| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 79.9 | Confident | 244 Ų | 244 | 107.3 Ų | 107.3 | 100% | 1.202 | 56% | 0.558 | S | S | * | * | 0 | 114.3 | 0 | -75.4 | -175.9 | -101 | 0 | 0 | 106.1 | D3 | M1-D3 PolarHBondContact O-N 2.95Š| |||
| 2 | E | 52.7 | Low | 81.2 | Confident | 190 Ų | 190 | 98.8 Ų | 98.8 | 89% | 0.888 | 51% | 0.513 | S | S | * | . | trans | -64.3 | 131.2 | 169.7 | -78 | 174.2 | 156.3 | 0 | 0 | 107.8 | K4 | E2-K4 PolarHBondContact O-N 3.08Å; E2-K4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | D | 59.8 | Low | 82.1 | Confident | 165 Ų | 165 | 93.1 Ų | 93.1 | 88% | 0.882 | 49% | 0.494 | S | S | * | . | trans | -54 | 117.1 | 176.6 | -94.9 | -28.9 | 0 | 0 | 0 | 109.5 | M1 K5 | M1-D3 PolarHBondContact O-N 2.95Å; D3-K5 PolarHBondContact O-N 2.96Å; D3-K5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | K | 76.3 | Confident | 82.9 | Confident | 145 Ų | 145 | 94.6 Ų | 94.6 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | trans | -67.7 | 113.2 | -179.9 | -69.5 | -176.1 | 169.5 | -159.7 | 0 | 108.9 | E2 E27 | E2-K4 PolarHBondContact O-N 3.08Å; E2-K4 VanDerWaalsContact O-N 3.08Å; K4-E27 VanDerWaalsContact CD-OE1 3.29Å; K4-E27 WeakPolarHBondContact CD-OE1 3.39Å; K4-E27 WeakPolarHBondContact CD-OE2 3.42Å; K4-E27 WeakPolarHBondContact CE-OE2 3.47Å; K4-E27 IonicContact NZ-OE1 3.85Å; K4-E27 PolarHBondContact NZ-OE1 2.82Å; K4-E27 IonicContact NZ-OE2 3.5Å; K4-E27 PolarHBondContact NZ-OE2 3.26Å | ||
| 5 | K | 88.1 | Confident | 83.5 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | trans | -68.7 | 148.5 | 177.4 | -69.3 | -172.7 | -179.6 | -178 | 0 | 111.5 | D3 L10 P28 V33 | D3-K5 PolarHBondContact O-N 2.96Å; D3-K5 VanDerWaalsContact O-N 3.13Å; K5-L10 HydrophobicContact CB-CD2 4.4Å; K5-L10 HydrophobicContact CD-CD2 4.05Å; K5-P28 WeakPolarHBondContact O-CD 3.46Å; K5-P28 WeakPolarHBondContact O-CG 3.35Å; K5-V33 HydrophobicContact CB-CG2 4.25Å; K5-V33 HydrophobicContact CD-CG1 3.75Å | ||
| 6 | T | 93.1 | Very high | 84.1 | Confident | 67 Ų | 67 | 89.2 Ų | 89.2 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | trans | -99.9 | 162.2 | 173 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | S8 Q9 L10 | T6-S8 VanDerWaalsContact C-N 3.27Å; T6-S8 PolarHBondContact O-N 3.49Å; T6-Q9 WeakPolarHBondContact O-CB 3.3Å; T6-Q9 PolarHBondContact O-N 3.13Å; T6-Q9 VanDerWaalsContact O-N 3.16Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.48Å; T6-Q9 PolarHBondContact OG1-N 3.08Å; T6-L10 WeakPolarHBondContact O-CG 3.49Å; T6-L10 PolarHBondContact O-N 3.31Å | ||
| 7 | F | 94 | Very high | 84.6 | Confident | 12 Ų | 12 | 87 Ų | 87 | 5% | 0.053 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35.5 | 175.2 | -75.8 | -75.9 | 0 | 0 | 0 | 113 | Q9 L10 I12 Q17 C20 W25 P28 L61 | F7-Q9 VanDerWaalsContact C-N 3.34Å; F7-Q9 PolarHBondContact O-N 3.16Å; F7-L10 WeakPolarHBondContact O-CB 3.43Å; F7-L10 PolarHBondContact O-N 3.16Å; F7-L10 VanDerWaalsContact O-N 3.08Å; F7-I12 HydrophobicContact CB-CB 4.37Å; F7-I12 HydrophobicContact CD1-CG1 4.47Å; F7-I12 WeakPolarHBondContact O-CB 3.46Å; F7-I12 PolarHBondContact O-N 3.16Å; F7-Q17 HydrophobicContact CB-CG 4.16Å; F7-C20 HydrophobicContact CD2-CB 4.34Å; F7-C20 HydrophobicContact CE2-CB 4.25Å; F7-W25 HydrophobicContact CE2-CB 4.13Å; F7-W25 WeakPolarHBondContact CE2-O 3.39Å; F7-W25 HydrophobicContact CZ-CB 4.2Å; F7-W25 HydrophobicContact CZ-CE3 4.5Å; F7-P28 HydrophobicContact CD1-CB 4.13Å; F7-P28 HydrophobicContact CE1-CB 3.78Å; F7-P28 HydrophobicContact CE2-CB 4.32Å; F7-P28 HydrophobicContact CZ-CB 3.88Å; F7-L61 HydrophobicContact CD1-CD1 3.91Å; F7-L61 HydrophobicContact CE1-CD1 3.59Å |
| 8 | S | 93.7 | Very high | 85.1 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -58.4 | -45.4 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | T6 L10 G11 | T6-S8 VanDerWaalsContact C-N 3.27Å; T6-S8 PolarHBondContact O-N 3.49Å; S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.16Å; S8-G11 PolarHBondContact O-N 3.08Å |
| 9 | Q | 94.1 | Very high | 85.5 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.8 | 176.7 | -70.6 | 171.4 | -20.8 | 0 | 0 | 113.7 | T6 F7 G11 | T6-Q9 WeakPolarHBondContact O-CB 3.3Å; T6-Q9 PolarHBondContact O-N 3.13Å; T6-Q9 VanDerWaalsContact O-N 3.16Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.48Å; T6-Q9 PolarHBondContact OG1-N 3.08Å; F7-Q9 VanDerWaalsContact C-N 3.34Å; F7-Q9 PolarHBondContact O-N 3.16Å; Q9-G11 VanDerWaalsContact C-N 3.32Å |
| 10 | L | 94.7 | Very high | 85.9 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -87.2 | -0.5 | 172.9 | -55.6 | -175.1 | 0 | 0 | 0 | 113 | K5 T6 F7 S8 P28 V33 I36 P37 L40 | K5-L10 HydrophobicContact CB-CD2 4.4Å; K5-L10 HydrophobicContact CD-CD2 4.05Å; T6-L10 WeakPolarHBondContact O-CG 3.49Å; T6-L10 PolarHBondContact O-N 3.31Å; F7-L10 WeakPolarHBondContact O-CB 3.43Å; F7-L10 PolarHBondContact O-N 3.16Å; F7-L10 VanDerWaalsContact O-N 3.08Å; S8-L10 PolarHBondContact O-N 3.33Å; S8-L10 VanDerWaalsContact O-N 3.16Å; L10-P28 HydrophobicContact CD1-CB 3.58Å; L10-P28 HydrophobicContact CD1-CG 3.89Å; L10-V33 HydrophobicContact CD1-CG2 4.33Å; L10-V33 HydrophobicContact CD2-CB 4.48Å; L10-V33 HydrophobicContact CD2-CG1 4.47Å; L10-V33 HydrophobicContact CD2-CG2 4.39Å; L10-I36 HydrophobicContact CB-CB 4.4Å; L10-I36 HydrophobicContact CB-CG2 3.95Å; L10-I36 HydrophobicContact CD1-CB 4.39Å; L10-I36 HydrophobicContact CD1-CD1 3.97Å; L10-P37 HydrophobicContact CD2-CG 4.21Å; L10-L40 VanDerWaalsContact O-CD1 3.3Å; L10-L40 WeakPolarHBondContact O-CD1 3.49Å |
| 11 | G | 93.9 | Very high | 86.1 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 16.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S8 Q9 | S8-G11 PolarHBondContact O-N 3.08Å; Q9-G11 VanDerWaalsContact C-N 3.32Å |
| 12 | I | 95.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | trans | -82.4 | 129.4 | 177.4 | -59.4 | -57.7 | 0 | 0 | 0 | 110.3 | F7 L16 Q17 I36 L40 L61 | F7-I12 HydrophobicContact CB-CB 4.37Å; F7-I12 HydrophobicContact CD1-CG1 4.47Å; F7-I12 WeakPolarHBondContact O-CB 3.46Å; F7-I12 PolarHBondContact O-N 3.16Å; I12-L16 HydrophobicContact CG2-CB 3.47Å; I12-L16 VanDerWaalsContact CG2-CB 3.47Å; I12-L16 HydrophobicContact CG2-CD1 4.33Å; I12-Q17 HydrophobicContact CB-CG 4.47Å; I12-Q17 HydrophobicContact CG2-CG 4.13Å; I12-Q17 PolarHBondContact O-NE2 3.27Å; I12-I36 HydrophobicContact CD1-CG2 3.67Å; I12-I36 HydrophobicContact CG1-CG2 4.11Å; I12-L40 HydrophobicContact CD1-CD1 4.25Å; I12-L61 HydrophobicContact CD1-CB 3.85Å; I12-L61 HydrophobicContact CG2-CD2 4.45Å | ||
| 13 | G | 93 | Very high | 90.3 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | trans | -70.5 | 160.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | E15 L16 Q17 | G13-E15 VanDerWaalsContact C-N 3.3Å; G13-E15 PolarHBondContact O-N 3.48Å; G13-L16 PolarHBondContact O-N 3.36Å; G13-L16 VanDerWaalsContact O-N 3.12Å; G13-Q17 WeakPolarHBondContact O-CG 3.5Å; G13-Q17 PolarHBondContact O-N 3.12Å | ||
| 14 | D | 92.8 | Very high | 91.7 | Very high | 114 Ų | 114 | 72.1 Ų | 72.1 | 61% | 0.61 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.3 | -34.5 | -169.5 | -63.8 | -20.1 | 0 | 0 | 0 | 114.2 | L16 Q17 K18 | D14-L16 PolarHBondContact O-N 3.27Å; D14-Q17 PolarHBondContact O-N 3.22Å; D14-Q17 PolarHBondContact OD1-NE2 2.97Å; D14-Q17 VanDerWaalsContact OD1-NE2 3.08Å; D14-K18 WeakPolarHBondContact O-CG 3.47Å; D14-K18 PolarHBondContact O-N 3.02Å |
| 15 | E | 91.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177 | -64.2 | -172.1 | 172.4 | 0 | 0 | 112.1 | G13 K18 A19 L68 | G13-E15 VanDerWaalsContact C-N 3.3Å; G13-E15 PolarHBondContact O-N 3.48Å; E15-K18 PolarHBondContact O-N 3.28Å; E15-A19 PolarHBondContact O-N 3.1Å; E15-A19 VanDerWaalsContact O-N 3.1Å; E15-L68 WeakPolarHBondContact OE2-CD2 3.41Å |
| 16 | L | 93.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74.4 | -32.8 | 177.7 | -71.7 | 179 | 0 | 0 | 0 | 112 | I12 G13 D14 K18 A19 C20 L61 I64 Q65 L68 | I12-L16 HydrophobicContact CG2-CB 3.47Å; I12-L16 VanDerWaalsContact CG2-CB 3.47Å; I12-L16 HydrophobicContact CG2-CD1 4.33Å; G13-L16 PolarHBondContact O-N 3.36Å; G13-L16 VanDerWaalsContact O-N 3.12Å; D14-L16 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 2.93Å; L16-A19 WeakPolarHBondContact O-CB 3.27Å; L16-A19 PolarHBondContact O-N 3.38Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 2.85Å; L16-L61 HydrophobicContact CB-CD2 4.21Å; L16-L61 HydrophobicContact CD1-CD2 4.38Å; L16-I64 HydrophobicContact CD1-CB 4.31Å; L16-I64 HydrophobicContact CD1-CG2 4.29Å; L16-I64 HydrophobicContact CD2-CB 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.63Å; L16-I64 HydrophobicContact CG-CG2 4.49Å; L16-Q65 HydrophobicContact CD1-CB 3.83Å; L16-L68 HydrophobicContact CD1-CD1 4.31Å; L16-L68 HydrophobicContact CG-CD1 4.22Å |
| 17 | Q | 93.7 | Very high | 92.2 | Very high | 52 Ų | 52 | 73.3 Ų | 73.3 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 171.6 | -68 | 178.8 | 61.9 | 0 | 0 | 111.4 | F7 I12 G13 D14 A19 C20 H21 | F7-Q17 HydrophobicContact CB-CG 4.16Å; I12-Q17 HydrophobicContact CB-CG 4.47Å; I12-Q17 HydrophobicContact CG2-CG 4.13Å; I12-Q17 PolarHBondContact O-NE2 3.27Å; G13-Q17 WeakPolarHBondContact O-CG 3.5Å; G13-Q17 PolarHBondContact O-N 3.12Å; D14-Q17 PolarHBondContact O-N 3.22Å; D14-Q17 PolarHBondContact OD1-NE2 2.97Å; D14-Q17 VanDerWaalsContact OD1-NE2 3.08Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 2.92Å; Q17-C20 WeakPolarHBondContact O-CB 3.41Å; Q17-C20 PolarHBondContact O-N 3.3Å; Q17-H21 PolarHBondContact O-N 3.05Å |
| 18 | K | 92.6 | Very high | 92.2 | Very high | 144 Ų | 144 | 73.4 Ų | 73.4 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 173 | -70.9 | 171.5 | -175.3 | 175.4 | 0 | 111.5 | D14 E15 L16 H21 N22 | D14-K18 WeakPolarHBondContact O-CG 3.47Å; D14-K18 PolarHBondContact O-N 3.02Å; E15-K18 PolarHBondContact O-N 3.28Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 2.93Å; K18-H21 PolarHBondContact O-N 3.29Å; K18-N22 VanDerWaalsContact O-CG 3.24Å; K18-N22 PolarHBondContact O-N 3.48Å; K18-N22 PolarHBondContact O-ND2 3.2Å |
| 19 | A | 92.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 72.7 Ų | 72.7 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E15 L16 Q17 N22 L23 L96 | E15-A19 PolarHBondContact O-N 3.1Å; E15-A19 VanDerWaalsContact O-N 3.1Å; L16-A19 WeakPolarHBondContact O-CB 3.27Å; L16-A19 PolarHBondContact O-N 3.38Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 2.92Å; A19-N22 PolarHBondContact O-N 3.31Å; A19-L23 WeakPolarHBondContact O-CG 3.48Å; A19-L23 PolarHBondContact O-N 2.99Å; A19-L96 HydrophobicContact CB-CD2 4.41Å |
| 20 | C | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 173.1 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | F7 L16 Q17 N22 L23 Q24 W25 | F7-C20 HydrophobicContact CD2-CB 4.34Å; F7-C20 HydrophobicContact CE2-CB 4.25Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 2.85Å; Q17-C20 WeakPolarHBondContact O-CB 3.41Å; Q17-C20 PolarHBondContact O-N 3.3Å; C20-N22 VanDerWaalsContact C-N 3.34Å; C20-N22 PolarHBondContact O-N 3.48Å; C20-L23 CarbonylContact O-C 3.49Å; C20-L23 WeakPolarHBondContact O-CA 3.35Å; C20-L23 PolarHBondContact O-N 3.42Å; C20-L23 VanDerWaalsContact O-N 3.13Å; C20-Q24 PolarHBondContact O-N 3.21Å; C20-W25 HydrophobicContact CB-CB 4.08Å; C20-W25 HydrophobicContact CB-CE3 4.5Å; C20-W25 WeakPolarHBondContact O-CB 3.43Å; C20-W25 PolarHBondContact O-N 3.04Å |
| 21 | H | 91.5 | Very high | 92 | Very high | 134 Ų | 134 | 69.4 Ų | 69.4 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 177.3 | -177.5 | -91.9 | 0 | 0 | 0 | 111.9 | Q17 K18 L23 Q24 | Q17-H21 PolarHBondContact O-N 3.05Å; K18-H21 PolarHBondContact O-N 3.29Å; H21-L23 PolarHBondContact O-N 3.46Å; H21-Q24 WeakPolarHBondContact O-CA 3.44Å; H21-Q24 PolarHBondContact O-N 3.5Å |
| 22 | N | 90.3 | Very high | 92.1 | Very high | 126 Ų | 126 | 67.2 Ų | 67.2 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -30.2 | 176.3 | -68.2 | -18.6 | 0 | 0 | 0 | 112.9 | K18 A19 C20 Q24 | K18-N22 VanDerWaalsContact O-CG 3.24Å; K18-N22 PolarHBondContact O-N 3.48Å; K18-N22 PolarHBondContact O-ND2 3.2Å; A19-N22 PolarHBondContact O-N 3.31Å; C20-N22 VanDerWaalsContact C-N 3.34Å; C20-N22 PolarHBondContact O-N 3.48Å; N22-Q24 PolarHBondContact O-N 3.47Å |
| 23 | L | 88.3 | Confident | 92.1 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.8 | 172.4 | -72.4 | 166.9 | 0 | 0 | 0 | 113.4 | A19 C20 H21 W25 A95 L96 | A19-L23 WeakPolarHBondContact O-CG 3.48Å; A19-L23 PolarHBondContact O-N 2.99Å; C20-L23 CarbonylContact O-C 3.49Å; C20-L23 WeakPolarHBondContact O-CA 3.35Å; C20-L23 PolarHBondContact O-N 3.42Å; C20-L23 VanDerWaalsContact O-N 3.13Å; H21-L23 PolarHBondContact O-N 3.46Å; L23-W25 HydrophobicContact CB-CD2 4.35Å; L23-W25 HydrophobicContact CB-CG 4.23Å; L23-W25 HydrophobicContact CD1-CZ2 4.48Å; L23-W25 PolarHBondContact O-N 3.12Å; L23-A95 HydrophobicContact CD1-CB 3.9Å; L23-A95 HydrophobicContact CD2-CB 3.6Å; L23-A95 HydrophobicContact CG-CB 4.22Å; L23-L96 HydrophobicContact CD1-CD2 3.55Å; L23-L96 HydrophobicContact CD1-CG 3.77Å |
| 24 | Q | 90 | Very high | 92.3 | Very high | 163 Ų | 163 | 70.9 Ų | 70.9 | 76% | 0.762 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 24.4 | -176.6 | -54.5 | 179.5 | -18.4 | 0 | 0 | 113.6 | C20 H21 N22 K26 | C20-Q24 PolarHBondContact O-N 3.21Å; H21-Q24 WeakPolarHBondContact O-CA 3.44Å; H21-Q24 PolarHBondContact O-N 3.5Å; N22-Q24 PolarHBondContact O-N 3.47Å; Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 3.01Å |
| 25 | W | 90 | Very high | 92.4 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | trans | -82.5 | 80.8 | 171.5 | -62.9 | 2.2 | 0 | 0 | 0 | 108.4 | F7 C20 L23 L96 | F7-W25 HydrophobicContact CE2-CB 4.13Å; F7-W25 WeakPolarHBondContact CE2-O 3.39Å; F7-W25 HydrophobicContact CZ-CB 4.2Å; F7-W25 HydrophobicContact CZ-CE3 4.5Å; C20-W25 HydrophobicContact CB-CB 4.08Å; C20-W25 HydrophobicContact CB-CE3 4.5Å; C20-W25 WeakPolarHBondContact O-CB 3.43Å; C20-W25 PolarHBondContact O-N 3.04Å; L23-W25 HydrophobicContact CB-CD2 4.35Å; L23-W25 HydrophobicContact CB-CG 4.23Å; L23-W25 HydrophobicContact CD1-CZ2 4.48Å; L23-W25 PolarHBondContact O-N 3.12Å; W25-L96 HydrophobicContact CE3-CD2 4.35Å; W25-L96 HydrophobicContact CH2-CD1 3.92Å; W25-L96 HydrophobicContact CH2-CD2 4.27Å; W25-L96 HydrophobicContact CH2-CG 4.41Å; W25-L96 HydrophobicContact CZ3-CD1 3.98Å; W25-L96 HydrophobicContact CZ3-CD2 3.82Å; W25-L96 HydrophobicContact CZ3-CG 4.39Å | ||
| 26 | K | 86.2 | Confident | 92.7 | Very high | 178 Ų | 178 | 60.6 Ų | 60.6 | 77% | 0.774 | 30% | 0.303 | S | S | * | . | trans | -67.6 | -38.8 | -177.5 | -64.3 | -175.5 | 177.7 | -175.8 | 0 | 112.4 | Q24 | Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 3.01Å | ||
| 27 | E | 90.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -135 | 142.3 | -175.5 | -63.8 | 175.2 | 177.2 | 0 | 0 | 109.8 | K4 | K4-E27 VanDerWaalsContact CD-OE1 3.29Å; K4-E27 WeakPolarHBondContact CD-OE1 3.39Å; K4-E27 WeakPolarHBondContact CD-OE2 3.42Å; K4-E27 WeakPolarHBondContact CE-OE2 3.47Å; K4-E27 IonicContact NZ-OE1 3.85Å; K4-E27 PolarHBondContact NZ-OE1 2.82Å; K4-E27 IonicContact NZ-OE2 3.5Å; K4-E27 PolarHBondContact NZ-OE2 3.26Å |
| 28 | P | 93.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | trans | -67.7 | 140.1 | 174.7 | 29.1 | -34.3 | 0 | 0 | 0 | 111.1 | K5 F7 L10 Q32 V33 | K5-P28 WeakPolarHBondContact O-CD 3.46Å; K5-P28 WeakPolarHBondContact O-CG 3.35Å; F7-P28 HydrophobicContact CD1-CB 4.13Å; F7-P28 HydrophobicContact CE1-CB 3.78Å; F7-P28 HydrophobicContact CE2-CB 4.32Å; F7-P28 HydrophobicContact CZ-CB 3.88Å; L10-P28 HydrophobicContact CD1-CB 3.58Å; L10-P28 HydrophobicContact CD1-CG 3.89Å; P28-Q32 VanDerWaalsContact CA-OE1 3.28Å; P28-Q32 HydrophobicContact CB-CB 4.14Å; P28-V33 HydrophobicContact CB-CG2 4.02Å; P28-V33 HydrophobicContact CG-CG2 3.87Å | ||
| 29 | T | 92.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | trans | -72.9 | 161.7 | 175.9 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | I31 Q32 V33 S53 | T29-I31 PolarHBondContact O-N 3.17Å; T29-I31 VanDerWaalsContact O-N 3.15Å; T29-I31 WeakPolarHBondContact OG1-CG2 3.38Å; T29-Q32 WeakPolarHBondContact O-CA 3.44Å; T29-Q32 WeakPolarHBondContact O-CB 3.29Å; T29-Q32 PolarHBondContact O-N 3.11Å; T29-Q32 VanDerWaalsContact OG1-CD 3.31Å; T29-Q32 VanDerWaalsContact OG1-CG 3.29Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.35Å; T29-V33 PolarHBondContact O-N 3.36Å; T29-S53 WeakPolarHBondContact CB-O 3.37Å; T29-S53 PolarHBondContact OG1-O 3.13Å | ||
| 30 | A | 92.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.6 | -38.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L34 T213 | A30-L34 VanDerWaalsContact O-CG 3.3Å; A30-L34 WeakPolarHBondContact O-CG 3.33Å; A30-L34 PolarHBondContact O-N 3.18Å; A30-T213 HydrophobicContact CB-CG2 3.89Å |
| 31 | I | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 177 | -166.4 | 57.7 | 0 | 0 | 0 | 112 | T29 L34 S35 A47 A49 S53 K55 A58 F189 V211 T213 | T29-I31 PolarHBondContact O-N 3.17Å; T29-I31 VanDerWaalsContact O-N 3.15Å; T29-I31 WeakPolarHBondContact OG1-CG2 3.38Å; I31-L34 PolarHBondContact O-N 2.84Å; I31-S35 WeakPolarHBondContact O-CB 3.24Å; I31-S35 PolarHBondContact O-N 2.86Å; I31-S35 PolarHBondContact O-OG 3.31Å; I31-A47 HydrophobicContact CD1-CB 4.03Å; I31-A49 HydrophobicContact CB-CB 3.98Å; I31-A49 HydrophobicContact CD1-CB 3.91Å; I31-A49 HydrophobicContact CG1-CB 3.76Å; I31-S53 WeakPolarHBondContact CG2-O 3.37Å; I31-K55 HydrophobicContact CG1-CG 4.49Å; I31-K55 HydrophobicContact CG2-CG 4.37Å; I31-A58 HydrophobicContact CG2-CB 4.33Å; I31-F189 HydrophobicContact CG1-CE1 4.4Å; I31-V211 HydrophobicContact CD1-CG2 3.91Å; I31-T213 HydrophobicContact CB-CG2 3.78Å; I31-T213 HydrophobicContact CD1-CG2 4.02Å; I31-T213 HydrophobicContact CG1-CG2 4.47Å |
| 32 | Q | 96.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.8 | -69.8 | 168.2 | -2.3 | 0 | 0 | 111.1 | P28 T29 L34 S35 I36 G54 A58 | P28-Q32 VanDerWaalsContact CA-OE1 3.28Å; P28-Q32 HydrophobicContact CB-CB 4.14Å; T29-Q32 WeakPolarHBondContact O-CA 3.44Å; T29-Q32 WeakPolarHBondContact O-CB 3.29Å; T29-Q32 PolarHBondContact O-N 3.11Å; T29-Q32 VanDerWaalsContact OG1-CD 3.31Å; T29-Q32 VanDerWaalsContact OG1-CG 3.29Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.35Å; Q32-L34 VanDerWaalsContact C-N 3.26Å; Q32-L34 PolarHBondContact O-N 2.75Å; Q32-S35 PolarHBondContact O-N 3.25Å; Q32-I36 HydrophobicContact CB-CD1 3.77Å; Q32-I36 HydrophobicContact CB-CG1 4.38Å; Q32-I36 HydrophobicContact CG-CD1 4.29Å; Q32-I36 VanDerWaalsContact O-CB 3.25Å; Q32-I36 WeakPolarHBondContact O-CB 3.03Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.11Å; Q32-I36 PolarHBondContact O-N 3.4Å; Q32-G54 PolarHBondContact NE2-O 3.04Å; Q32-A58 HydrophobicContact CB-CB 4.46Å; Q32-A58 HydrophobicContact CG-CB 3.73Å |
| 33 | V | 96.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 174.5 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | K5 L10 P28 T29 P37 | K5-V33 HydrophobicContact CB-CG2 4.25Å; K5-V33 HydrophobicContact CD-CG1 3.75Å; L10-V33 HydrophobicContact CD1-CG2 4.33Å; L10-V33 HydrophobicContact CD2-CB 4.48Å; L10-V33 HydrophobicContact CD2-CG1 4.47Å; L10-V33 HydrophobicContact CD2-CG2 4.39Å; P28-V33 HydrophobicContact CB-CG2 4.02Å; P28-V33 HydrophobicContact CG-CG2 3.87Å; T29-V33 PolarHBondContact O-N 3.36Å; V33-P37 WeakPolarHBondContact O-CD 3.33Å |
| 34 | L | 95.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.4 | -34.8 | -177.6 | -65.7 | 172.4 | 0 | 0 | 0 | 113 | A30 I31 Q32 P38 V211 T213 | A30-L34 VanDerWaalsContact O-CG 3.3Å; A30-L34 WeakPolarHBondContact O-CG 3.33Å; A30-L34 PolarHBondContact O-N 3.18Å; I31-L34 PolarHBondContact O-N 2.84Å; Q32-L34 VanDerWaalsContact C-N 3.26Å; Q32-L34 PolarHBondContact O-N 2.75Å; L34-P38 WeakPolarHBondContact O-CD 3.47Å; L34-P38 WeakPolarHBondContact O-CG 3.31Å; L34-V211 HydrophobicContact CB-CB 3.92Å; L34-V211 HydrophobicContact CB-CG1 4.03Å; L34-V211 HydrophobicContact CB-CG2 4.35Å; L34-T213 HydrophobicContact CD1-CG2 4.25Å |
| 35 | S | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -98.6 | -28.2 | -170.2 | 75.5 | 0 | 0 | 0 | 0 | 114.8 | I31 Q32 P38 A39 L45 A58 | I31-S35 WeakPolarHBondContact O-CB 3.24Å; I31-S35 PolarHBondContact O-N 2.86Å; I31-S35 PolarHBondContact O-OG 3.31Å; Q32-S35 PolarHBondContact O-N 3.25Å; S35-P38 WeakPolarHBondContact O-CD 3.49Å; S35-P38 WeakPolarHBondContact O-CG 3.5Å; S35-A39 VanDerWaalsContact O-CB 3.31Å; S35-A39 WeakPolarHBondContact O-CB 3.2Å; S35-A39 PolarHBondContact O-N 2.89Å; S35-A39 VanDerWaalsContact O-N 3.17Å; S35-L45 WeakPolarHBondContact O-CD1 3.41Å; S35-A58 VanDerWaalsContact OG-CB 3.24Å; S35-A58 WeakPolarHBondContact OG-CB 3.35Å |
| 36 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -50.5 | -174.9 | -70.8 | 174 | 0 | 0 | 0 | 111.9 | L10 I12 Q32 A39 L40 L61 | L10-I36 HydrophobicContact CB-CB 4.4Å; L10-I36 HydrophobicContact CB-CG2 3.95Å; L10-I36 HydrophobicContact CD1-CB 4.39Å; L10-I36 HydrophobicContact CD1-CD1 3.97Å; I12-I36 HydrophobicContact CD1-CG2 3.67Å; I12-I36 HydrophobicContact CG1-CG2 4.11Å; Q32-I36 HydrophobicContact CB-CD1 3.77Å; Q32-I36 HydrophobicContact CB-CG1 4.38Å; Q32-I36 HydrophobicContact CG-CD1 4.29Å; Q32-I36 VanDerWaalsContact O-CB 3.25Å; Q32-I36 WeakPolarHBondContact O-CB 3.03Å; Q32-I36 VanDerWaalsContact O-CG1 3.25Å; Q32-I36 WeakPolarHBondContact O-CG1 3.11Å; Q32-I36 PolarHBondContact O-N 3.4Å; I36-A39 WeakPolarHBondContact O-CB 3.4Å; I36-A39 PolarHBondContact O-N 3.36Å; I36-A39 VanDerWaalsContact O-N 3.13Å; I36-L40 HydrophobicContact CG2-CD1 3.91Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 WeakPolarHBondContact O-CG 3.43Å; I36-L40 PolarHBondContact O-N 3.46Å; I36-L61 HydrophobicContact CD1-CB 4.39Å; I36-L61 HydrophobicContact CD1-CD1 3.75Å |
| 37 | P | 97.2 | Very high | 95.5 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -53.1 | -179.7 | -24.6 | 34 | 0 | 0 | 0 | 114 | L10 V33 A39 L40 E41 | L10-P37 HydrophobicContact CD2-CG 4.21Å; V33-P37 WeakPolarHBondContact O-CD 3.33Å; P37-A39 VanDerWaalsContact C-N 3.26Å; P37-A39 PolarHBondContact O-N 3.3Å; P37-L40 PolarHBondContact O-N 3.2Å; P37-L40 VanDerWaalsContact O-N 3.12Å; P37-E41 WeakPolarHBondContact O-CG 3.42Å; P37-E41 PolarHBondContact O-N 3.19Å; P37-E41 VanDerWaalsContact O-N 3.11Å |
| 38 | P | 96.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -26.1 | 178.3 | 27 | -35.8 | 0 | 0 | 0 | 113.2 | L34 S35 G42 R43 L45 V209 | L34-P38 WeakPolarHBondContact O-CD 3.47Å; L34-P38 WeakPolarHBondContact O-CG 3.31Å; S35-P38 WeakPolarHBondContact O-CD 3.49Å; S35-P38 WeakPolarHBondContact O-CG 3.5Å; P38-G42 PolarHBondContact O-N 3.06Å; P38-R43 HydrophobicContact CB-CB 4.38Å; P38-R43 WeakPolarHBondContact O-CB 3.44Å; P38-R43 PolarHBondContact O-N 3.29Å; P38-L45 HydrophobicContact CB-CD2 3.91Å; P38-L45 HydrophobicContact CG-CD2 3.63Å; P38-V209 HydrophobicContact CB-CB 4.33Å; P38-V209 HydrophobicContact CB-CG1 4.16Å; P38-V209 HydrophobicContact CB-CG2 4.26Å; P38-V209 HydrophobicContact CG-CG1 4.26Å |
| 39 | A | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | S35 I36 P37 E41 G42 L45 P62 K66 Q185 F187 | S35-A39 VanDerWaalsContact O-CB 3.31Å; S35-A39 WeakPolarHBondContact O-CB 3.2Å; S35-A39 PolarHBondContact O-N 2.89Å; S35-A39 VanDerWaalsContact O-N 3.17Å; I36-A39 WeakPolarHBondContact O-CB 3.4Å; I36-A39 PolarHBondContact O-N 3.36Å; I36-A39 VanDerWaalsContact O-N 3.13Å; P37-A39 VanDerWaalsContact C-N 3.26Å; P37-A39 PolarHBondContact O-N 3.3Å; A39-E41 VanDerWaalsContact C-N 3.34Å; A39-G42 PolarHBondContact O-N 3Å; A39-L45 HydrophobicContact CB-CD1 3.63Å; A39-P62 HydrophobicContact CB-CB 3.58Å; A39-P62 HydrophobicContact CB-CG 3.56Å; A39-K66 PolarHBondContact O-NZ 3.36Å; A39-Q185 PolarHBondContact O-NE2 3.2Å; A39-F187 HydrophobicContact CB-CE1 4.15Å; A39-F187 HydrophobicContact CB-CE2 4.44Å; A39-F187 HydrophobicContact CB-CZ 3.75Å |
| 40 | L | 96.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.8 | -35.8 | 178.2 | -68.3 | 176.7 | 0 | 0 | 0 | 111.9 | L10 I12 I36 P37 G42 P62 Q65 | L10-L40 VanDerWaalsContact O-CD1 3.3Å; L10-L40 WeakPolarHBondContact O-CD1 3.49Å; I12-L40 HydrophobicContact CD1-CD1 4.25Å; I36-L40 HydrophobicContact CG2-CD1 3.91Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 WeakPolarHBondContact O-CG 3.43Å; I36-L40 PolarHBondContact O-N 3.46Å; P37-L40 PolarHBondContact O-N 3.2Å; P37-L40 VanDerWaalsContact O-N 3.12Å; L40-G42 PolarHBondContact O-N 2.92Å; L40-G42 VanDerWaalsContact O-N 3.16Å; L40-P62 HydrophobicContact CD2-CB 3.76Å; L40-P62 HydrophobicContact CG-CB 4.21Å; L40-Q65 HydrophobicContact CD2-CB 4.04Å; L40-Q65 HydrophobicContact CD2-CG 3.87Å |
| 41 | E | 95.6 | Very high | 93.2 | Very high | 141 Ų | 141 | 30.8 Ų | 30.8 | 66% | 0.659 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.5 | 173.4 | -68.8 | 168.4 | -166.5 | 0 | 0 | 113.9 | P37 A39 R43 | P37-E41 WeakPolarHBondContact O-CG 3.42Å; P37-E41 PolarHBondContact O-N 3.19Å; P37-E41 VanDerWaalsContact O-N 3.11Å; A39-E41 VanDerWaalsContact C-N 3.34Å; E41-R43 HydrophobicContact CB-CG 4.3Å |
| 42 | G | 95.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 10.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P38 A39 L40 Q185 | P38-G42 PolarHBondContact O-N 3.06Å; A39-G42 PolarHBondContact O-N 3Å; L40-G42 PolarHBondContact O-N 2.92Å; L40-G42 VanDerWaalsContact O-N 3.16Å; G42-Q185 VanDerWaalsContact CA-NE2 3.28Å |
| 43 | R | 97.1 | Very high | 91.4 | Very high | 98 Ų | 98 | 34.5 Ų | 34.5 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | trans | -78.3 | 148.6 | 179.1 | -57.8 | -63.4 | -63.4 | -80 | 5.9 | 112.1 | P38 E41 Q185 D207 V209 | P38-R43 HydrophobicContact CB-CB 4.38Å; P38-R43 WeakPolarHBondContact O-CB 3.44Å; P38-R43 PolarHBondContact O-N 3.29Å; E41-R43 HydrophobicContact CB-CG 4.3Å; R43-Q185 PolarHBondContact O-NE2 2.86Å; R43-D207 IonicContact CZ-OD2 3.66Å; R43-D207 IonicContact NH2-OD2 3.67Å; R43-D207 PolarHBondContact NH2-OD2 3.27Å; R43-V209 HydrophobicContact CB-CG2 3.91Å; R43-V209 HydrophobicContact CG-CG2 4.23Å | ||
| 44 | N | 97.3 | Very high | 91 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 151.1 | 169.3 | -67.2 | -41 | 0 | 0 | 0 | 110.6 | Q185 T186 I205 L206 P208 V209 | N44-Q185 WeakPolarHBondContact OD1-CA 3.43Å; N44-T186 WeakPolarHBondContact CA-O 3.3Å; N44-T186 PolarHBondContact OD1-N 3.27Å; N44-I205 HydrophobicContact CB-CG2 3.59Å; N44-L206 WeakPolarHBondContact CB-O 3.48Å; N44-L206 PolarHBondContact ND2-O 3.13Å; N44-P208 HydrophobicContact CB-CB 4.32Å; N44-P208 WeakPolarHBondContact O-CA 3.48Å; N44-V209 PolarHBondContact O-N 3.43Å |
| 45 | L | 96.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.3 | -173.7 | -69 | 170.4 | 0 | 0 | 0 | 113.5 | S35 P38 A39 T186 F187 L188 V209 | S35-L45 WeakPolarHBondContact O-CD1 3.41Å; P38-L45 HydrophobicContact CB-CD2 3.91Å; P38-L45 HydrophobicContact CG-CD2 3.63Å; A39-L45 HydrophobicContact CB-CD1 3.63Å; L45-T186 PolarHBondContact N-O 3.18Å; L45-F187 HydrophobicContact CB-CB 4.45Å; L45-F187 HydrophobicContact CB-CD1 3.74Å; L45-F187 HydrophobicContact CB-CE1 4.41Å; L45-F187 HydrophobicContact CB-CG 4.42Å; L45-F187 HydrophobicContact CD1-CD1 3.77Å; L45-F187 HydrophobicContact CD1-CE1 3.75Å; L45-F187 HydrophobicContact CD1-CG 4.44Å; L45-F187 HydrophobicContact CD1-CZ 4.45Å; L45-F187 HydrophobicContact CG-CD1 3.93Å; L45-F187 HydrophobicContact CG-CE1 4.1Å; L45-F187 WeakPolarHBondContact O-CA 3.43Å; L45-L188 PolarHBondContact O-N 3.44Å; L45-V209 WeakPolarHBondContact CA-O 3.43Å; L45-V209 HydrophobicContact CD2-CB 3.86Å; L45-V209 HydrophobicContact CD2-CG1 4.18Å |
| 46 | V | 95.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 110.5 | 163.2 | 171.6 | 0 | 0 | 0 | 0 | 107.5 | L188 M193 Q201 I205 P208 V209 R210 V211 | V46-L188 CarbonylContact C-O 3.55Å; V46-L188 WeakPolarHBondContact CA-O 3.32Å; V46-L188 HydrophobicContact CG1-CD2 4.43Å; V46-L188 HydrophobicContact CG2-CB 4.43Å; V46-M193 HydrophobicContact CG1-CE 3.5Å; V46-Q201 HydrophobicContact CG2-CG 3.67Å; V46-I205 HydrophobicContact CG2-CD1 3.91Å; V46-P208 HydrophobicContact CB-CB 4.33Å; V46-P208 HydrophobicContact CG2-CB 3.64Å; V46-P208 HydrophobicContact CG2-CG 3.78Å; V46-V209 PolarHBondContact N-O 3.35Å; V46-R210 HydrophobicContact CB-CG 4.07Å; V46-R210 HydrophobicContact CG1-CG 4.42Å; V46-R210 WeakPolarHBondContact O-CA 3.32Å; V46-V211 PolarHBondContact O-N 3.38Å |
| 47 | A | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I31 L188 F189 S190 V211 | I31-A47 HydrophobicContact CD1-CB 4.03Å; A47-L188 PolarHBondContact N-O 2.92Å; A47-F189 HydrophobicContact CB-CD1 3.35Å; A47-F189 HydrophobicContact CB-CE1 3.28Å; A47-F189 HydrophobicContact CB-CE2 4.46Å; A47-F189 HydrophobicContact CB-CG 4.02Å; A47-F189 HydrophobicContact CB-CZ 3.88Å; A47-F189 WeakPolarHBondContact O-CA 3.24Å; A47-S190 PolarHBondContact O-N 2.7Å; A47-V211 WeakPolarHBondContact CA-O 3.42Å; A47-V211 HydrophobicContact CB-CG2 3.78Å |
| 48 | L | 91.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109.4 | 176.8 | -62 | -178.2 | 0 | 0 | 0 | 110.6 | S190 M193 V211 S212 T213 | L48-S190 WeakPolarHBondContact CA-O 3.33Å; L48-M193 HydrophobicContact CD1-CB 4.03Å; L48-M193 HydrophobicContact CD1-CE 4.35Å; L48-M193 HydrophobicContact CD2-CB 4.36Å; L48-M193 HydrophobicContact CD2-CE 4.12Å; L48-V211 PolarHBondContact N-O 2.92Å; L48-S212 WeakPolarHBondContact O-CA 3.48Å; L48-T213 PolarHBondContact O-N 2.83Å; L48-T213 PolarHBondContact O-OG1 3.33Å |
| 49 | A | 85.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -153.7 | 150.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I31 S53 K55 S190 A191 T213 | I31-A49 HydrophobicContact CB-CB 3.98Å; I31-A49 HydrophobicContact CD1-CB 3.91Å; I31-A49 HydrophobicContact CG1-CB 3.76Å; A49-S53 WeakPolarHBondContact CB-OG 3.25Å; A49-K55 HydrophobicContact CB-CD 4.09Å; A49-K55 HydrophobicContact CB-CG 4.12Å; A49-K55 WeakPolarHBondContact O-CE 3.25Å; A49-K55 PolarHBondContact O-NZ 3.44Å; A49-S190 PolarHBondContact N-O 3.13Å; A49-A191 WeakPolarHBondContact O-CA 3.38Å; A49-T213 WeakPolarHBondContact CA-OG1 3.4Å; A49-T213 HydrophobicContact CB-CG2 4.35Å; A49-T213 VanDerWaalsContact CB-OG1 3.23Å; A49-T213 WeakPolarHBondContact CB-OG1 2.81Å | ||
| 50 | E | 74.2 | Confident | 90.6 | Very high | 70 Ų | 70 | 29.5 Ų | 29.5 | 33% | 0.327 | 18% | 0.176 | S | C | . | . | trans | -66.4 | 164.5 | 179.2 | 62.4 | -178.7 | -172.4 | 0 | 0 | 113.1 | S53 K55 | E50-S53 WeakPolarHBondContact O-CB 3.29Å; E50-S53 PolarHBondContact O-N 2.81Å; E50-S53 PolarHBondContact O-OG 3.34Å; E50-K55 VanDerWaalsContact O-CE 3.32Å; E50-K55 WeakPolarHBondContact O-CE 3.31Å | ||
| 51 | T | 70.7 | Confident | 90.6 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 14% | 0.135 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 136 | 173.8 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | S53 R373 | T51-S53 VanDerWaalsContact C-N 3.34Å; T51-R373 PolarHBondContact O-NH1 3.04Å; T51-R373 PolarHBondContact OG1-NH2 3.32Å |
| 52 | G | 71.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 20.5 Ų | 20.5 | 68% | 0.68 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -2.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G54 | G52-G54 PolarHBondContact O-N 3.3Å; G52-G54 VanDerWaalsContact O-N 3.13Å |
| 53 | S | 80 | Confident | 90.8 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -72 | 1.9 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | T29 I31 A49 E50 T51 K55 | T29-S53 WeakPolarHBondContact CB-O 3.37Å; T29-S53 PolarHBondContact OG1-O 3.13Å; I31-S53 WeakPolarHBondContact CG2-O 3.37Å; A49-S53 WeakPolarHBondContact CB-OG 3.25Å; E50-S53 WeakPolarHBondContact O-CB 3.29Å; E50-S53 PolarHBondContact O-N 2.81Å; E50-S53 PolarHBondContact O-OG 3.34Å; T51-S53 VanDerWaalsContact C-N 3.34Å; S53-K55 WeakPolarHBondContact OG-CG 3.48Å |
| 54 | G | 87.7 | Confident | 90.8 | Very high | 23 Ų | 23 | 14 Ų | 14 | 24% | 0.237 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 87.8 | 17.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q32 G52 T56 G57 A58 | Q32-G54 PolarHBondContact NE2-O 3.04Å; G52-G54 PolarHBondContact O-N 3.3Å; G52-G54 VanDerWaalsContact O-N 3.13Å; G54-T56 VanDerWaalsContact C-N 3.27Å; G54-T56 PolarHBondContact O-N 3.24Å; G54-G57 PolarHBondContact O-N 3.49Å; G54-A58 PolarHBondContact O-N 2.78Å; G54-A58 VanDerWaalsContact O-N 3.16Å |
| 55 | K | 91.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 5% | 0.048 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -50 | -42.4 | 179 | -70.3 | -175.8 | -76.6 | -166.8 | 0 | 113.8 | I31 A49 E50 S53 G57 A58 Y59 F189 | I31-K55 HydrophobicContact CG1-CG 4.49Å; I31-K55 HydrophobicContact CG2-CG 4.37Å; A49-K55 HydrophobicContact CB-CD 4.09Å; A49-K55 HydrophobicContact CB-CG 4.12Å; A49-K55 WeakPolarHBondContact O-CE 3.25Å; A49-K55 PolarHBondContact O-NZ 3.44Å; E50-K55 VanDerWaalsContact O-CE 3.32Å; E50-K55 WeakPolarHBondContact O-CE 3.31Å; S53-K55 WeakPolarHBondContact OG-CG 3.48Å; K55-G57 PolarHBondContact O-N 3.48Å; K55-A58 WeakPolarHBondContact O-CA 3.1Å; K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 2.73Å; K55-Y59 WeakPolarHBondContact O-CD1 3.47Å; K55-Y59 WeakPolarHBondContact O-CE1 3.17Å; K55-Y59 PolarHBondContact O-N 3.34Å; K55-F189 HydrophobicContact CB-CD1 3.83Å; K55-F189 HydrophobicContact CB-CE1 4.27Å; K55-F189 HydrophobicContact CD-CB 4.21Å; K55-F189 HydrophobicContact CD-CD1 3.88Å; K55-F189 HydrophobicContact CG-CD1 3.76Å; K55-F189 HydrophobicContact CG-CE1 4.33Å |
| 56 | T | 94.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 16 Ų | 16 | 10% | 0.104 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | -179.2 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | G54 A58 Y59 A60 V89 Q92 | G54-T56 VanDerWaalsContact C-N 3.27Å; G54-T56 PolarHBondContact O-N 3.24Å; T56-A58 PolarHBondContact O-N 3.24Å; T56-Y59 VanDerWaalsContact CA-CE1 3.5Å; T56-Y59 HydrophobicContact CG2-CE2 4.05Å; T56-Y59 PolarHBondContact O-N 3.29Å; T56-Y59 PolarHBondContact OG1-OH 2.98Å; T56-A60 WeakPolarHBondContact O-CB 3.23Å; T56-A60 PolarHBondContact O-N 2.94Å; T56-V89 HydrophobicContact CG2-CB 4.38Å; T56-V89 HydrophobicContact CG2-CG1 4.19Å; T56-V89 HydrophobicContact CG2-CG2 4.07Å; T56-Q92 HydrophobicContact CG2-CB 4.03Å; T56-Q92 HydrophobicContact CG2-CG 4.34Å |
| 57 | G | 95.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.4 | -32.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G54 K55 Y59 A60 L61 | G54-G57 PolarHBondContact O-N 3.49Å; K55-G57 PolarHBondContact O-N 3.48Å; G57-Y59 VanDerWaalsContact C-N 3.32Å; G57-Y59 PolarHBondContact O-N 2.92Å; G57-A60 PolarHBondContact O-N 2.87Å; G57-L61 WeakPolarHBondContact O-CB 3.14Å; G57-L61 VanDerWaalsContact O-CG 3.31Å; G57-L61 WeakPolarHBondContact O-CG 3.46Å; G57-L61 PolarHBondContact O-N 2.83Å; G57-L61 VanDerWaalsContact O-N 3.07Å |
| 58 | A | 96.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -29.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | I31 Q32 S35 G54 K55 T56 P62 F189 | I31-A58 HydrophobicContact CG2-CB 4.33Å; Q32-A58 HydrophobicContact CB-CB 4.46Å; Q32-A58 HydrophobicContact CG-CB 3.73Å; S35-A58 VanDerWaalsContact OG-CB 3.24Å; S35-A58 WeakPolarHBondContact OG-CB 3.35Å; G54-A58 PolarHBondContact O-N 2.78Å; G54-A58 VanDerWaalsContact O-N 3.16Å; K55-A58 WeakPolarHBondContact O-CA 3.1Å; K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 2.73Å; T56-A58 PolarHBondContact O-N 3.24Å; A58-P62 WeakPolarHBondContact O-CD 3.09Å; A58-P62 WeakPolarHBondContact O-CG 3.37Å; A58-F189 HydrophobicContact CB-CE1 4.06Å; A58-F189 HydrophobicContact CB-CZ 4.2Å |
| 59 | Y | 97.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -102.6 | -30 | 169.7 | 57.1 | -104.5 | 0 | 0 | 0 | 113.9 | K55 T56 G57 P62 I63 I78 V89 F93 V157 D159 F189 | K55-Y59 WeakPolarHBondContact O-CD1 3.47Å; K55-Y59 WeakPolarHBondContact O-CE1 3.17Å; K55-Y59 PolarHBondContact O-N 3.34Å; T56-Y59 VanDerWaalsContact CA-CE1 3.5Å; T56-Y59 HydrophobicContact CG2-CE2 4.05Å; T56-Y59 PolarHBondContact O-N 3.29Å; T56-Y59 PolarHBondContact OG1-OH 2.98Å; G57-Y59 VanDerWaalsContact C-N 3.32Å; G57-Y59 PolarHBondContact O-N 2.92Å; Y59-P62 WeakPolarHBondContact O-CD 3.45Å; Y59-P62 WeakPolarHBondContact O-CG 3.38Å; Y59-I63 HydrophobicContact CD2-CD1 4.28Å; Y59-I63 WeakPolarHBondContact O-CB 3.36Å; Y59-I63 VanDerWaalsContact O-CD1 3.23Å; Y59-I63 WeakPolarHBondContact O-CD1 3.36Å; Y59-I63 WeakPolarHBondContact O-CG1 3.43Å; Y59-I63 PolarHBondContact O-N 3.4Å; Y59-I78 HydrophobicContact CD2-CD1 4.37Å; Y59-I78 HydrophobicContact CE2-CD1 4.06Å; Y59-I78 HydrophobicContact CE2-CG2 4.3Å; Y59-V89 HydrophobicContact CE2-CG1 4.2Å; Y59-V89 VanDerWaalsContact OH-CG2 3.27Å; Y59-V89 WeakPolarHBondContact OH-CG2 3.48Å; Y59-F93 HydrophobicContact CD2-CE2 4.19Å; Y59-F93 HydrophobicContact CD2-CZ 4.18Å; Y59-F93 AromaticContact CE2-CE2 3.86Å; Y59-F93 HydrophobicContact CE2-CE2 3.86Å; Y59-F93 HydrophobicContact CE2-CZ 4.29Å; Y59-V157 HydrophobicContact CD1-CG1 4.02Å; Y59-V157 HydrophobicContact CD2-CG1 4.15Å; Y59-V157 HydrophobicContact CD2-CG2 4.4Å; Y59-V157 HydrophobicContact CE1-CG1 4.18Å; Y59-V157 HydrophobicContact CE2-CG1 4.34Å; Y59-V157 HydrophobicContact CG-CG1 3.99Å; Y59-D159 HydrophobicContact CE1-CB 4.18Å; Y59-D159 WeakPolarHBondContact CE1-OD2 3.41Å; Y59-D159 PolarHBondContact OH-OD2 3.43Å; Y59-F189 AromaticContact CD1-CD2 3.68Å; Y59-F189 HydrophobicContact CD1-CD2 3.68Å; Y59-F189 HydrophobicContact CD1-CE1 4.4Å; Y59-F189 AromaticContact CD1-CE2 3.52Å; Y59-F189 HydrophobicContact CD1-CE2 3.52Å; Y59-F189 HydrophobicContact CD1-CG 4.2Å; Y59-F189 AromaticContact CD1-CZ 3.91Å; Y59-F189 HydrophobicContact CD1-CZ 3.91Å; Y59-F189 HydrophobicContact CE1-CD2 4.31Å; Y59-F189 HydrophobicContact CG-CE2 4.08Å |
| 60 | A | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | T56 G57 I63 I64 F93 L96 | T56-A60 WeakPolarHBondContact O-CB 3.23Å; T56-A60 PolarHBondContact O-N 2.94Å; G57-A60 PolarHBondContact O-N 2.87Å; A60-I63 PolarHBondContact O-N 2.89Å; A60-I64 VanDerWaalsContact O-CG1 3.24Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 2.99Å; A60-F93 HydrophobicContact CB-CD2 4.17Å; A60-F93 HydrophobicContact CB-CE1 4.11Å; A60-F93 HydrophobicContact CB-CE2 3.61Å; A60-F93 HydrophobicContact CB-CZ 3.58Å; A60-L96 HydrophobicContact CB-CD1 3.75Å |
| 61 | L | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -53.6 | 179.6 | -72.7 | 170.6 | 0 | 0 | 0 | 113.3 | F7 I12 L16 I36 G57 I63 I64 Q65 L96 | F7-L61 HydrophobicContact CD1-CD1 3.91Å; F7-L61 HydrophobicContact CE1-CD1 3.59Å; I12-L61 HydrophobicContact CD1-CB 3.85Å; I12-L61 HydrophobicContact CG2-CD2 4.45Å; L16-L61 HydrophobicContact CB-CD2 4.21Å; L16-L61 HydrophobicContact CD1-CD2 4.38Å; I36-L61 HydrophobicContact CD1-CB 4.39Å; I36-L61 HydrophobicContact CD1-CD1 3.75Å; G57-L61 WeakPolarHBondContact O-CB 3.14Å; G57-L61 VanDerWaalsContact O-CG 3.31Å; G57-L61 WeakPolarHBondContact O-CG 3.46Å; G57-L61 PolarHBondContact O-N 2.83Å; G57-L61 VanDerWaalsContact O-N 3.07Å; L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 2.84Å; L61-I64 PolarHBondContact O-N 3.15Å; L61-Q65 VanDerWaalsContact O-CB 3.27Å; L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 2.96Å; L61-L96 HydrophobicContact CD2-CD2 4.02Å |
| 62 | P | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -31 | 178.2 | 24.2 | -34 | 0 | 0 | 0 | 113.4 | A39 L40 A58 Y59 K66 | A39-P62 HydrophobicContact CB-CB 3.58Å; A39-P62 HydrophobicContact CB-CG 3.56Å; L40-P62 HydrophobicContact CD2-CB 3.76Å; L40-P62 HydrophobicContact CG-CB 4.21Å; A58-P62 WeakPolarHBondContact O-CD 3.09Å; A58-P62 WeakPolarHBondContact O-CG 3.37Å; Y59-P62 WeakPolarHBondContact O-CD 3.45Å; Y59-P62 WeakPolarHBondContact O-CG 3.38Å; P62-K66 WeakPolarHBondContact O-CG 3.35Å; P62-K66 PolarHBondContact O-N 3.03Å |
| 63 | I | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -50.8 | 174.5 | -69.3 | 165.9 | 0 | 0 | 0 | 110.3 | Y59 A60 L61 Q65 K66 L67 F75 A76 F93 V127 I155 V157 F187 | Y59-I63 HydrophobicContact CD2-CD1 4.28Å; Y59-I63 WeakPolarHBondContact O-CB 3.36Å; Y59-I63 VanDerWaalsContact O-CD1 3.23Å; Y59-I63 WeakPolarHBondContact O-CD1 3.36Å; Y59-I63 WeakPolarHBondContact O-CG1 3.43Å; Y59-I63 PolarHBondContact O-N 3.4Å; A60-I63 PolarHBondContact O-N 2.89Å; L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 2.84Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.29Å; I63-K66 PolarHBondContact O-N 3.39Å; I63-L67 HydrophobicContact CG2-CD1 4.09Å; I63-L67 PolarHBondContact O-N 2.67Å; I63-F75 HydrophobicContact CG2-CD1 4.35Å; I63-F75 HydrophobicContact CG2-CE1 4.43Å; I63-A76 HydrophobicContact CD1-CB 4.47Å; I63-A76 HydrophobicContact CG2-CB 3.93Å; I63-F93 HydrophobicContact CB-CE1 4.37Å; I63-F93 HydrophobicContact CD1-CZ 4.09Å; I63-F93 HydrophobicContact CG2-CE1 4.06Å; I63-V127 HydrophobicContact CG2-CG2 4.35Å; I63-I155 HydrophobicContact CB-CD1 4.49Å; I63-I155 HydrophobicContact CD1-CG2 4.1Å; I63-I155 HydrophobicContact CG1-CD1 3.79Å; I63-I155 HydrophobicContact CG1-CG2 4.02Å; I63-V157 HydrophobicContact CD1-CG2 3.73Å; I63-F187 HydrophobicContact CG1-CE2 4.31Å |
| 64 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | -178.2 | -61.2 | 167.5 | 0 | 0 | 0 | 110.5 | L16 A60 L61 K66 L67 L68 F93 L96 I100 L102 | L16-I64 HydrophobicContact CD1-CB 4.31Å; L16-I64 HydrophobicContact CD1-CG2 4.29Å; L16-I64 HydrophobicContact CD2-CB 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.63Å; L16-I64 HydrophobicContact CG-CG2 4.49Å; A60-I64 VanDerWaalsContact O-CG1 3.24Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 2.99Å; L61-I64 PolarHBondContact O-N 3.15Å; I64-K66 PolarHBondContact O-N 3.25Å; I64-L67 PolarHBondContact O-N 3.16Å; I64-L68 PolarHBondContact O-N 2.89Å; I64-F93 HydrophobicContact CD1-CD1 4.04Å; I64-F93 HydrophobicContact CD1-CE1 4.37Å; I64-F93 HydrophobicContact CG1-CD1 4.12Å; I64-F93 HydrophobicContact CG1-CE1 4.16Å; I64-L96 HydrophobicContact CD1-CB 3.49Å; I64-L96 VanDerWaalsContact CD1-CB 3.49Å; I64-L96 HydrophobicContact CD1-CD1 4.25Å; I64-I100 HydrophobicContact CG2-CD1 3.53Å; I64-L102 HydrophobicContact CD1-CD2 4.36Å; I64-L102 HydrophobicContact CG1-CD2 4.39Å |
| 65 | Q | 95.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -32.8 | 175.2 | -174 | 64.9 | 61.3 | 0 | 0 | 112.8 | L16 L40 L61 I63 | L16-Q65 HydrophobicContact CD1-CB 3.83Å; L40-Q65 HydrophobicContact CD2-CB 4.04Å; L40-Q65 HydrophobicContact CD2-CG 3.87Å; L61-Q65 VanDerWaalsContact O-CB 3.27Å; L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 2.96Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.29Å |
| 66 | K | 95.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 22% | 0.217 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.6 | -40.3 | 174.5 | -71.8 | 177.3 | 176.2 | -162.9 | 0 | 112 | A39 P62 I63 I64 L68 R69 D70 F75 I155 | A39-K66 PolarHBondContact O-NZ 3.36Å; P62-K66 WeakPolarHBondContact O-CG 3.35Å; P62-K66 PolarHBondContact O-N 3.03Å; I63-K66 PolarHBondContact O-N 3.39Å; I64-K66 PolarHBondContact O-N 3.25Å; K66-L68 PolarHBondContact O-N 3.2Å; K66-R69 PolarHBondContact O-N 2.91Å; K66-D70 PolarHBondContact O-N 3.12Å; K66-F75 HydrophobicContact CB-CE1 4.14Å; K66-F75 HydrophobicContact CB-CZ 3.71Å; K66-I155 HydrophobicContact CD-CD1 3.92Å |
| 67 | L | 95 | Very high | 95.3 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | 172.9 | -80 | 169 | 0 | 0 | 0 | 112.9 | I63 I64 R69 D70 A71 F75 L102 H126 V127 | I63-L67 HydrophobicContact CG2-CD1 4.09Å; I63-L67 PolarHBondContact O-N 2.67Å; I64-L67 PolarHBondContact O-N 3.16Å; L67-R69 PolarHBondContact O-N 3.11Å; L67-D70 CarbonylContact O-C 3.51Å; L67-A71 WeakPolarHBondContact O-CA 3.46Å; L67-A71 WeakPolarHBondContact O-CB 3.39Å; L67-A71 PolarHBondContact O-N 3.15Å; L67-F75 HydrophobicContact CD1-CD1 4.28Å; L67-F75 HydrophobicContact CD2-CB 3.54Å; L67-F75 HydrophobicContact CD2-CD1 3.79Å; L67-F75 HydrophobicContact CD2-CD2 3.75Å; L67-F75 HydrophobicContact CD2-CE1 4.45Å; L67-F75 HydrophobicContact CD2-CE2 4.44Å; L67-F75 HydrophobicContact CD2-CG 3.42Å; L67-F75 VanDerWaalsContact CD2-CG 3.42Å; L67-F75 HydrophobicContact CG-CB 4.38Å; L67-F75 HydrophobicContact CG-CD1 3.75Å; L67-F75 HydrophobicContact CG-CD2 4.42Å; L67-F75 HydrophobicContact CG-CE1 4.13Å; L67-F75 HydrophobicContact CG-CG 3.94Å; L67-L102 HydrophobicContact CD1-CD1 3.6Å; L67-H126 HydrophobicContact CD1-CB 4.06Å; L67-H126 HydrophobicContact CD2-CB 4.03Å; L67-V127 HydrophobicContact CD1-CG2 3.97Å |
| 68 | L | 92.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.8 | 172.2 | -84.2 | 175.3 | 0 | 0 | 0 | 113.8 | E15 L16 I64 K66 I100 | E15-L68 WeakPolarHBondContact OE2-CD2 3.41Å; L16-L68 HydrophobicContact CD1-CD1 4.31Å; L16-L68 HydrophobicContact CG-CD1 4.22Å; I64-L68 PolarHBondContact O-N 2.89Å; K66-L68 PolarHBondContact O-N 3.2Å; L68-I100 HydrophobicContact CD2-CB 4.2Å; L68-I100 HydrophobicContact CD2-CG2 3.33Å; L68-I100 HydrophobicContact CG-CG2 4.27Å |
| 69 | R | 90.9 | Very high | 95.5 | Very high | 215 Ų | 215 | 29.6 Ų | 29.6 | 81% | 0.811 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -37.3 | 179.9 | -61.7 | -179.6 | -179.6 | 178.1 | 1 | 112.2 | K66 L67 | K66-R69 PolarHBondContact O-N 2.91Å; L67-R69 PolarHBondContact O-N 3.11Å |
| 70 | D | 90.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 45% | 0.449 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -141.9 | 87.8 | -176.6 | -176.9 | 18.2 | 0 | 0 | 0 | 109.6 | K66 L67 H72 | K66-D70 PolarHBondContact O-N 3.12Å; L67-D70 CarbonylContact O-C 3.51Å; D70-H72 IonicContact OD1-CD2 2.76Å; D70-H72 IonicContact OD2-CD2 3.52Å; D70-H72 IonicContact OD2-NE2 2.84Å |
| 71 | A | 89.7 | Confident | 94.8 | Very high | 71 Ų | 71 | 30.2 Ų | 30.2 | 59% | 0.587 | 16% | 0.155 | S | C | * | . | trans | -88.8 | 109.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L67 | L67-A71 WeakPolarHBondContact O-CA 3.46Å; L67-A71 WeakPolarHBondContact O-CB 3.39Å; L67-A71 PolarHBondContact O-N 3.15Å | ||
| 72 | H | 93.2 | Very high | 94.2 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.13 | 16% | 0.161 | C | C | . | . | trans | -139.2 | 156.7 | 170.4 | 65.2 | 71 | 0 | 0 | 0 | 111.6 | D70 F75 N152 | D70-H72 IonicContact OD1-CD2 2.76Å; D70-H72 IonicContact OD2-CD2 3.52Å; D70-H72 IonicContact OD2-NE2 2.84Å; H72-F75 AromaticContact CD2-CD2 3.95Å; H72-F75 AromaticContact CE1-CD2 3.51Å; H72-F75 AromaticContact NE2-CD2 3.35Å; H72-F75 WeakPolarHBondContact NE2-CD2 3.41Å; H72-F75 AromaticContact NE2-CE2 3.92Å; H72-N152 PolarHBondContact CE1-O 3.28Å | ||
| 73 | P | 95 | Very high | 93.6 | Very high | 63 Ų | 63 | 36 Ų | 36 | 41% | 0.409 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 152.9 | 176 | -26.4 | 36.5 | 0 | 0 | 0 | 113 | F75 P124 P125 | P73-F75 PolarHBondContact O-N 2.74Å; P73-F75 VanDerWaalsContact O-N 3.16Å; P73-P124 HydrophobicContact CB-CB 3.85Å; P73-P124 HydrophobicContact CG-CB 3.91Å; P73-P125 CarbonylContact C-O 3.44Å; P73-P125 WeakPolarHBondContact CA-O 3.39Å |
| 74 | F | 95.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 29 | 176.3 | -56.4 | -89 | 0 | 0 | 0 | 114.5 | A76 M120 P124 P125 V128 K149 F150 L153 | F74-A76 VanDerWaalsContact C-N 3.35Å; F74-A76 PolarHBondContact O-N 3.45Å; F74-M120 HydrophobicContact CE1-SD 4.5Å; F74-P124 HydrophobicContact CE2-CB 4.27Å; F74-P125 HydrophobicContact CD1-CG 4.38Å; F74-P125 HydrophobicContact CE1-CG 3.84Å; F74-P125 HydrophobicContact CZ-CG 3.91Å; F74-P125 PolarHBondContact N-O 3Å; F74-V128 HydrophobicContact CD1-CG2 3.69Å; F74-V128 HydrophobicContact CE1-CG2 3.9Å; F74-K149 HydrophobicContact CD1-CG 4.45Å; F74-K149 HydrophobicContact CE1-CG 4.22Å; F74-K149 HydrophobicContact CE2-CD 4.23Å; F74-K149 HydrophobicContact CE2-CG 4.37Å; F74-K149 HydrophobicContact CZ-CD 4.26Å; F74-K149 HydrophobicContact CZ-CG 4.19Å; F74-F150 HydrophobicContact CB-CD1 4.41Å; F74-F150 HydrophobicContact CD1-CD1 4.3Å; F74-F150 AromaticContact CD1-CE1 3.78Å; F74-F150 HydrophobicContact CD1-CE1 3.78Å; F74-F150 HydrophobicContact CD1-CZ 4.18Å; F74-L153 WeakPolarHBondContact O-CA 3.49Å |
| 75 | F | 97.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | trans | -58.9 | -41.4 | 179.5 | -175.2 | -88.4 | 0 | 0 | 0 | 113.4 | I63 K66 L67 H72 P73 H126 R154 I155 | I63-F75 HydrophobicContact CG2-CD1 4.35Å; I63-F75 HydrophobicContact CG2-CE1 4.43Å; K66-F75 HydrophobicContact CB-CE1 4.14Å; K66-F75 HydrophobicContact CB-CZ 3.71Å; L67-F75 HydrophobicContact CD1-CD1 4.28Å; L67-F75 HydrophobicContact CD2-CB 3.54Å; L67-F75 HydrophobicContact CD2-CD1 3.79Å; L67-F75 HydrophobicContact CD2-CD2 3.75Å; L67-F75 HydrophobicContact CD2-CE1 4.45Å; L67-F75 HydrophobicContact CD2-CE2 4.44Å; L67-F75 HydrophobicContact CD2-CG 3.42Å; L67-F75 VanDerWaalsContact CD2-CG 3.42Å; L67-F75 HydrophobicContact CG-CB 4.38Å; L67-F75 HydrophobicContact CG-CD1 3.75Å; L67-F75 HydrophobicContact CG-CD2 4.42Å; L67-F75 HydrophobicContact CG-CE1 4.13Å; L67-F75 HydrophobicContact CG-CG 3.94Å; H72-F75 AromaticContact CD2-CD2 3.95Å; H72-F75 AromaticContact CE1-CD2 3.51Å; H72-F75 AromaticContact NE2-CD2 3.35Å; H72-F75 WeakPolarHBondContact NE2-CD2 3.41Å; H72-F75 AromaticContact NE2-CE2 3.92Å; P73-F75 PolarHBondContact O-N 2.74Å; P73-F75 VanDerWaalsContact O-N 3.16Å; F75-H126 WeakPolarHBondContact CB-O 3.49Å; F75-H126 PolarHBondContact N-O 2.99Å; F75-R154 HydrophobicContact CD2-CB 4.35Å; F75-R154 HydrophobicContact CD2-CG 4.08Å; F75-R154 HydrophobicContact CE1-CB 4.37Å; F75-R154 HydrophobicContact CE2-CB 3.98Å; F75-R154 HydrophobicContact CE2-CG 3.79Å; F75-R154 HydrophobicContact CZ-CB 3.97Å; F75-R154 HydrophobicContact CZ-CG 4.27Å; F75-R154 PolarHBondContact O-N 3.07Å; F75-I155 HydrophobicContact CE1-CD1 3.72Å; F75-I155 HydrophobicContact CE1-CG1 3.99Å; F75-I155 HydrophobicContact CZ-CD1 4.36Å; F75-I155 PolarHBondContact O-N 3.15Å; F75-I155 VanDerWaalsContact O-N 3.15Å | ||
| 76 | A | 97.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I63 F74 H126 V127 V128 I155 | I63-A76 HydrophobicContact CD1-CB 4.47Å; I63-A76 HydrophobicContact CG2-CB 3.93Å; F74-A76 VanDerWaalsContact C-N 3.35Å; F74-A76 PolarHBondContact O-N 3.45Å; A76-H126 PolarHBondContact N-O 3.12Å; A76-V127 HydrophobicContact CB-CG1 4.32Å; A76-V127 HydrophobicContact CB-CG2 4.33Å; A76-V127 WeakPolarHBondContact O-CA 3.4Å; A76-V128 PolarHBondContact O-N 2.83Å; A76-I155 CarbonylContact C-O 3.55Å; A76-I155 VanDerWaalsContact CA-O 3.24Å; A76-I155 WeakPolarHBondContact CA-O 3.38Å; A76-I155 HydrophobicContact CB-CB 4.11Å |
| 77 | L | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.1 | 168.9 | 174.3 | 59.4 | 0 | 0 | 0 | 109.7 | L79 V128 A130 F135 L153 I155 L156 V157 I176 V180 | L77-L79 HydrophobicContact CD1-CD2 3.99Å; L77-L79 HydrophobicContact CD2-CD2 4.12Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 4.03Å; L77-L79 HydrophobicContact CG-CG 4.23Å; L77-V128 CarbonylContact C-O 3.51Å; L77-V128 WeakPolarHBondContact CA-O 3.38Å; L77-V128 HydrophobicContact CD1-CB 4.03Å; L77-V128 HydrophobicContact CD1-CG1 3.88Å; L77-A130 HydrophobicContact CD1-CB 4.35Å; L77-F135 HydrophobicContact CD1-CD2 3.75Å; L77-F135 HydrophobicContact CD1-CE2 3.48Å; L77-F135 VanDerWaalsContact CD1-CE2 3.48Å; L77-F135 HydrophobicContact CD1-CZ 4.38Å; L77-F135 HydrophobicContact CD2-CD2 4.3Å; L77-F135 HydrophobicContact CD2-CE1 4.41Å; L77-F135 HydrophobicContact CD2-CE2 3.66Å; L77-F135 HydrophobicContact CD2-CZ 3.71Å; L77-F135 HydrophobicContact CG-CE2 4.22Å; L77-L153 HydrophobicContact CB-CD1 3.46Å; L77-L153 VanDerWaalsContact CB-CD1 3.46Å; L77-I155 PolarHBondContact N-O 3.5Å; L77-L156 HydrophobicContact CB-CD1 4.18Å; L77-L156 HydrophobicContact CD2-CD1 3.99Å; L77-L156 HydrophobicContact CG-CD1 4.04Å; L77-L156 CarbonylContact O-C 3.56Å; L77-L156 WeakPolarHBondContact O-CA 3.4Å; L77-V157 PolarHBondContact O-N 3.11Å; L77-I176 HydrophobicContact CD2-CG2 3.94Å; L77-V180 HydrophobicContact CD2-CG1 4.01Å |
| 78 | I | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.3 | 178.1 | -51.5 | 179.7 | 0 | 0 | 0 | 108.7 | Y59 V80 V89 F93 V127 V128 I129 A130 V157 | Y59-I78 HydrophobicContact CD2-CD1 4.37Å; Y59-I78 HydrophobicContact CE2-CD1 4.06Å; Y59-I78 HydrophobicContact CE2-CG2 4.3Å; I78-V80 HydrophobicContact CG2-CG1 4.21Å; I78-V89 HydrophobicContact CD1-CG1 4.18Å; I78-V89 HydrophobicContact CG2-CG1 4.26Å; I78-F93 HydrophobicContact CD1-CD2 4.18Å; I78-F93 HydrophobicContact CD1-CE1 4.09Å; I78-F93 HydrophobicContact CD1-CE2 3.27Å; I78-F93 HydrophobicContact CD1-CZ 3.21Å; I78-V127 HydrophobicContact CD1-CG1 3.62Å; I78-V127 HydrophobicContact CG1-CG1 4.01Å; I78-V128 PolarHBondContact N-O 2.99Å; I78-I129 HydrophobicContact CB-CG1 4.23Å; I78-I129 HydrophobicContact CD1-CG1 4.21Å; I78-I129 WeakPolarHBondContact O-CA 3.45Å; I78-A130 PolarHBondContact O-N 3.29Å; I78-V157 HydrophobicContact CB-CB 4.29Å; I78-V157 HydrophobicContact CG1-CB 4.07Å; I78-V157 HydrophobicContact CG1-CG2 4.17Å; I78-V157 HydrophobicContact CG2-CB 4.04Å; I78-V157 HydrophobicContact CG2-CG1 4.15Å |
| 79 | L | 96.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.5 | 175.8 | -60 | 179.9 | 0 | 0 | 0 | 109.9 | L77 A130 L156 V157 D159 M164 I173 I176 | L77-L79 HydrophobicContact CD1-CD2 3.99Å; L77-L79 HydrophobicContact CD2-CD2 4.12Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 4.03Å; L77-L79 HydrophobicContact CG-CG 4.23Å; L79-A130 WeakPolarHBondContact CA-O 3.4Å; L79-A130 HydrophobicContact CD2-CB 4.36Å; L79-L156 HydrophobicContact CD1-CD1 4.15Å; L79-L156 HydrophobicContact CG-CD1 4.29Å; L79-V157 PolarHBondContact N-O 2.83Å; L79-D159 PolarHBondContact O-N 3.33Å; L79-M164 HydrophobicContact CB-SD 4.3Å; L79-I173 HydrophobicContact CD1-CD1 3.84Å; L79-I176 HydrophobicContact CD1-CD1 4.05Å; L79-I176 HydrophobicContact CD1-CG2 4.09Å; L79-I176 HydrophobicContact CD2-CD1 4.04Å |
| 80 | V | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -133.3 | 146.4 | -180 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | I78 T82 L85 A86 V89 I129 A130 T131 P132 D159 | I78-V80 HydrophobicContact CG2-CG1 4.21Å; V80-T82 PolarHBondContact O-N 3.18Å; V80-L85 HydrophobicContact CB-CB 4.35Å; V80-L85 HydrophobicContact CB-CD2 4.01Å; V80-L85 HydrophobicContact CB-CG 4.15Å; V80-L85 HydrophobicContact CG1-CD2 3.91Å; V80-L85 HydrophobicContact CG1-CG 3.94Å; V80-A86 HydrophobicContact CG2-CB 3.43Å; V80-A86 VanDerWaalsContact CG2-CB 3.43Å; V80-V89 HydrophobicContact CG1-CG2 4.27Å; V80-I129 HydrophobicContact CG2-CG2 4.35Å; V80-A130 PolarHBondContact N-O 2.95Å; V80-T131 WeakPolarHBondContact O-CA 3.28Å; V80-P132 VanDerWaalsContact O-CD 3.25Å; V80-P132 WeakPolarHBondContact O-CD 3.37Å; V80-D159 HydrophobicContact CG1-CB 4.13Å | ||
| 81 | P | 87.7 | Confident | 91.9 | Very high | 15 Ų | 15 | 24.5 Ų | 24.5 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -66.6 | -31.9 | -175.8 | 23.9 | -37.5 | 0 | 0 | 0 | 114.7 | L85 D159 E160 R163 M164 | P81-L85 HydrophobicContact CG-CD2 4.25Å; P81-D159 WeakPolarHBondContact CD-O 3.46Å; P81-E160 HydrophobicContact CG-CB 3.71Å; P81-E160 WeakPolarHBondContact CG-OE2 3.41Å; P81-R163 HydrophobicContact CB-CB 3.86Å; P81-R163 HydrophobicContact CG-CB 3.94Å; P81-M164 HydrophobicContact CB-CG 3.61Å; P81-M164 HydrophobicContact CG-CG 4.26Å |
| 82 | T | 83.8 | Confident | 92.1 | Very high | 22 Ų | 22 | 24 Ų | 24 | 14% | 0.135 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -129.4 | 155.1 | -170.4 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | V80 E84 L85 A86 R342 | V80-T82 PolarHBondContact O-N 3.18Å; T82-E84 WeakPolarHBondContact CB-OE2 3.46Å; T82-E84 PolarHBondContact O-N 3.4Å; T82-E84 PolarHBondContact OG1-OE2 2.93Å; T82-L85 PolarHBondContact O-N 3.4Å; T82-L85 PolarHBondContact OG1-N 3.06Å; T82-A86 PolarHBondContact O-N 2.9Å; T82-A86 VanDerWaalsContact O-N 3.13Å; T82-R342 HydrophobicContact CG2-CB 4.16Å; T82-R342 PolarHBondContact OG1-O 3.41Å |
| 83 | R | 84.6 | Confident | 92.2 | Very high | 98 Ų | 98 | 22.6 Ų | 22.6 | 37% | 0.37 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.6 | -31.6 | 179.7 | -51.3 | -175.2 | -178.2 | 170.1 | 0.6 | 111.5 | A86 A87 V108 G109 T131 | R83-A86 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 2.84Å; R83-A87 VanDerWaalsContact O-N 3.09Å; R83-V108 HydrophobicContact CB-CB 3.97Å; R83-V108 HydrophobicContact CB-CG1 4.03Å; R83-V108 HydrophobicContact CG-CB 3.88Å; R83-V108 HydrophobicContact CG-CG1 4.28Å; R83-G109 VanDerWaalsContact CD-O 3.24Å; R83-G109 WeakPolarHBondContact CD-O 3.39Å; R83-G109 VanDerWaalsContact CZ-CA 3.42Å; R83-G109 PolarHBondContact NE-O 3.16Å; R83-G109 VanDerWaalsContact NE-O 3.15Å; R83-G109 PolarHBondContact NH1-O 3.09Å; R83-T131 HydrophobicContact CG-CG2 4.3Å |
| 84 | E | 80.8 | Confident | 92.2 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.3 | -48.1 | -179.4 | -65 | 67.9 | -131.3 | 0 | 0 | 111 | T82 A86 A87 Q88 Q316 R319 L344 | T82-E84 WeakPolarHBondContact CB-OE2 3.46Å; T82-E84 PolarHBondContact O-N 3.4Å; T82-E84 PolarHBondContact OG1-OE2 2.93Å; E84-A86 PolarHBondContact O-N 2.76Å; E84-A87 PolarHBondContact O-N 3.03Å; E84-Q88 WeakPolarHBondContact O-CG 3.36Å; E84-Q88 PolarHBondContact O-N 3.11Å; E84-Q316 PolarHBondContact OE1-NE2 2.95Å; E84-Q316 PolarHBondContact OE1-OE1 3.4Å; E84-R319 VanDerWaalsContact CD-NH1 3.26Å; E84-R319 IonicContact OE1-CZ 3.01Å; E84-R319 IonicContact OE1-NE 3.59Å; E84-R319 IonicContact OE1-NH1 3.87Å; E84-R319 PolarHBondContact OE1-NH1 3.31Å; E84-R319 IonicContact OE1-NH2 2.82Å; E84-R319 PolarHBondContact OE1-NH2 3.31Å; E84-R319 IonicContact OE2-CZ 3.85Å; E84-R319 IonicContact OE2-NH1 2.69Å; E84-R319 IonicContact OE2-NH2 2.82Å; E84-R319 PolarHBondContact OE2-NH2 3.08Å; E84-L344 HydrophobicContact CB-CD2 3.45Å; E84-L344 VanDerWaalsContact CB-CD2 3.45Å; E84-L344 HydrophobicContact CB-CG 3.88Å; E84-L344 HydrophobicContact CG-CD2 3.47Å; E84-L344 VanDerWaalsContact CG-CD2 3.47Å; E84-L344 HydrophobicContact CG-CG 3.86Å |
| 85 | L | 86.6 | Confident | 92.1 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.7 | -175.1 | 57.9 | 0 | 0 | 0 | 110.2 | V80 P81 T82 A87 Q88 V89 E160 G343 | V80-L85 HydrophobicContact CB-CB 4.35Å; V80-L85 HydrophobicContact CB-CD2 4.01Å; V80-L85 HydrophobicContact CB-CG 4.15Å; V80-L85 HydrophobicContact CG1-CD2 3.91Å; V80-L85 HydrophobicContact CG1-CG 3.94Å; P81-L85 HydrophobicContact CG-CD2 4.25Å; T82-L85 PolarHBondContact O-N 3.4Å; T82-L85 PolarHBondContact OG1-N 3.06Å; L85-A87 PolarHBondContact O-N 2.99Å; L85-Q88 WeakPolarHBondContact O-CB 3.23Å; L85-Q88 PolarHBondContact O-N 3.34Å; L85-Q88 VanDerWaalsContact O-N 3.12Å; L85-V89 HydrophobicContact CD1-CG2 4.18Å; L85-V89 HydrophobicContact CG-CG2 4.22Å; L85-V89 VanDerWaalsContact O-CG2 3.3Å; L85-V89 WeakPolarHBondContact O-CG2 3.24Å; L85-V89 PolarHBondContact O-N 2.99Å; L85-E160 HydrophobicContact CD2-CB 4.27Å; L85-E160 HydrophobicContact CD2-CG 3.71Å; L85-E160 WeakPolarHBondContact CD2-OE2 3.37Å; L85-G343 VanDerWaalsContact CA-O 3.26Å; L85-G343 WeakPolarHBondContact CA-O 3.46Å; L85-G343 PolarHBondContact N-O 3.41Å |
| 86 | A | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.2 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 T82 R83 E84 Q88 V89 Q90 L106 V108 I129 | V80-A86 HydrophobicContact CG2-CB 3.43Å; V80-A86 VanDerWaalsContact CG2-CB 3.43Å; T82-A86 PolarHBondContact O-N 2.9Å; T82-A86 VanDerWaalsContact O-N 3.13Å; R83-A86 WeakPolarHBondContact O-CB 3.48Å; E84-A86 PolarHBondContact O-N 2.76Å; A86-Q88 VanDerWaalsContact C-N 3.32Å; A86-Q88 PolarHBondContact O-N 3.39Å; A86-V89 PolarHBondContact O-N 2.85Å; A86-Q90 WeakPolarHBondContact O-CB 3.5Å; A86-Q90 PolarHBondContact O-N 2.94Å; A86-L106 HydrophobicContact CB-CD1 3.44Å; A86-L106 VanDerWaalsContact CB-CD1 3.44Å; A86-V108 HydrophobicContact CB-CG1 3.61Å; A86-I129 HydrophobicContact CB-CG2 3.98Å |
| 87 | A | 90 | Very high | 91.7 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R83 E84 L85 T91 L106 | R83-A87 PolarHBondContact O-N 2.84Å; R83-A87 VanDerWaalsContact O-N 3.09Å; E84-A87 PolarHBondContact O-N 3.03Å; L85-A87 PolarHBondContact O-N 2.99Å; A87-T91 PolarHBondContact O-N 2.97Å; A87-T91 PolarHBondContact O-OG1 3.44Å; A87-L106 HydrophobicContact CB-CD2 4.32Å |
| 88 | Q | 88.1 | Confident | 91.3 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -46.5 | 176.8 | -71.5 | -177.8 | -6.7 | 0 | 0 | 112 | E84 L85 A86 Q90 T91 Q92 G343 D345 | E84-Q88 WeakPolarHBondContact O-CG 3.36Å; E84-Q88 PolarHBondContact O-N 3.11Å; L85-Q88 WeakPolarHBondContact O-CB 3.23Å; L85-Q88 PolarHBondContact O-N 3.34Å; L85-Q88 VanDerWaalsContact O-N 3.12Å; A86-Q88 VanDerWaalsContact C-N 3.32Å; A86-Q88 PolarHBondContact O-N 3.39Å; Q88-Q90 VanDerWaalsContact C-N 3.32Å; Q88-Q90 PolarHBondContact O-N 2.83Å; Q88-T91 WeakPolarHBondContact O-CB 3.36Å; Q88-T91 PolarHBondContact O-N 2.72Å; Q88-Q92 PolarHBondContact O-N 3.21Å; Q88-Q92 VanDerWaalsContact O-N 3.09Å; Q88-G343 PolarHBondContact OE1-O 3.1Å; Q88-G343 VanDerWaalsContact OE1-O 3.04Å; Q88-D345 VanDerWaalsContact CD-N 3.33Å; Q88-D345 VanDerWaalsContact OE1-CB 3.27Å |
| 89 | V | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | T56 Y59 I78 V80 L85 A86 T91 Q92 F93 I129 | T56-V89 HydrophobicContact CG2-CB 4.38Å; T56-V89 HydrophobicContact CG2-CG1 4.19Å; T56-V89 HydrophobicContact CG2-CG2 4.07Å; Y59-V89 HydrophobicContact CE2-CG1 4.2Å; Y59-V89 VanDerWaalsContact OH-CG2 3.27Å; Y59-V89 WeakPolarHBondContact OH-CG2 3.48Å; I78-V89 HydrophobicContact CD1-CG1 4.18Å; I78-V89 HydrophobicContact CG2-CG1 4.26Å; V80-V89 HydrophobicContact CG1-CG2 4.27Å; L85-V89 HydrophobicContact CD1-CG2 4.18Å; L85-V89 HydrophobicContact CG-CG2 4.22Å; L85-V89 VanDerWaalsContact O-CG2 3.3Å; L85-V89 WeakPolarHBondContact O-CG2 3.24Å; L85-V89 PolarHBondContact O-N 2.99Å; A86-V89 PolarHBondContact O-N 2.85Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 2.89Å; V89-Q92 PolarHBondContact O-N 3.22Å; V89-Q92 VanDerWaalsContact O-N 3.07Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.72Å; V89-F93 WeakPolarHBondContact O-CD2 3.24Å; V89-F93 PolarHBondContact O-N 3.29Å; V89-I129 HydrophobicContact CB-CG2 4.33Å; V89-I129 HydrophobicContact CG1-CD1 3.95Å; V89-I129 HydrophobicContact CG1-CG1 4.33Å; V89-I129 HydrophobicContact CG1-CG2 4.28Å |
| 90 | Q | 95.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 177.6 | -178.4 | 176.7 | 52.7 | 0 | 0 | 112.3 | A86 Q88 Q92 F93 H94 T104 L106 I129 | A86-Q90 WeakPolarHBondContact O-CB 3.5Å; A86-Q90 PolarHBondContact O-N 2.94Å; Q88-Q90 VanDerWaalsContact C-N 3.32Å; Q88-Q90 PolarHBondContact O-N 2.83Å; Q90-Q92 VanDerWaalsContact C-N 3.29Å; Q90-Q92 PolarHBondContact O-N 2.8Å; Q90-F93 PolarHBondContact O-N 2.87Å; Q90-H94 WeakPolarHBondContact CG-CE1 3.47Å; Q90-H94 WeakPolarHBondContact CG-ND1 3.34Å; Q90-H94 PolarHBondContact O-N 3.47Å; Q90-H94 PolarHBondContact O-ND1 2.82Å; Q90-T104 WeakPolarHBondContact CG-OG1 3.15Å; Q90-T104 PolarHBondContact NE2-OG1 3.36Å; Q90-L106 HydrophobicContact CB-CD1 4.42Å; Q90-I129 HydrophobicContact CB-CD1 3.63Å; Q90-I129 HydrophobicContact CG-CD1 4.22Å |
| 91 | T | 92.8 | Very high | 89.7 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.5 | -42 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | A87 Q88 V89 A95 | A87-T91 PolarHBondContact O-N 2.97Å; A87-T91 PolarHBondContact O-OG1 3.44Å; Q88-T91 WeakPolarHBondContact O-CB 3.36Å; Q88-T91 PolarHBondContact O-N 2.72Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 2.89Å; T91-A95 WeakPolarHBondContact O-CB 3.1Å; T91-A95 PolarHBondContact O-N 3.13Å |
| 92 | Q | 93.3 | Very high | 90 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 177.9 | -68 | -171 | 22.9 | 0 | 0 | 112.6 | T56 Q88 V89 Q90 A95 L96 | T56-Q92 HydrophobicContact CG2-CB 4.03Å; T56-Q92 HydrophobicContact CG2-CG 4.34Å; Q88-Q92 PolarHBondContact O-N 3.21Å; Q88-Q92 VanDerWaalsContact O-N 3.09Å; V89-Q92 PolarHBondContact O-N 3.22Å; V89-Q92 VanDerWaalsContact O-N 3.07Å; Q90-Q92 VanDerWaalsContact C-N 3.29Å; Q90-Q92 PolarHBondContact O-N 2.8Å; Q92-A95 PolarHBondContact O-N 2.82Å; Q92-L96 WeakPolarHBondContact O-CB 3.33Å; Q92-L96 WeakPolarHBondContact O-CG 3.37Å; Q92-L96 PolarHBondContact O-N 2.61Å |
| 93 | F | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.7 | -90.5 | -95.3 | 0 | 0 | 0 | 111.8 | Y59 A60 I63 I64 I78 V89 Q90 A95 L96 G97 L102 T104 V127 I129 | Y59-F93 HydrophobicContact CD2-CE2 4.19Å; Y59-F93 HydrophobicContact CD2-CZ 4.18Å; Y59-F93 AromaticContact CE2-CE2 3.86Å; Y59-F93 HydrophobicContact CE2-CE2 3.86Å; Y59-F93 HydrophobicContact CE2-CZ 4.29Å; A60-F93 HydrophobicContact CB-CD2 4.17Å; A60-F93 HydrophobicContact CB-CE1 4.11Å; A60-F93 HydrophobicContact CB-CE2 3.61Å; A60-F93 HydrophobicContact CB-CZ 3.58Å; I63-F93 HydrophobicContact CB-CE1 4.37Å; I63-F93 HydrophobicContact CD1-CZ 4.09Å; I63-F93 HydrophobicContact CG2-CE1 4.06Å; I64-F93 HydrophobicContact CD1-CD1 4.04Å; I64-F93 HydrophobicContact CD1-CE1 4.37Å; I64-F93 HydrophobicContact CG1-CD1 4.12Å; I64-F93 HydrophobicContact CG1-CE1 4.16Å; I78-F93 HydrophobicContact CD1-CD2 4.18Å; I78-F93 HydrophobicContact CD1-CE1 4.09Å; I78-F93 HydrophobicContact CD1-CE2 3.27Å; I78-F93 HydrophobicContact CD1-CZ 3.21Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.72Å; V89-F93 WeakPolarHBondContact O-CD2 3.24Å; V89-F93 PolarHBondContact O-N 3.29Å; Q90-F93 PolarHBondContact O-N 2.87Å; F93-A95 VanDerWaalsContact C-N 3.3Å; F93-A95 PolarHBondContact O-N 2.71Å; F93-L96 PolarHBondContact O-N 3.49Å; F93-G97 WeakPolarHBondContact O-CA 3.04Å; F93-G97 PolarHBondContact O-N 3.21Å; F93-L102 HydrophobicContact CB-CD2 3.87Å; F93-L102 HydrophobicContact CD1-CD2 3.8Å; F93-L102 HydrophobicContact CG-CD2 4.34Å; F93-L102 WeakPolarHBondContact O-CD2 3.29Å; F93-T104 HydrophobicContact CB-CG2 4.08Å; F93-V127 HydrophobicContact CD1-CB 4.46Å; F93-V127 HydrophobicContact CD1-CG1 4.27Å; F93-V127 HydrophobicContact CD1-CG2 4.04Å; F93-V127 HydrophobicContact CE1-CG1 4.08Å; F93-V127 HydrophobicContact CE1-CG2 3.99Å; F93-V127 HydrophobicContact CZ-CG1 4.44Å; F93-I129 HydrophobicContact CD2-CD1 4.39Å |
| 94 | H | 94.5 | Very high | 91 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -40 | 176 | -72.5 | 111.5 | 0 | 0 | 0 | 112.5 | Q90 K98 T104 | Q90-H94 WeakPolarHBondContact CG-CE1 3.47Å; Q90-H94 WeakPolarHBondContact CG-ND1 3.34Å; Q90-H94 PolarHBondContact O-N 3.47Å; Q90-H94 PolarHBondContact O-ND1 2.82Å; H94-K98 WeakPolarHBondContact O-CA 3.34Å; H94-K98 WeakPolarHBondContact O-CB 3.47Å; H94-K98 PolarHBondContact O-N 3.24Å; H94-T104 PolarHBondContact CE1-OG1 2.81Å; H94-T104 PolarHBondContact NE2-OG1 2.89Å; H94-T104 VanDerWaalsContact NE2-OG1 3.08Å |
| 95 | A | 93 | Very high | 91.8 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 T91 Q92 F93 | L23-A95 HydrophobicContact CD1-CB 3.9Å; L23-A95 HydrophobicContact CD2-CB 3.6Å; L23-A95 HydrophobicContact CG-CB 4.22Å; T91-A95 WeakPolarHBondContact O-CB 3.1Å; T91-A95 PolarHBondContact O-N 3.13Å; Q92-A95 PolarHBondContact O-N 2.82Å; F93-A95 VanDerWaalsContact C-N 3.3Å; F93-A95 PolarHBondContact O-N 2.71Å |
| 96 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.4 | -37.8 | 177.6 | -70.2 | 165.9 | 0 | 0 | 0 | 112.4 | A19 L23 W25 A60 L61 I64 Q92 F93 | A19-L96 HydrophobicContact CB-CD2 4.41Å; L23-L96 HydrophobicContact CD1-CD2 3.55Å; L23-L96 HydrophobicContact CD1-CG 3.77Å; W25-L96 HydrophobicContact CE3-CD2 4.35Å; W25-L96 HydrophobicContact CH2-CD1 3.92Å; W25-L96 HydrophobicContact CH2-CD2 4.27Å; W25-L96 HydrophobicContact CH2-CG 4.41Å; W25-L96 HydrophobicContact CZ3-CD1 3.98Å; W25-L96 HydrophobicContact CZ3-CD2 3.82Å; W25-L96 HydrophobicContact CZ3-CG 4.39Å; A60-L96 HydrophobicContact CB-CD1 3.75Å; L61-L96 HydrophobicContact CD2-CD2 4.02Å; I64-L96 HydrophobicContact CD1-CB 3.49Å; I64-L96 VanDerWaalsContact CD1-CB 3.49Å; I64-L96 HydrophobicContact CD1-CD1 4.25Å; Q92-L96 WeakPolarHBondContact O-CB 3.33Å; Q92-L96 WeakPolarHBondContact O-CG 3.37Å; Q92-L96 PolarHBondContact O-N 2.61Å; F93-L96 PolarHBondContact O-N 3.49Å |
| 97 | G | 92.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F93 T99 I100 G101 L102 | F93-G97 WeakPolarHBondContact O-CA 3.04Å; F93-G97 PolarHBondContact O-N 3.21Å; G97-T99 VanDerWaalsContact C-N 3.29Å; G97-T99 PolarHBondContact O-N 3Å; G97-I100 WeakPolarHBondContact O-CG1 3.24Å; G97-I100 PolarHBondContact O-N 2.79Å; G97-G101 PolarHBondContact O-N 2.96Å; G97-L102 WeakPolarHBondContact O-CB 3.25Å; G97-L102 PolarHBondContact O-N 3.23Å |
| 98 | K | 88.5 | Confident | 92.6 | Very high | 177 Ų | 177 | 40.3 Ų | 40.3 | 77% | 0.77 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -57.7 | -40.4 | -174.9 | -174.2 | 179 | 177.6 | -176.5 | 0 | 112.6 | H94 I100 | H94-K98 WeakPolarHBondContact O-CA 3.34Å; H94-K98 WeakPolarHBondContact O-CB 3.47Å; H94-K98 PolarHBondContact O-N 3.24Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 2.94Å |
| 99 | T | 82.5 | Confident | 92.6 | Very high | 104 Ų | 104 | 39.3 Ų | 39.3 | 64% | 0.638 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -74.3 | -19.7 | -176.3 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | G97 | G97-T99 VanDerWaalsContact C-N 3.29Å; G97-T99 PolarHBondContact O-N 3Å |
| 100 | I | 84.5 | Confident | 92.1 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -106 | 4.1 | -171.9 | 68.3 | 159.2 | 0 | 0 | 0 | 112.8 | I64 L68 G97 K98 L102 | I64-I100 HydrophobicContact CG2-CD1 3.53Å; L68-I100 HydrophobicContact CD2-CB 4.2Å; L68-I100 HydrophobicContact CD2-CG2 3.33Å; L68-I100 HydrophobicContact CG-CG2 4.27Å; G97-I100 WeakPolarHBondContact O-CG1 3.24Å; G97-I100 PolarHBondContact O-N 2.79Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 2.94Å; I100-L102 HydrophobicContact CD1-CB 4.19Å; I100-L102 HydrophobicContact CD1-CD1 4.34Å; I100-L102 HydrophobicContact CG1-CB 4.02Å; I100-L102 PolarHBondContact O-N 3.44Å |
| 101 | G | 88.2 | Confident | 91.7 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 33.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G97 S103 | G97-G101 PolarHBondContact O-N 2.96Å; G101-S103 PolarHBondContact O-N 3.35Å |
| 102 | L | 93.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | trans | -61.5 | 107.3 | -177.6 | -176.7 | 78.7 | 0 | 0 | 0 | 111.8 | I64 L67 F93 G97 I100 T104 H126 V127 | I64-L102 HydrophobicContact CD1-CD2 4.36Å; I64-L102 HydrophobicContact CG1-CD2 4.39Å; L67-L102 HydrophobicContact CD1-CD1 3.6Å; F93-L102 HydrophobicContact CB-CD2 3.87Å; F93-L102 HydrophobicContact CD1-CD2 3.8Å; F93-L102 HydrophobicContact CG-CD2 4.34Å; F93-L102 WeakPolarHBondContact O-CD2 3.29Å; G97-L102 WeakPolarHBondContact O-CB 3.25Å; G97-L102 PolarHBondContact O-N 3.23Å; I100-L102 HydrophobicContact CD1-CB 4.19Å; I100-L102 HydrophobicContact CD1-CD1 4.34Å; I100-L102 HydrophobicContact CG1-CB 4.02Å; I100-L102 PolarHBondContact O-N 3.44Å; L102-T104 HydrophobicContact CD2-CG2 3.91Å; L102-T104 HydrophobicContact CG-CG2 4.1Å; L102-H126 HydrophobicContact CD1-CB 3.96Å; L102-V127 HydrophobicContact CD1-CG2 4.23Å | ||
| 103 | S | 94.5 | Very high | 91.7 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | trans | -78.8 | 134.8 | 167.3 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | G101 S123 H126 V127 | G101-S103 PolarHBondContact O-N 3.35Å; S103-S123 PolarHBondContact OG-OG 3.27Å; S103-S123 VanDerWaalsContact OG-OG 3.11Å; S103-H126 PolarHBondContact N-ND1 2.98Å; S103-H126 PolarHBondContact O-N 3.42Å; S103-V127 PolarHBondContact O-N 3.13Å | ||
| 104 | T | 96.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.9 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | Q90 F93 H94 L102 V127 | Q90-T104 WeakPolarHBondContact CG-OG1 3.15Å; Q90-T104 PolarHBondContact NE2-OG1 3.36Å; F93-T104 HydrophobicContact CB-CG2 4.08Å; H94-T104 PolarHBondContact CE1-OG1 2.81Å; H94-T104 PolarHBondContact NE2-OG1 2.89Å; H94-T104 VanDerWaalsContact NE2-OG1 3.08Å; L102-T104 HydrophobicContact CD2-CG2 3.91Å; L102-T104 HydrophobicContact CG-CG2 4.1Å; T104-V127 CarbonylContact C-O 3.56Å; T104-V127 VanDerWaalsContact CA-O 3.24Å; T104-V127 WeakPolarHBondContact CA-O 3.24Å; T104-V127 HydrophobicContact CG2-CB 4.25Å |
| 105 | A | 96.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M120 P125 V127 I129 | A105-M120 HydrophobicContact CB-CG 3.8Å; A105-M120 HydrophobicContact CB-SD 4.18Å; A105-P125 HydrophobicContact CB-CB 3.7Å; A105-P125 HydrophobicContact CB-CG 3.63Å; A105-V127 PolarHBondContact N-O 3.41Å; A105-I129 PolarHBondContact O-N 3.4Å |
| 106 | L | 96.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.7 | 178.9 | -173.4 | 68.8 | 0 | 0 | 0 | 111 | A86 A87 Q90 V108 Q116 I129 | A86-L106 HydrophobicContact CB-CD1 3.44Å; A86-L106 VanDerWaalsContact CB-CD1 3.44Å; A87-L106 HydrophobicContact CB-CD2 4.32Å; Q90-L106 HydrophobicContact CB-CD1 4.42Å; L106-V108 HydrophobicContact CD1-CG1 3.93Å; L106-V108 HydrophobicContact CD2-CG1 4.43Å; L106-V108 HydrophobicContact CD2-CG2 4.08Å; L106-V108 HydrophobicContact CG-CG1 3.93Å; L106-V108 HydrophobicContact CG-CG2 4.07Å; L106-Q116 PolarHBondContact O-NE2 3.38Å; L106-I129 CarbonylContact C-O 3.56Å; L106-I129 WeakPolarHBondContact CA-O 3.37Å; L106-I129 HydrophobicContact CD1-CB 4.26Å; L106-I129 HydrophobicContact CD1-CG2 4.15Å |
| 107 | L | 96.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 88.8 | -179.3 | -49.5 | -175 | 0 | 0 | 0 | 110.3 | Q116 M120 V128 I129 A130 T131 R134 F135 F145 | L107-Q116 HydrophobicContact CD2-CB 4.14Å; L107-Q116 HydrophobicContact CD2-CG 4.46Å; L107-M120 HydrophobicContact CD1-SD 4.34Å; L107-M120 HydrophobicContact CD2-CE 3.89Å; L107-M120 HydrophobicContact CD2-SD 3.9Å; L107-V128 HydrophobicContact CD1-CG1 3.59Å; L107-V128 HydrophobicContact CG-CG1 3.96Å; L107-I129 PolarHBondContact N-O 2.65Å; L107-A130 HydrophobicContact CB-CB 3.8Å; L107-A130 HydrophobicContact CD1-CB 4.45Å; L107-A130 HydrophobicContact CG-CB 4.44Å; L107-A130 WeakPolarHBondContact O-CA 3.44Å; L107-T131 PolarHBondContact O-N 3.43Å; L107-T131 PolarHBondContact O-OG1 3.37Å; L107-R134 HydrophobicContact CB-CG 4.22Å; L107-F135 HydrophobicContact CD1-CD2 4.17Å; L107-F145 HydrophobicContact CD1-CE2 3.94Å; L107-F145 HydrophobicContact CD1-CZ 3.6Å |
| 108 | V | 93.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | trans | -127.8 | 151.6 | -179.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | R83 A86 L106 Q116 T131 | R83-V108 HydrophobicContact CB-CB 3.97Å; R83-V108 HydrophobicContact CB-CG1 4.03Å; R83-V108 HydrophobicContact CG-CB 3.88Å; R83-V108 HydrophobicContact CG-CG1 4.28Å; A86-V108 HydrophobicContact CB-CG1 3.61Å; L106-V108 HydrophobicContact CD1-CG1 3.93Å; L106-V108 HydrophobicContact CD2-CG1 4.43Å; L106-V108 HydrophobicContact CD2-CG2 4.08Å; L106-V108 HydrophobicContact CG-CG1 3.93Å; L106-V108 HydrophobicContact CG-CG2 4.07Å; V108-Q116 PolarHBondContact O-NE2 3.41Å; V108-T131 HydrophobicContact CG1-CG2 4.16Å | ||
| 109 | G | 87.8 | Confident | 91.7 | Very high | 13 Ų | 13 | 46 Ų | 46 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 169.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R83 V111 | R83-G109 VanDerWaalsContact CD-O 3.24Å; R83-G109 WeakPolarHBondContact CD-O 3.39Å; R83-G109 VanDerWaalsContact CZ-CA 3.42Å; R83-G109 PolarHBondContact NE-O 3.16Å; R83-G109 VanDerWaalsContact NE-O 3.15Å; R83-G109 PolarHBondContact NH1-O 3.09Å; G109-V111 PolarHBondContact O-N 3.29Å |
| 110 | G | 83.9 | Confident | 92.3 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 72% | 0.722 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -5.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 111 | V | 87.2 | Confident | 92.6 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -109.1 | 140.5 | 166.7 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | G109 Q116 R134 | G109-V111 PolarHBondContact O-N 3.29Å; V111-Q116 HydrophobicContact CG1-CG 4.08Å; V111-R134 PolarHBondContact O-NH2 3.12Å |
| 112 | P | 91.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | trans | -54.6 | 141.6 | 174.5 | -27.3 | 35.9 | 0 | 0 | 0 | 112.8 | T114 Q115 Q116 R134 | P112-T114 VanDerWaalsContact C-N 3.34Å; P112-Q115 HydrophobicContact CB-CB 4.23Å; P112-Q115 PolarHBondContact O-N 2.95Å; P112-Q116 PolarHBondContact O-N 3.07Å; P112-R134 VanDerWaalsContact C-NH2 3.33Å; P112-R134 PolarHBondContact O-NH2 3.01Å | ||
| 113 | I | 93.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.7 | -34 | -177 | -161.4 | 167.7 | 0 | 0 | 0 | 112.6 | Q116 S117 D137 H138 K141 | I113-Q116 PolarHBondContact O-N 3.26Å; I113-S117 WeakPolarHBondContact O-CB 3.21Å; I113-S117 PolarHBondContact O-N 3.47Å; I113-S117 PolarHBondContact O-OG 3.09Å; I113-D137 HydrophobicContact CD1-CB 4.17Å; I113-H138 WeakPolarHBondContact CG1-CE1 3.37Å; I113-K141 HydrophobicContact CD1-CB 3.74Å; I113-K141 HydrophobicContact CD1-CD 3.94Å; I113-K141 HydrophobicContact CD1-CG 4.43Å |
| 114 | T | 94.3 | Very high | 92.5 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -51.5 | 174.5 | 47.3 | 0 | 0 | 0 | 0 | 110.3 | P112 Q116 S117 D118 | P112-T114 VanDerWaalsContact C-N 3.34Å; T114-Q116 VanDerWaalsContact C-N 3.34Å; T114-Q116 PolarHBondContact O-N 3.09Å; T114-S117 WeakPolarHBondContact CA-OG 3.27Å; T114-S117 CarbonylContact O-C 3.48Å; T114-S117 WeakPolarHBondContact O-CA 3.37Å; T114-S117 PolarHBondContact O-N 2.92Å; T114-S117 PolarHBondContact O-OG 3.33Å; T114-D118 PolarHBondContact O-N 3.25Å; T114-D118 VanDerWaalsContact O-OD2 3.13Å |
| 115 | Q | 93.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 51.9 Ų | 51.9 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56 | -45.2 | 177.1 | -172.5 | -179 | 4.3 | 0 | 0 | 112.5 | P112 D118 L119 | P112-Q115 HydrophobicContact CB-CB 4.23Å; P112-Q115 PolarHBondContact O-N 2.95Å; Q115-D118 PolarHBondContact O-N 3.3Å; Q115-L119 HydrophobicContact CG-CD1 4.48Å; Q115-L119 VanDerWaalsContact O-CG 3.29Å; Q115-L119 WeakPolarHBondContact O-CG 3.41Å; Q115-L119 PolarHBondContact O-N 2.97Å; Q115-L119 VanDerWaalsContact O-N 3.15Å |
| 116 | Q | 94.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 175.9 | -77 | 172.4 | -12.4 | 0 | 0 | 112.1 | L106 L107 V108 V111 P112 I113 T114 M120 R134 H138 | L106-Q116 PolarHBondContact O-NE2 3.38Å; L107-Q116 HydrophobicContact CD2-CB 4.14Å; L107-Q116 HydrophobicContact CD2-CG 4.46Å; V108-Q116 PolarHBondContact O-NE2 3.41Å; V111-Q116 HydrophobicContact CG1-CG 4.08Å; P112-Q116 PolarHBondContact O-N 3.07Å; I113-Q116 PolarHBondContact O-N 3.26Å; T114-Q116 VanDerWaalsContact C-N 3.34Å; T114-Q116 PolarHBondContact O-N 3.09Å; Q116-M120 WeakPolarHBondContact O-CG 3.44Å; Q116-M120 PolarHBondContact O-N 2.97Å; Q116-R134 VanDerWaalsContact OE1-CZ 3.28Å; Q116-H138 PolarHBondContact OE1-NE2 3.33Å |
| 117 | S | 93.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 178.6 | 72.5 | 0 | 0 | 0 | 0 | 113 | I113 T114 M120 K121 | I113-S117 WeakPolarHBondContact O-CB 3.21Å; I113-S117 PolarHBondContact O-N 3.47Å; I113-S117 PolarHBondContact O-OG 3.09Å; T114-S117 WeakPolarHBondContact CA-OG 3.27Å; T114-S117 CarbonylContact O-C 3.48Å; T114-S117 WeakPolarHBondContact O-CA 3.37Å; T114-S117 PolarHBondContact O-N 2.92Å; T114-S117 PolarHBondContact O-OG 3.33Å; S117-M120 PolarHBondContact O-N 2.89Å; S117-K121 WeakPolarHBondContact O-CG 3.3Å; S117-K121 PolarHBondContact O-N 2.9Å; S117-K121 VanDerWaalsContact O-N 3.14Å |
| 118 | D | 93.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.3 | -38.9 | -178.3 | -63.7 | -29.3 | 0 | 0 | 0 | 110.7 | T114 Q115 M120 K121 V122 | T114-D118 PolarHBondContact O-N 3.25Å; T114-D118 VanDerWaalsContact O-OD2 3.13Å; Q115-D118 PolarHBondContact O-N 3.3Å; D118-M120 VanDerWaalsContact C-N 3.32Å; D118-M120 PolarHBondContact O-N 3.08Å; D118-K121 PolarHBondContact O-N 3.03Å; D118-K121 VanDerWaalsContact O-N 3.1Å; D118-K121 IonicContact OD1-NZ 2.75Å; D118-K121 PolarHBondContact OD1-NZ 3.1Å; D118-K121 VanDerWaalsContact OD1-NZ 3.11Å; D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 3.41Å |
| 119 | L | 91.2 | Very high | 92.9 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.4 | -43.2 | 171.3 | -72.3 | 170.6 | 0 | 0 | 0 | 112.2 | Q115 K121 V122 S123 | Q115-L119 HydrophobicContact CG-CD1 4.48Å; Q115-L119 VanDerWaalsContact O-CG 3.29Å; Q115-L119 WeakPolarHBondContact O-CG 3.41Å; Q115-L119 PolarHBondContact O-N 2.97Å; Q115-L119 VanDerWaalsContact O-N 3.15Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.14Å; L119-V122 PolarHBondContact O-N 2.78Å; L119-S123 PolarHBondContact O-N 3Å |
| 120 | M | 93.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69 | -23.7 | 177.2 | -71.7 | -171 | -67.5 | 0 | 0 | 113.9 | F74 A105 L107 Q116 S117 D118 P125 F145 | F74-M120 HydrophobicContact CE1-SD 4.5Å; A105-M120 HydrophobicContact CB-CG 3.8Å; A105-M120 HydrophobicContact CB-SD 4.18Å; L107-M120 HydrophobicContact CD1-SD 4.34Å; L107-M120 HydrophobicContact CD2-CE 3.89Å; L107-M120 HydrophobicContact CD2-SD 3.9Å; Q116-M120 WeakPolarHBondContact O-CG 3.44Å; Q116-M120 PolarHBondContact O-N 2.97Å; S117-M120 PolarHBondContact O-N 2.89Å; D118-M120 VanDerWaalsContact C-N 3.32Å; D118-M120 PolarHBondContact O-N 3.08Å; M120-P125 HydrophobicContact CG-CG 4.4Å; M120-F145 HydrophobicContact CE-CD2 3.95Å; M120-F145 HydrophobicContact CE-CE2 3.82Å; M120-F145 HydrophobicContact SD-CD2 4.41Å; M120-F145 HydrophobicContact SD-CE2 3.91Å |
| 121 | K | 90.6 | Very high | 93.8 | Very high | 134 Ų | 134 | 47.6 Ų | 47.6 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -78.3 | -42.7 | 174.2 | -70.4 | 170.6 | -167.4 | 158.7 | 0 | 111.3 | S117 D118 L119 | S117-K121 WeakPolarHBondContact O-CG 3.3Å; S117-K121 PolarHBondContact O-N 2.9Å; S117-K121 VanDerWaalsContact O-N 3.14Å; D118-K121 PolarHBondContact O-N 3.03Å; D118-K121 VanDerWaalsContact O-N 3.1Å; D118-K121 IonicContact OD1-NZ 2.75Å; D118-K121 PolarHBondContact OD1-NZ 3.1Å; D118-K121 VanDerWaalsContact OD1-NZ 3.11Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.14Å |
| 122 | V | 91 | Very high | 94.1 | Very high | 128 Ų | 128 | 45.1 Ų | 45.1 | 78% | 0.776 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68 | -43.8 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | D118 L119 | D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 3.41Å; L119-V122 PolarHBondContact O-N 2.78Å |
| 123 | S | 90.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 42% | 0.42 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -132.8 | 96.9 | 176 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | S103 L119 P125 | S103-S123 PolarHBondContact OG-OG 3.27Å; S103-S123 VanDerWaalsContact OG-OG 3.11Å; L119-S123 PolarHBondContact O-N 3Å; S123-P125 WeakPolarHBondContact O-CD 3.39Å; S123-P125 VanDerWaalsContact O-N 3.16Å |
| 124 | P | 93.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | trans | -55 | 118.6 | 173.3 | -27.7 | 36.5 | 0 | 0 | 0 | 110.7 | P73 F74 | P73-P124 HydrophobicContact CB-CB 3.85Å; P73-P124 HydrophobicContact CG-CB 3.91Å; F74-P124 HydrophobicContact CE2-CB 4.27Å | ||
| 125 | P | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | trans | -74.6 | 147.5 | -175.5 | 31.7 | -38.2 | 0 | 0 | 0 | 111.3 | P73 F74 A105 M120 S123 V128 | P73-P125 CarbonylContact C-O 3.44Å; P73-P125 WeakPolarHBondContact CA-O 3.39Å; F74-P125 HydrophobicContact CD1-CG 4.38Å; F74-P125 HydrophobicContact CE1-CG 3.84Å; F74-P125 HydrophobicContact CZ-CG 3.91Å; F74-P125 PolarHBondContact N-O 3Å; A105-P125 HydrophobicContact CB-CB 3.7Å; A105-P125 HydrophobicContact CB-CG 3.63Å; M120-P125 HydrophobicContact CG-CG 4.4Å; S123-P125 WeakPolarHBondContact O-CD 3.39Å; S123-P125 VanDerWaalsContact O-N 3.16Å; P125-V128 HydrophobicContact CG-CG2 3.83Å | ||
| 126 | H | 96.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -76.6 | -37.3 | 165.7 | -52.7 | 106.9 | 0 | 0 | 0 | 110.8 | L67 F75 A76 L102 S103 | L67-H126 HydrophobicContact CD1-CB 4.06Å; L67-H126 HydrophobicContact CD2-CB 4.03Å; F75-H126 WeakPolarHBondContact CB-O 3.49Å; F75-H126 PolarHBondContact N-O 2.99Å; A76-H126 PolarHBondContact N-O 3.12Å; L102-H126 HydrophobicContact CD1-CB 3.96Å; S103-H126 PolarHBondContact N-ND1 2.98Å; S103-H126 PolarHBondContact O-N 3.42Å |
| 127 | V | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.6 | -177.9 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | I63 L67 A76 I78 F93 L102 S103 T104 A105 I129 | I63-V127 HydrophobicContact CG2-CG2 4.35Å; L67-V127 HydrophobicContact CD1-CG2 3.97Å; A76-V127 HydrophobicContact CB-CG1 4.32Å; A76-V127 HydrophobicContact CB-CG2 4.33Å; A76-V127 WeakPolarHBondContact O-CA 3.4Å; I78-V127 HydrophobicContact CD1-CG1 3.62Å; I78-V127 HydrophobicContact CG1-CG1 4.01Å; F93-V127 HydrophobicContact CD1-CB 4.46Å; F93-V127 HydrophobicContact CD1-CG1 4.27Å; F93-V127 HydrophobicContact CD1-CG2 4.04Å; F93-V127 HydrophobicContact CE1-CG1 4.08Å; F93-V127 HydrophobicContact CE1-CG2 3.99Å; F93-V127 HydrophobicContact CZ-CG1 4.44Å; L102-V127 HydrophobicContact CD1-CG2 4.23Å; S103-V127 PolarHBondContact O-N 3.13Å; T104-V127 CarbonylContact C-O 3.56Å; T104-V127 VanDerWaalsContact CA-O 3.24Å; T104-V127 WeakPolarHBondContact CA-O 3.24Å; T104-V127 HydrophobicContact CG2-CB 4.25Å; A105-V127 PolarHBondContact N-O 3.41Å; V127-I129 HydrophobicContact CG1-CG1 4.06Å |
| 128 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.6 | 172 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | F74 A76 L77 I78 L107 P125 A130 F135 F150 | F74-V128 HydrophobicContact CD1-CG2 3.69Å; F74-V128 HydrophobicContact CE1-CG2 3.9Å; A76-V128 PolarHBondContact O-N 2.83Å; L77-V128 CarbonylContact C-O 3.51Å; L77-V128 WeakPolarHBondContact CA-O 3.38Å; L77-V128 HydrophobicContact CD1-CB 4.03Å; L77-V128 HydrophobicContact CD1-CG1 3.88Å; I78-V128 PolarHBondContact N-O 2.99Å; L107-V128 HydrophobicContact CD1-CG1 3.59Å; L107-V128 HydrophobicContact CG-CG1 3.96Å; P125-V128 HydrophobicContact CG-CG2 3.83Å; V128-A130 HydrophobicContact CG1-CB 4.5Å; V128-F135 HydrophobicContact CG1-CE2 4.38Å; V128-F150 HydrophobicContact CG2-CE1 4.41Å |
| 129 | I | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.7 | 177.3 | -56.6 | 162.8 | 0 | 0 | 0 | 107.5 | I78 V80 A86 V89 Q90 F93 A105 L106 L107 V127 | I78-I129 HydrophobicContact CB-CG1 4.23Å; I78-I129 HydrophobicContact CD1-CG1 4.21Å; I78-I129 WeakPolarHBondContact O-CA 3.45Å; V80-I129 HydrophobicContact CG2-CG2 4.35Å; A86-I129 HydrophobicContact CB-CG2 3.98Å; V89-I129 HydrophobicContact CB-CG2 4.33Å; V89-I129 HydrophobicContact CG1-CD1 3.95Å; V89-I129 HydrophobicContact CG1-CG1 4.33Å; V89-I129 HydrophobicContact CG1-CG2 4.28Å; Q90-I129 HydrophobicContact CB-CD1 3.63Å; Q90-I129 HydrophobicContact CG-CD1 4.22Å; F93-I129 HydrophobicContact CD2-CD1 4.39Å; A105-I129 PolarHBondContact O-N 3.4Å; L106-I129 CarbonylContact C-O 3.56Å; L106-I129 WeakPolarHBondContact CA-O 3.37Å; L106-I129 HydrophobicContact CD1-CB 4.26Å; L106-I129 HydrophobicContact CD1-CG2 4.15Å; L107-I129 PolarHBondContact N-O 2.65Å; V127-I129 HydrophobicContact CG1-CG1 4.06Å |
| 130 | A | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L77 I78 L79 V80 L107 V128 F135 | L77-A130 HydrophobicContact CD1-CB 4.35Å; I78-A130 PolarHBondContact O-N 3.29Å; L79-A130 WeakPolarHBondContact CA-O 3.4Å; L79-A130 HydrophobicContact CD2-CB 4.36Å; V80-A130 PolarHBondContact N-O 2.95Å; L107-A130 HydrophobicContact CB-CB 3.8Å; L107-A130 HydrophobicContact CD1-CB 4.45Å; L107-A130 HydrophobicContact CG-CB 4.44Å; L107-A130 WeakPolarHBondContact O-CA 3.44Å; V128-A130 HydrophobicContact CG1-CB 4.5Å; A130-F135 HydrophobicContact CB-CB 3.99Å; A130-F135 HydrophobicContact CB-CD2 3.85Å; A130-F135 HydrophobicContact CB-CG 4.4Å |
| 131 | T | 93.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | trans | -78.9 | 135.4 | 157.7 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | V80 R83 L107 V108 G133 R134 F135 | V80-T131 WeakPolarHBondContact O-CA 3.28Å; R83-T131 HydrophobicContact CG-CG2 4.3Å; L107-T131 PolarHBondContact O-N 3.43Å; L107-T131 PolarHBondContact O-OG1 3.37Å; V108-T131 HydrophobicContact CG1-CG2 4.16Å; T131-G133 VanDerWaalsContact C-N 3.35Å; T131-G133 PolarHBondContact O-N 2.78Å; T131-R134 PolarHBondContact O-N 2.99Å; T131-R134 WeakPolarHBondContact OG1-CB 3.38Å; T131-F135 PolarHBondContact O-N 3.03Å | ||
| 132 | P | 93.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.8 | -47.5 | -173 | -30.6 | 34.2 | 0 | 0 | 0 | 114.3 | V80 R134 F135 V136 M164 F169 V172 I173 I176 | V80-P132 VanDerWaalsContact O-CD 3.25Å; V80-P132 WeakPolarHBondContact O-CD 3.37Å; P132-R134 VanDerWaalsContact C-N 3.3Å; P132-R134 PolarHBondContact O-N 3.02Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å; P132-V136 PolarHBondContact O-N 3.41Å; P132-M164 HydrophobicContact CG-SD 3.82Å; P132-F169 HydrophobicContact CB-CD1 4.18Å; P132-F169 HydrophobicContact CB-CE1 4.48Å; P132-F169 HydrophobicContact CG-CD1 4.2Å; P132-F169 HydrophobicContact CG-CE1 4.36Å; P132-V172 HydrophobicContact CB-CG1 3.51Å; P132-V172 WeakPolarHBondContact O-CG1 3.41Å; P132-I173 HydrophobicContact CB-CD1 3.81Å; P132-I173 HydrophobicContact CG-CD1 3.62Å; P132-I176 HydrophobicContact CB-CD1 3.97Å |
| 133 | G | 92.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 40 Ų | 40 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.4 | -39.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T131 V136 D137 | T131-G133 VanDerWaalsContact C-N 3.35Å; T131-G133 PolarHBondContact O-N 2.78Å; G133-V136 PolarHBondContact O-N 2.69Å; G133-D137 PolarHBondContact O-N 3.03Å |
| 134 | R | 94.2 | Very high | 94.8 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.5 | -35.8 | 177.8 | -175.4 | 53.7 | 171.2 | -149.2 | -15.5 | 112.6 | L107 V111 P112 Q116 T131 P132 V136 D137 H138 | L107-R134 HydrophobicContact CB-CG 4.22Å; V111-R134 PolarHBondContact O-NH2 3.12Å; P112-R134 VanDerWaalsContact C-NH2 3.33Å; P112-R134 PolarHBondContact O-NH2 3.01Å; Q116-R134 VanDerWaalsContact OE1-CZ 3.28Å; T131-R134 PolarHBondContact O-N 2.99Å; T131-R134 WeakPolarHBondContact OG1-CB 3.38Å; P132-R134 VanDerWaalsContact C-N 3.3Å; P132-R134 PolarHBondContact O-N 3.02Å; R134-V136 VanDerWaalsContact C-N 3.31Å; R134-V136 PolarHBondContact O-N 2.92Å; R134-D137 WeakPolarHBondContact O-CB 3.44Å; R134-D137 PolarHBondContact O-N 3.11Å; R134-H138 PolarHBondContact O-CD2 2.87Å; R134-H138 PolarHBondContact O-N 3.14Å; R134-H138 VanDerWaalsContact O-N 3.09Å |
| 135 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 173.3 | -169.7 | -83.4 | 0 | 0 | 0 | 110.6 | L77 L107 V128 A130 T131 P132 D137 H138 L139 F145 F150 I176 | L77-F135 HydrophobicContact CD1-CD2 3.75Å; L77-F135 HydrophobicContact CD1-CE2 3.48Å; L77-F135 VanDerWaalsContact CD1-CE2 3.48Å; L77-F135 HydrophobicContact CD1-CZ 4.38Å; L77-F135 HydrophobicContact CD2-CD2 4.3Å; L77-F135 HydrophobicContact CD2-CE1 4.41Å; L77-F135 HydrophobicContact CD2-CE2 3.66Å; L77-F135 HydrophobicContact CD2-CZ 3.71Å; L77-F135 HydrophobicContact CG-CE2 4.22Å; L107-F135 HydrophobicContact CD1-CD2 4.17Å; V128-F135 HydrophobicContact CG1-CE2 4.38Å; A130-F135 HydrophobicContact CB-CB 3.99Å; A130-F135 HydrophobicContact CB-CD2 3.85Å; A130-F135 HydrophobicContact CB-CG 4.4Å; T131-F135 PolarHBondContact O-N 3.03Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å; F135-D137 VanDerWaalsContact C-N 3.33Å; F135-D137 PolarHBondContact O-N 2.77Å; F135-H138 WeakPolarHBondContact O-CB 3.3Å; F135-H138 PolarHBondContact O-N 3.14Å; F135-H138 VanDerWaalsContact O-N 3.11Å; F135-L139 HydrophobicContact CD1-CD1 3.95Å; F135-L139 HydrophobicContact CD1-CG 4.04Å; F135-L139 HydrophobicContact CE1-CD1 3.91Å; F135-L139 HydrophobicContact CE1-CD2 3.97Å; F135-L139 HydrophobicContact CE1-CG 3.95Å; F135-L139 PolarHBondContact O-N 3.34Å; F135-F145 HydrophobicContact CD1-CE1 4.24Å; F135-F145 HydrophobicContact CD2-CE1 4.19Å; F135-F145 AromaticContact CD2-CZ 3.94Å; F135-F145 HydrophobicContact CD2-CZ 3.94Å; F135-F145 HydrophobicContact CE1-CE1 4.02Å; F135-F145 AromaticContact CE2-CE1 3.93Å; F135-F145 HydrophobicContact CE2-CE1 3.93Å; F135-F145 AromaticContact CE2-CZ 3.62Å; F135-F145 HydrophobicContact CE2-CZ 3.62Å; F135-F145 HydrophobicContact CG-CE1 4.35Å; F135-F145 AromaticContact CZ-CE1 3.86Å; F135-F145 HydrophobicContact CZ-CE1 3.86Å; F135-F145 AromaticContact CZ-CZ 3.97Å; F135-F145 HydrophobicContact CZ-CZ 3.97Å; F135-F150 AromaticContact CE2-CE1 3.94Å; F135-F150 HydrophobicContact CE2-CE1 3.94Å; F135-F150 HydrophobicContact CE2-CE2 4.19Å; F135-F150 AromaticContact CE2-CZ 3.52Å; F135-F150 HydrophobicContact CE2-CZ 3.52Å; F135-F150 HydrophobicContact CZ-CD2 4.3Å; F135-F150 AromaticContact CZ-CE1 3.91Å; F135-F150 HydrophobicContact CZ-CE1 3.91Å; F135-F150 AromaticContact CZ-CE2 3.64Å; F135-F150 HydrophobicContact CZ-CE2 3.64Å; F135-F150 AromaticContact CZ-CZ 3.42Å; F135-F150 HydrophobicContact CZ-CZ 3.42Å; F135-F150 VanDerWaalsContact CZ-CZ 3.42Å; F135-I176 HydrophobicContact CB-CD1 4.19Å; F135-I176 HydrophobicContact CD1-CD1 4.02Å; F135-I176 HydrophobicContact CD1-CG1 3.68Å; F135-I176 HydrophobicContact CD1-CG2 4.2Å; F135-I176 HydrophobicContact CE1-CG1 4.17Å; F135-I176 HydrophobicContact CE1-CG2 3.97Å; F135-I176 HydrophobicContact CG-CD1 4.32Å; F135-I176 HydrophobicContact CG-CG1 4.46Å |
| 136 | V | 94.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -33.5 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | P132 G133 R134 H138 L139 K140 V172 K175 I176 | P132-V136 PolarHBondContact O-N 3.41Å; G133-V136 PolarHBondContact O-N 2.69Å; R134-V136 VanDerWaalsContact C-N 3.31Å; R134-V136 PolarHBondContact O-N 2.92Å; V136-H138 VanDerWaalsContact C-N 3.32Å; V136-H138 PolarHBondContact O-N 2.79Å; V136-L139 HydrophobicContact CG2-CD1 4.29Å; V136-L139 WeakPolarHBondContact O-CB 3.43Å; V136-L139 PolarHBondContact O-N 2.99Å; V136-K140 HydrophobicContact CG1-CD 4.45Å; V136-K140 WeakPolarHBondContact O-CG 3.35Å; V136-K140 PolarHBondContact O-N 3.21Å; V136-K140 VanDerWaalsContact O-N 3.17Å; V136-V172 HydrophobicContact CB-CG1 4.27Å; V136-V172 HydrophobicContact CG2-CB 4.47Å; V136-V172 HydrophobicContact CG2-CG1 3.57Å; V136-K175 HydrophobicContact CG1-CD 4.42Å; V136-K175 HydrophobicContact CG2-CB 4.35Å; V136-I176 HydrophobicContact CG2-CD1 4.2Å; V136-I176 HydrophobicContact CG2-CG1 3.81Å |
| 137 | D | 94.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 170.3 | -82.8 | -23.5 | 0 | 0 | 0 | 112.2 | I113 G133 R134 F135 K140 K141 | I113-D137 HydrophobicContact CD1-CB 4.17Å; G133-D137 PolarHBondContact O-N 3.03Å; R134-D137 WeakPolarHBondContact O-CB 3.44Å; R134-D137 PolarHBondContact O-N 3.11Å; F135-D137 VanDerWaalsContact C-N 3.33Å; F135-D137 PolarHBondContact O-N 2.77Å; D137-K140 PolarHBondContact O-N 2.76Å; D137-K141 VanDerWaalsContact O-CB 3.32Å; D137-K141 WeakPolarHBondContact O-CB 3.2Å; D137-K141 WeakPolarHBondContact O-CG 3.44Å; D137-K141 PolarHBondContact O-N 3.43Å; D137-K141 IonicContact OD1-NZ 2.98Å |
| 138 | H | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.9 | -83 | -77.9 | 0 | 0 | 0 | 112 | I113 Q116 R134 F135 V136 K140 K141 T142 F145 | I113-H138 WeakPolarHBondContact CG1-CE1 3.37Å; Q116-H138 PolarHBondContact OE1-NE2 3.33Å; R134-H138 PolarHBondContact O-CD2 2.87Å; R134-H138 PolarHBondContact O-N 3.14Å; R134-H138 VanDerWaalsContact O-N 3.09Å; F135-H138 WeakPolarHBondContact O-CB 3.3Å; F135-H138 PolarHBondContact O-N 3.14Å; F135-H138 VanDerWaalsContact O-N 3.11Å; V136-H138 VanDerWaalsContact C-N 3.32Å; V136-H138 PolarHBondContact O-N 2.79Å; H138-K140 PolarHBondContact O-N 3.04Å; H138-K141 PolarHBondContact O-N 2.83Å; H138-T142 PolarHBondContact ND1-OG1 3.22Å; H138-T142 WeakPolarHBondContact O-CB 3.4Å; H138-T142 PolarHBondContact O-N 2.83Å; H138-F145 VanDerWaalsContact C-CD1 3.48Å; H138-F145 HydrophobicContact CB-CD1 3.47Å; H138-F145 VanDerWaalsContact CB-CD1 3.47Å; H138-F145 HydrophobicContact CB-CD2 4.31Å; H138-F145 HydrophobicContact CB-CE1 3.44Å; H138-F145 VanDerWaalsContact CB-CE1 3.44Å; H138-F145 HydrophobicContact CB-CE2 4.28Å; H138-F145 HydrophobicContact CB-CG 3.92Å; H138-F145 HydrophobicContact CB-CZ 3.85Å |
| 139 | L | 94.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.6 | -34.9 | 174.1 | -67.2 | 175 | 0 | 0 | 0 | 112.4 | F135 V136 F145 I179 | F135-L139 HydrophobicContact CD1-CD1 3.95Å; F135-L139 HydrophobicContact CD1-CG 4.04Å; F135-L139 HydrophobicContact CE1-CD1 3.91Å; F135-L139 HydrophobicContact CE1-CD2 3.97Å; F135-L139 HydrophobicContact CE1-CG 3.95Å; F135-L139 PolarHBondContact O-N 3.34Å; V136-L139 HydrophobicContact CG2-CD1 4.29Å; V136-L139 WeakPolarHBondContact O-CB 3.43Å; V136-L139 PolarHBondContact O-N 2.99Å; L139-F145 WeakPolarHBondContact CA-O 3.36Å; L139-F145 HydrophobicContact CD2-CD1 3.75Å; L139-F145 HydrophobicContact CD2-CE1 3.97Å; L139-F145 WeakPolarHBondContact CD2-O 3.3Å; L139-F145 HydrophobicContact CG-CD1 4.13Å; L139-F145 HydrophobicContact CG-CE1 4.16Å; L139-I179 HydrophobicContact CD1-CG1 3.92Å; L139-I179 HydrophobicContact CD2-CB 4.3Å; L139-I179 HydrophobicContact CD2-CG1 3.99Å; L139-I179 HydrophobicContact CD2-CG2 3.79Å |
| 140 | K | 93.6 | Very high | 93.6 | Very high | 145 Ų | 145 | 53.3 Ų | 53.3 | 63% | 0.63 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -85.1 | -34.2 | -178.7 | -68.6 | 174.9 | -179.8 | 179.9 | 0 | 114 | V136 D137 H138 | V136-K140 HydrophobicContact CG1-CD 4.45Å; V136-K140 WeakPolarHBondContact O-CG 3.35Å; V136-K140 PolarHBondContact O-N 3.21Å; V136-K140 VanDerWaalsContact O-N 3.17Å; D137-K140 PolarHBondContact O-N 2.76Å; H138-K140 PolarHBondContact O-N 3.04Å |
| 141 | K | 94.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 56.2 Ų | 56.2 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -118 | -18.5 | -162.7 | -64 | 174 | -178.6 | 169 | 0 | 114.1 | I113 D137 H138 | I113-K141 HydrophobicContact CD1-CB 3.74Å; I113-K141 HydrophobicContact CD1-CD 3.94Å; I113-K141 HydrophobicContact CD1-CG 4.43Å; D137-K141 VanDerWaalsContact O-CB 3.32Å; D137-K141 WeakPolarHBondContact O-CB 3.2Å; D137-K141 WeakPolarHBondContact O-CG 3.44Å; D137-K141 PolarHBondContact O-N 3.43Å; D137-K141 IonicContact OD1-NZ 2.98Å; H138-K141 PolarHBondContact O-N 2.83Å |
| 142 | T | 94.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -99.4 | 115.6 | -179 | -60 | 0 | 0 | 0 | 0 | 110 | H138 G144 F145 | H138-T142 PolarHBondContact ND1-OG1 3.22Å; H138-T142 WeakPolarHBondContact O-CB 3.4Å; H138-T142 PolarHBondContact O-N 2.83Å; T142-G144 PolarHBondContact O-N 3.44Å; T142-F145 HydrophobicContact CG2-CB 3.89Å; T142-F145 WeakPolarHBondContact O-CB 3.47Å; T142-F145 PolarHBondContact O-N 3.12Å; T142-F145 VanDerWaalsContact O-N 3.11Å |
| 143 | K | 91.7 | Very high | 93.6 | Very high | 207 Ų | 207 | 59.6 Ų | 59.6 | 90% | 0.9 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 128.6 | 177.1 | -172.7 | 178.1 | -179.4 | 179.5 | 0 | 110.7 | F145 | K143-F145 VanDerWaalsContact C-N 3.3Å; K143-F145 PolarHBondContact O-N 3.02Å |
| 144 | G | 91.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 16.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T142 K149 | T142-G144 PolarHBondContact O-N 3.44Å; G144-K149 WeakPolarHBondContact O-CB 3.32Å; G144-K149 WeakPolarHBondContact O-CD 3.43Å |
| 145 | F | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | trans | -99.3 | 76 | 169.8 | -165.7 | -88.9 | 0 | 0 | 0 | 108.3 | L107 M120 F135 H138 L139 T142 K143 F150 | L107-F145 HydrophobicContact CD1-CE2 3.94Å; L107-F145 HydrophobicContact CD1-CZ 3.6Å; M120-F145 HydrophobicContact CE-CD2 3.95Å; M120-F145 HydrophobicContact CE-CE2 3.82Å; M120-F145 HydrophobicContact SD-CD2 4.41Å; M120-F145 HydrophobicContact SD-CE2 3.91Å; F135-F145 HydrophobicContact CD1-CE1 4.24Å; F135-F145 HydrophobicContact CD2-CE1 4.19Å; F135-F145 AromaticContact CD2-CZ 3.94Å; F135-F145 HydrophobicContact CD2-CZ 3.94Å; F135-F145 HydrophobicContact CE1-CE1 4.02Å; F135-F145 AromaticContact CE2-CE1 3.93Å; F135-F145 HydrophobicContact CE2-CE1 3.93Å; F135-F145 AromaticContact CE2-CZ 3.62Å; F135-F145 HydrophobicContact CE2-CZ 3.62Å; F135-F145 HydrophobicContact CG-CE1 4.35Å; F135-F145 AromaticContact CZ-CE1 3.86Å; F135-F145 HydrophobicContact CZ-CE1 3.86Å; F135-F145 AromaticContact CZ-CZ 3.97Å; F135-F145 HydrophobicContact CZ-CZ 3.97Å; H138-F145 VanDerWaalsContact C-CD1 3.48Å; H138-F145 HydrophobicContact CB-CD1 3.47Å; H138-F145 VanDerWaalsContact CB-CD1 3.47Å; H138-F145 HydrophobicContact CB-CD2 4.31Å; H138-F145 HydrophobicContact CB-CE1 3.44Å; H138-F145 VanDerWaalsContact CB-CE1 3.44Å; H138-F145 HydrophobicContact CB-CE2 4.28Å; H138-F145 HydrophobicContact CB-CG 3.92Å; H138-F145 HydrophobicContact CB-CZ 3.85Å; L139-F145 WeakPolarHBondContact CA-O 3.36Å; L139-F145 HydrophobicContact CD2-CD1 3.75Å; L139-F145 HydrophobicContact CD2-CE1 3.97Å; L139-F145 WeakPolarHBondContact CD2-O 3.3Å; L139-F145 HydrophobicContact CG-CD1 4.13Å; L139-F145 HydrophobicContact CG-CE1 4.16Å; T142-F145 HydrophobicContact CG2-CB 3.89Å; T142-F145 WeakPolarHBondContact O-CB 3.47Å; T142-F145 PolarHBondContact O-N 3.12Å; T142-F145 VanDerWaalsContact O-N 3.11Å; K143-F145 VanDerWaalsContact C-N 3.3Å; K143-F145 PolarHBondContact O-N 3.02Å; F145-F150 HydrophobicContact CD1-CE2 4.06Å; F145-F150 HydrophobicContact CD2-CE2 4.19Å; F145-F150 HydrophobicContact CD2-CZ 4.33Å; F145-F150 AromaticContact CE1-CE2 3.74Å; F145-F150 HydrophobicContact CE1-CE2 3.74Å; F145-F150 AromaticContact CE1-CZ 3.95Å; F145-F150 HydrophobicContact CE1-CZ 3.95Å; F145-F150 AromaticContact CE2-CE2 3.88Å; F145-F150 HydrophobicContact CE2-CE2 3.88Å; F145-F150 AromaticContact CE2-CZ 3.61Å; F145-F150 HydrophobicContact CE2-CZ 3.61Å; F145-F150 HydrophobicContact CG-CE2 4.29Å; F145-F150 AromaticContact CZ-CE2 3.66Å; F145-F150 HydrophobicContact CZ-CE2 3.66Å; F145-F150 AromaticContact CZ-CZ 3.4Å; F145-F150 HydrophobicContact CZ-CZ 3.4Å; F145-F150 VanDerWaalsContact CZ-CZ 3.4Å | ||
| 146 | D | 92.7 | Very high | 94 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -141.2 | -171.6 | -170.5 | 53 | 34.3 | 0 | 0 | 0 | 110.7 | L148 K149 F150 | D146-L148 PolarHBondContact O-N 3.09Å; D146-L148 WeakPolarHBondContact OD1-CB 3.46Å; D146-L148 PolarHBondContact OD1-N 2.83Å; D146-L148 VanDerWaalsContact OD1-N 3.12Å; D146-K149 VanDerWaalsContact O-CB 3.3Å; D146-K149 WeakPolarHBondContact O-CB 3.3Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 VanDerWaalsContact O-N 3.09Å; D146-K149 PolarHBondContact OD1-N 3.11Å; D146-F150 WeakPolarHBondContact O-CD2 3.44Å; D146-F150 PolarHBondContact O-N 3.49Å |
| 147 | E | 90.1 | Very high | 94.2 | Very high | 122 Ų | 122 | 61.6 Ų | 61.6 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.8 | 180 | 63.2 | -171.6 | -170.5 | 0 | 0 | 113.6 | K149 F150 S151 I179 | E147-K149 VanDerWaalsContact C-N 3.31Å; E147-K149 PolarHBondContact O-N 3.42Å; E147-F150 CarbonylContact O-C 3.54Å; E147-F150 PolarHBondContact O-N 3.26Å; E147-S151 PolarHBondContact O-N 3.08Å; E147-I179 HydrophobicContact CB-CG2 4.3Å |
| 148 | L | 91.2 | Very high | 94.2 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 68% | 0.675 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -39.4 | 178.4 | -64.2 | 173 | 0 | 0 | 0 | 110.5 | D146 F150 S151 | D146-L148 PolarHBondContact O-N 3.09Å; D146-L148 WeakPolarHBondContact OD1-CB 3.46Å; D146-L148 PolarHBondContact OD1-N 2.83Å; D146-L148 VanDerWaalsContact OD1-N 3.12Å; L148-F150 VanDerWaalsContact C-N 3.27Å; L148-F150 PolarHBondContact O-N 3.34Å; L148-S151 WeakPolarHBondContact O-CB 3.34Å; L148-S151 PolarHBondContact O-N 2.97Å; L148-S151 PolarHBondContact O-OG 3.3Å |
| 149 | K | 93 | Very high | 94.1 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -34.7 | 176.8 | -163.4 | 73.5 | -177.9 | -171.4 | 0 | 112.7 | F74 G144 D146 E147 | F74-K149 HydrophobicContact CD1-CG 4.45Å; F74-K149 HydrophobicContact CE1-CG 4.22Å; F74-K149 HydrophobicContact CE2-CD 4.23Å; F74-K149 HydrophobicContact CE2-CG 4.37Å; F74-K149 HydrophobicContact CZ-CD 4.26Å; F74-K149 HydrophobicContact CZ-CG 4.19Å; G144-K149 WeakPolarHBondContact O-CB 3.32Å; G144-K149 WeakPolarHBondContact O-CD 3.43Å; D146-K149 VanDerWaalsContact O-CB 3.3Å; D146-K149 WeakPolarHBondContact O-CB 3.3Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 VanDerWaalsContact O-N 3.09Å; D146-K149 PolarHBondContact OD1-N 3.11Å; E147-K149 VanDerWaalsContact C-N 3.31Å; E147-K149 PolarHBondContact O-N 3.42Å |
| 150 | F | 94.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 6.6 | -177.6 | -68.3 | -79.8 | 0 | 0 | 0 | 113.8 | F74 V128 F135 F145 D146 E147 L148 N152 L153 I179 P181 | F74-F150 HydrophobicContact CB-CD1 4.41Å; F74-F150 HydrophobicContact CD1-CD1 4.3Å; F74-F150 AromaticContact CD1-CE1 3.78Å; F74-F150 HydrophobicContact CD1-CE1 3.78Å; F74-F150 HydrophobicContact CD1-CZ 4.18Å; V128-F150 HydrophobicContact CG2-CE1 4.41Å; F135-F150 AromaticContact CE2-CE1 3.94Å; F135-F150 HydrophobicContact CE2-CE1 3.94Å; F135-F150 HydrophobicContact CE2-CE2 4.19Å; F135-F150 AromaticContact CE2-CZ 3.52Å; F135-F150 HydrophobicContact CE2-CZ 3.52Å; F135-F150 HydrophobicContact CZ-CD2 4.3Å; F135-F150 AromaticContact CZ-CE1 3.91Å; F135-F150 HydrophobicContact CZ-CE1 3.91Å; F135-F150 AromaticContact CZ-CE2 3.64Å; F135-F150 HydrophobicContact CZ-CE2 3.64Å; F135-F150 AromaticContact CZ-CZ 3.42Å; F135-F150 HydrophobicContact CZ-CZ 3.42Å; F135-F150 VanDerWaalsContact CZ-CZ 3.42Å; F145-F150 HydrophobicContact CD1-CE2 4.06Å; F145-F150 HydrophobicContact CD2-CE2 4.19Å; F145-F150 HydrophobicContact CD2-CZ 4.33Å; F145-F150 AromaticContact CE1-CE2 3.74Å; F145-F150 HydrophobicContact CE1-CE2 3.74Å; F145-F150 AromaticContact CE1-CZ 3.95Å; F145-F150 HydrophobicContact CE1-CZ 3.95Å; F145-F150 AromaticContact CE2-CE2 3.88Å; F145-F150 HydrophobicContact CE2-CE2 3.88Å; F145-F150 AromaticContact CE2-CZ 3.61Å; F145-F150 HydrophobicContact CE2-CZ 3.61Å; F145-F150 HydrophobicContact CG-CE2 4.29Å; F145-F150 AromaticContact CZ-CE2 3.66Å; F145-F150 HydrophobicContact CZ-CE2 3.66Å; F145-F150 AromaticContact CZ-CZ 3.4Å; F145-F150 HydrophobicContact CZ-CZ 3.4Å; F145-F150 VanDerWaalsContact CZ-CZ 3.4Å; D146-F150 WeakPolarHBondContact O-CD2 3.44Å; D146-F150 PolarHBondContact O-N 3.49Å; E147-F150 CarbonylContact O-C 3.54Å; E147-F150 PolarHBondContact O-N 3.26Å; L148-F150 VanDerWaalsContact C-N 3.27Å; L148-F150 PolarHBondContact O-N 3.34Å; F150-N152 PolarHBondContact O-N 3.33Å; F150-N152 VanDerWaalsContact O-N 3.12Å; F150-L153 HydrophobicContact CB-CB 4.5Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 WeakPolarHBondContact O-CB 3.36Å; F150-L153 PolarHBondContact O-N 3.38Å; F150-I179 HydrophobicContact CD2-CG2 4.2Å; F150-P181 VanDerWaalsContact O-CD 3.25Å; F150-P181 WeakPolarHBondContact O-CD 3.19Å; F150-P181 WeakPolarHBondContact O-CG 3.43Å |
| 151 | S | 93.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.8 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | E147 L148 P181 | E147-S151 PolarHBondContact O-N 3.08Å; L148-S151 WeakPolarHBondContact O-CB 3.34Å; L148-S151 PolarHBondContact O-N 2.97Å; L148-S151 PolarHBondContact O-OG 3.3Å; S151-P181 WeakPolarHBondContact O-CG 3.36Å |
| 152 | N | 93 | Very high | 93 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 4 | 179.2 | -68.4 | -37.4 | 0 | 0 | 0 | 114.1 | H72 F150 R154 | H72-N152 PolarHBondContact CE1-O 3.28Å; F150-N152 PolarHBondContact O-N 3.33Å; F150-N152 VanDerWaalsContact O-N 3.12Å; N152-R154 WeakPolarHBondContact O-CG 3.41Å; N152-R154 PolarHBondContact O-N 3.36Å |
| 153 | L | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -61.2 | 123.2 | -178.9 | -178.1 | 139 | 0 | 0 | 0 | 111.1 | F74 L77 F150 V180 P181 R184 | F74-L153 WeakPolarHBondContact O-CA 3.49Å; L77-L153 HydrophobicContact CB-CD1 3.46Å; L77-L153 VanDerWaalsContact CB-CD1 3.46Å; F150-L153 HydrophobicContact CB-CB 4.5Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 WeakPolarHBondContact O-CB 3.36Å; F150-L153 PolarHBondContact O-N 3.38Å; L153-V180 HydrophobicContact CD1-CG1 4.42Å; L153-V180 HydrophobicContact CD2-CB 4.36Å; L153-V180 HydrophobicContact CD2-CG1 4.46Å; L153-P181 HydrophobicContact CB-CG 4.36Å; L153-R184 HydrophobicContact CD2-CB 4.45Å | ||
| 154 | R | 96.5 | Very high | 91.4 | Very high | 112 Ų | 112 | 36.1 Ų | 36.1 | 42% | 0.423 | 19% | 0.187 | S | C | . | . | trans | -100.8 | -29.9 | -177.9 | -60 | -52.7 | -174.3 | -155.2 | -1.2 | 112.9 | F75 N152 Q185 | F75-R154 HydrophobicContact CD2-CB 4.35Å; F75-R154 HydrophobicContact CD2-CG 4.08Å; F75-R154 HydrophobicContact CE1-CB 4.37Å; F75-R154 HydrophobicContact CE2-CB 3.98Å; F75-R154 HydrophobicContact CE2-CG 3.79Å; F75-R154 HydrophobicContact CZ-CB 3.97Å; F75-R154 HydrophobicContact CZ-CG 4.27Å; F75-R154 PolarHBondContact O-N 3.07Å; N152-R154 WeakPolarHBondContact O-CG 3.41Å; N152-R154 PolarHBondContact O-N 3.36Å; R154-Q185 PolarHBondContact O-N 2.89Å | ||
| 155 | I | 97.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.4 | -173.5 | -53.7 | -173.8 | 0 | 0 | 0 | 111.9 | I63 K66 F75 A76 L77 V157 Q185 F187 | I63-I155 HydrophobicContact CB-CD1 4.49Å; I63-I155 HydrophobicContact CD1-CG2 4.1Å; I63-I155 HydrophobicContact CG1-CD1 3.79Å; I63-I155 HydrophobicContact CG1-CG2 4.02Å; K66-I155 HydrophobicContact CD-CD1 3.92Å; F75-I155 HydrophobicContact CE1-CD1 3.72Å; F75-I155 HydrophobicContact CE1-CG1 3.99Å; F75-I155 HydrophobicContact CZ-CD1 4.36Å; F75-I155 PolarHBondContact O-N 3.15Å; F75-I155 VanDerWaalsContact O-N 3.15Å; A76-I155 CarbonylContact C-O 3.55Å; A76-I155 VanDerWaalsContact CA-O 3.24Å; A76-I155 WeakPolarHBondContact CA-O 3.38Å; A76-I155 HydrophobicContact CB-CB 4.11Å; L77-I155 PolarHBondContact N-O 3.5Å; I155-V157 HydrophobicContact CG2-CG2 4.07Å; I155-Q185 CarbonylContact C-O 3.58Å; I155-Q185 VanDerWaalsContact CA-O 3.29Å; I155-Q185 WeakPolarHBondContact CA-O 3.48Å; I155-Q185 HydrophobicContact CG1-CB 4.31Å; I155-F187 HydrophobicContact CG2-CD2 4.04Å; I155-F187 HydrophobicContact CG2-CE2 3.8Å; I155-F187 HydrophobicContact CG2-CZ 4.37Å |
| 156 | L | 97.6 | Very high | 89 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.6 | 168 | 175.1 | 64.8 | 0 | 0 | 0 | 109.8 | L77 L79 I158 L177 V180 Q185 T186 F187 | L77-L156 HydrophobicContact CB-CD1 4.18Å; L77-L156 HydrophobicContact CD2-CD1 3.99Å; L77-L156 HydrophobicContact CG-CD1 4.04Å; L77-L156 CarbonylContact O-C 3.56Å; L77-L156 WeakPolarHBondContact O-CA 3.4Å; L79-L156 HydrophobicContact CD1-CD1 4.15Å; L79-L156 HydrophobicContact CG-CD1 4.29Å; L156-I158 HydrophobicContact CD2-CD1 4.37Å; L156-I158 HydrophobicContact CD2-CG1 4.47Å; L156-I158 HydrophobicContact CG-CG1 4.3Å; L156-L177 HydrophobicContact CD2-CD2 3.78Å; L156-V180 HydrophobicContact CD2-CG2 4.48Å; L156-Q185 PolarHBondContact N-O 3.34Å; L156-T186 HydrophobicContact CB-CG2 4.15Å; L156-T186 HydrophobicContact CD2-CG2 3.99Å; L156-T186 HydrophobicContact CG-CG2 4.11Å; L156-T186 CarbonylContact O-C 3.54Å; L156-T186 VanDerWaalsContact O-CA 3.24Å; L156-T186 WeakPolarHBondContact O-CA 3Å; L156-F187 PolarHBondContact O-N 3.36Å |
| 157 | V | 97.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.9 | 172.5 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | Y59 I63 L77 I78 L79 I155 D159 F187 F189 | Y59-V157 HydrophobicContact CD1-CG1 4.02Å; Y59-V157 HydrophobicContact CD2-CG1 4.15Å; Y59-V157 HydrophobicContact CD2-CG2 4.4Å; Y59-V157 HydrophobicContact CE1-CG1 4.18Å; Y59-V157 HydrophobicContact CE2-CG1 4.34Å; Y59-V157 HydrophobicContact CG-CG1 3.99Å; I63-V157 HydrophobicContact CD1-CG2 3.73Å; L77-V157 PolarHBondContact O-N 3.11Å; I78-V157 HydrophobicContact CB-CB 4.29Å; I78-V157 HydrophobicContact CG1-CB 4.07Å; I78-V157 HydrophobicContact CG1-CG2 4.17Å; I78-V157 HydrophobicContact CG2-CB 4.04Å; I78-V157 HydrophobicContact CG2-CG1 4.15Å; L79-V157 PolarHBondContact N-O 2.83Å; I155-V157 HydrophobicContact CG2-CG2 4.07Å; V157-D159 HydrophobicContact CG1-CB 4.39Å; V157-F187 CarbonylContact C-O 3.54Å; V157-F187 WeakPolarHBondContact CA-O 3.14Å; V157-F187 HydrophobicContact CG1-CB 4.43Å; V157-F187 HydrophobicContact CG2-CB 4.32Å; V157-F187 HydrophobicContact CG2-CD2 3.82Å; V157-F187 HydrophobicContact CG2-CG 4.48Å; V157-F189 HydrophobicContact CG1-CD2 4.33Å |
| 158 | I | 95.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 95.2 | 174.4 | -59.4 | -178.7 | 0 | 0 | 0 | 106.3 | L156 A161 M164 F187 L188 F189 L200 | L156-I158 HydrophobicContact CD2-CD1 4.37Å; L156-I158 HydrophobicContact CD2-CG1 4.47Å; L156-I158 HydrophobicContact CG-CG1 4.3Å; I158-A161 HydrophobicContact CG2-CB 3.8Å; I158-M164 HydrophobicContact CB-CE 4.28Å; I158-M164 HydrophobicContact CG2-CE 3.21Å; I158-F187 PolarHBondContact N-O 3.03Å; I158-L188 WeakPolarHBondContact O-CA 3.44Å; I158-F189 PolarHBondContact O-N 2.97Å; I158-L200 HydrophobicContact CD1-CD1 4.37Å; I158-L200 HydrophobicContact CG2-CD2 3.97Å |
| 159 | D | 93.8 | Very high | 85.1 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 142.9 | -176.7 | -167.9 | 12.9 | 0 | 0 | 0 | 111.9 | Y59 L79 V80 P81 V157 A161 M164 F189 | Y59-D159 HydrophobicContact CE1-CB 4.18Å; Y59-D159 WeakPolarHBondContact CE1-OD2 3.41Å; Y59-D159 PolarHBondContact OH-OD2 3.43Å; L79-D159 PolarHBondContact O-N 3.33Å; V80-D159 HydrophobicContact CG1-CB 4.13Å; P81-D159 WeakPolarHBondContact CD-O 3.46Å; V157-D159 HydrophobicContact CG1-CB 4.39Å; D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 3.08Å; D159-M164 WeakPolarHBondContact O-CE 3.47Å; D159-F189 HydrophobicContact CB-CB 4.49Å; D159-F189 WeakPolarHBondContact OD1-CB 3.5Å |
| 160 | E | 88.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 47.7 | -167.2 | -62.2 | -166 | 152.6 | 0 | 0 | 112.9 | P81 L85 D162 R163 F189 | P81-E160 HydrophobicContact CG-CB 3.71Å; P81-E160 WeakPolarHBondContact CG-OE2 3.41Å; L85-E160 HydrophobicContact CD2-CB 4.27Å; L85-E160 HydrophobicContact CD2-CG 3.71Å; L85-E160 WeakPolarHBondContact CD2-OE2 3.37Å; E160-D162 PolarHBondContact O-N 3.2Å; E160-D162 VanDerWaalsContact O-N 3.1Å; E160-R163 HydrophobicContact CB-CB 4.46Å; E160-R163 HydrophobicContact CB-CG 4.46Å; E160-R163 WeakPolarHBondContact O-CB 3.5Å; E160-R163 PolarHBondContact O-N 3.29Å; E160-R163 IonicContact OE1-CZ 2.76Å; E160-R163 IonicContact OE1-NH1 3.99Å; E160-R163 PolarHBondContact OE1-NH1 3.48Å; E160-R163 IonicContact OE1-NH2 3.11Å; E160-R163 WeakPolarHBondContact OE2-CD 3.36Å; E160-R163 IonicContact OE2-CZ 2.83Å; E160-R163 IonicContact OE2-NE 2.64Å; E160-R163 IonicContact OE2-NH1 2.86Å; E160-R163 PolarHBondContact OE2-NH1 2.87Å; E160-F189 PolarHBondContact N-O 3.12Å |
| 161 | A | 88.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -52.7 | -35.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I158 D159 R163 M164 L165 L188 F189 V197 L200 | I158-A161 HydrophobicContact CG2-CB 3.8Å; D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 3.08Å; A161-R163 PolarHBondContact O-N 3.46Å; A161-M164 PolarHBondContact O-N 3.15Å; A161-L165 VanDerWaalsContact O-CD1 3.3Å; A161-L165 WeakPolarHBondContact O-CD1 3.39Å; A161-L165 WeakPolarHBondContact O-CG 3.29Å; A161-L188 HydrophobicContact CB-CD1 4.23Å; A161-L188 HydrophobicContact CB-CD2 3.86Å; A161-L188 HydrophobicContact CB-CG 3.82Å; A161-F189 PolarHBondContact N-O 2.82Å; A161-V197 HydrophobicContact CB-CG1 4.32Å; A161-L200 HydrophobicContact CB-CD2 4.31Å |
| 162 | D | 81.4 | Confident | 83.4 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -69.5 | -9.5 | 178.8 | 69.5 | -48.6 | 0 | 0 | 0 | 114.9 | E160 S190 T192 V197 K362 | E160-D162 PolarHBondContact O-N 3.2Å; E160-D162 VanDerWaalsContact O-N 3.1Å; D162-S190 VanDerWaalsContact CB-OG 3.23Å; D162-S190 WeakPolarHBondContact CB-OG 3.44Å; D162-S190 PolarHBondContact OD1-OG 2.88Å; D162-T192 WeakPolarHBondContact CB-OG1 3.19Å; D162-T192 PolarHBondContact OD2-OG1 2.6Å; D162-V197 VanDerWaalsContact CA-CG2 3.47Å; D162-V197 HydrophobicContact CB-CG2 3.66Å; D162-K362 VanDerWaalsContact CB-NZ 3.32Å; D162-K362 PolarHBondContact O-NZ 3.44Å; D162-K362 WeakPolarHBondContact OD2-CE 3.29Å; D162-K362 IonicContact OD2-NZ 3.66Å; D162-K362 PolarHBondContact OD2-NZ 3.46Å |
| 163 | R | 78.5 | Confident | 83.1 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -99.2 | -16.3 | 171.3 | -63.7 | -175.4 | 179.3 | 167.6 | 0.8 | 113 | P81 E160 A161 L165 | P81-R163 HydrophobicContact CB-CB 3.86Å; P81-R163 HydrophobicContact CG-CB 3.94Å; E160-R163 HydrophobicContact CB-CB 4.46Å; E160-R163 HydrophobicContact CB-CG 4.46Å; E160-R163 WeakPolarHBondContact O-CB 3.5Å; E160-R163 PolarHBondContact O-N 3.29Å; E160-R163 IonicContact OE1-CZ 2.76Å; E160-R163 IonicContact OE1-NH1 3.99Å; E160-R163 PolarHBondContact OE1-NH1 3.48Å; E160-R163 IonicContact OE1-NH2 3.11Å; E160-R163 WeakPolarHBondContact OE2-CD 3.36Å; E160-R163 IonicContact OE2-CZ 2.83Å; E160-R163 IonicContact OE2-NE 2.64Å; E160-R163 IonicContact OE2-NH1 2.86Å; E160-R163 PolarHBondContact OE2-NH1 2.87Å; A161-R163 PolarHBondContact O-N 3.46Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.27Å |
| 164 | M | 75.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -90.3 | 21.5 | -179.9 | -68.2 | -169.9 | -71.8 | 0 | 0 | 113.3 | L79 P81 P132 I158 D159 A161 F169 | L79-M164 HydrophobicContact CB-SD 4.3Å; P81-M164 HydrophobicContact CB-CG 3.61Å; P81-M164 HydrophobicContact CG-CG 4.26Å; P132-M164 HydrophobicContact CG-SD 3.82Å; I158-M164 HydrophobicContact CB-CE 4.28Å; I158-M164 HydrophobicContact CG2-CE 3.21Å; D159-M164 WeakPolarHBondContact O-CE 3.47Å; A161-M164 PolarHBondContact O-N 3.15Å; M164-F169 WeakPolarHBondContact O-CB 3.36Å |
| 165 | L | 66.5 | Low | 82.4 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -127.5 | 35.3 | -169.5 | -67.6 | 167.1 | 0 | 0 | 0 | 113.9 | A161 R163 K196 V197 L200 | A161-L165 VanDerWaalsContact O-CD1 3.3Å; A161-L165 WeakPolarHBondContact O-CD1 3.39Å; A161-L165 WeakPolarHBondContact O-CG 3.29Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.27Å; L165-K196 HydrophobicContact CB-CB 4Å; L165-K196 HydrophobicContact CB-CD 4.2Å; L165-K196 VanDerWaalsContact CD1-C 3.46Å; L165-K196 HydrophobicContact CD1-CB 3.88Å; L165-K196 HydrophobicContact CG-CB 4.4Å; L165-K196 VanDerWaalsContact O-CD 3.28Å; L165-K196 WeakPolarHBondContact O-CD 3.25Å; L165-K196 PolarHBondContact O-NZ 3.02Å; L165-V197 VanDerWaalsContact CD1-CA 3.45Å; L165-V197 HydrophobicContact CD1-CB 4.05Å; L165-V197 HydrophobicContact CD1-CG2 3.47Å; L165-V197 VanDerWaalsContact CD1-CG2 3.47Å; L165-V197 VanDerWaalsContact CD1-N 3.34Å; L165-L200 HydrophobicContact CD1-CB 4.35Å; L165-L200 HydrophobicContact CD1-CD2 4.25Å; L165-L200 HydrophobicContact CD2-CB 4.06Å; L165-L200 HydrophobicContact CD2-CD2 4Å; L165-L200 HydrophobicContact CG-CD2 4.33Å | ||
| 166 | G | 65.9 | Low | 82.1 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71 | 171.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D168 F169 | G166-D168 PolarHBondContact O-N 3.31Å; G166-D168 VanDerWaalsContact O-N 3.08Å; G166-F169 PolarHBondContact O-N 3.04Å; G166-F169 VanDerWaalsContact O-N 3.14Å |
| 167 | V | 56.2 | Low | 81.9 | Confident | 134 Ų | 134 | 39.5 Ų | 39.5 | 81% | 0.812 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.4 | -173.9 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 168 | D | 66.4 | Low | 81.6 | Confident | 127 Ų | 127 | 44.4 Ų | 44.4 | 68% | 0.679 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -21.7 | -176.2 | -55.7 | -39.1 | 0 | 0 | 0 | 114.6 | G166 S171 V172 | G166-D168 PolarHBondContact O-N 3.31Å; G166-D168 VanDerWaalsContact O-N 3.08Å; D168-S171 PolarHBondContact O-OG 3.33Å; D168-V172 VanDerWaalsContact O-CG2 3.3Å; D168-V172 WeakPolarHBondContact O-CG2 3.37Å |
| 169 | F | 70.3 | Confident | 81.4 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.9 | -29 | -169.1 | -77.2 | -81.9 | 0 | 0 | 0 | 113.8 | P132 M164 G166 S171 V172 I173 | P132-F169 HydrophobicContact CB-CD1 4.18Å; P132-F169 HydrophobicContact CB-CE1 4.48Å; P132-F169 HydrophobicContact CG-CD1 4.2Å; P132-F169 HydrophobicContact CG-CE1 4.36Å; M164-F169 WeakPolarHBondContact O-CB 3.36Å; G166-F169 PolarHBondContact O-N 3.04Å; G166-F169 VanDerWaalsContact O-N 3.14Å; F169-S171 PolarHBondContact O-N 3.24Å; F169-V172 WeakPolarHBondContact O-CB 3.33Å; F169-V172 PolarHBondContact O-N 2.64Å; F169-V172 VanDerWaalsContact O-N 3.12Å; F169-I173 WeakPolarHBondContact O-CG1 3.23Å; F169-I173 PolarHBondContact O-N 2.84Å |
| 170 | E | 73.7 | Confident | 81.4 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | -176.9 | -168.5 | 164.8 | -171 | 0 | 0 | 110.7 | V172 I173 E174 | E170-V172 PolarHBondContact O-N 3.43Å; E170-I173 PolarHBondContact O-N 3.37Å; E170-E174 WeakPolarHBondContact O-CG 3.34Å; E170-E174 PolarHBondContact O-N 2.79Å |
| 171 | S | 82.6 | Confident | 81.7 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -28.2 | 176.3 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | D168 F169 K175 | D168-S171 PolarHBondContact O-OG 3.33Å; F169-S171 PolarHBondContact O-N 3.24Å; S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.09Å |
| 172 | V | 88.7 | Confident | 81.8 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.7 | -44.2 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | P132 V136 D168 F169 E170 K175 I176 | P132-V172 HydrophobicContact CB-CG1 3.51Å; P132-V172 WeakPolarHBondContact O-CG1 3.41Å; V136-V172 HydrophobicContact CB-CG1 4.27Å; V136-V172 HydrophobicContact CG2-CB 4.47Å; V136-V172 HydrophobicContact CG2-CG1 3.57Å; D168-V172 VanDerWaalsContact O-CG2 3.3Å; D168-V172 WeakPolarHBondContact O-CG2 3.37Å; F169-V172 WeakPolarHBondContact O-CB 3.33Å; F169-V172 PolarHBondContact O-N 2.64Å; F169-V172 VanDerWaalsContact O-N 3.12Å; E170-V172 PolarHBondContact O-N 3.43Å; V172-K175 PolarHBondContact O-N 2.9Å; V172-I176 HydrophobicContact CG1-CD1 4.4Å; V172-I176 WeakPolarHBondContact O-CG1 3.46Å; V172-I176 PolarHBondContact O-N 3.3Å |
| 173 | I | 87.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 177.8 | -63.3 | -69.1 | 0 | 0 | 0 | 110.8 | L79 P132 F169 E170 K175 I176 L177 L200 | L79-I173 HydrophobicContact CD1-CD1 3.84Å; P132-I173 HydrophobicContact CB-CD1 3.81Å; P132-I173 HydrophobicContact CG-CD1 3.62Å; F169-I173 WeakPolarHBondContact O-CG1 3.23Å; F169-I173 PolarHBondContact O-N 2.84Å; E170-I173 PolarHBondContact O-N 3.37Å; I173-K175 VanDerWaalsContact C-N 3.31Å; I173-K175 PolarHBondContact O-N 2.98Å; I173-I176 HydrophobicContact CD1-CD1 4.42Å; I173-I176 WeakPolarHBondContact O-CB 3.44Å; I173-I176 PolarHBondContact O-N 3.01Å; I173-L177 HydrophobicContact CG2-CD1 4.09Å; I173-L177 HydrophobicContact CG2-CG 4.18Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.14Å; I173-L200 HydrophobicContact CB-CD1 4.46Å; I173-L200 HydrophobicContact CG2-CD1 3.49Å; I173-L200 VanDerWaalsContact CG2-CD1 3.49Å |
| 174 | E | 86.5 | Confident | 83.1 | Confident | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.8 | -45.9 | 174.7 | -74.1 | 174 | 171.3 | 0 | 0 | 111.9 | E170 I176 L177 C178 | E170-E174 WeakPolarHBondContact O-CG 3.34Å; E170-E174 PolarHBondContact O-N 2.79Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 3.03Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.16Å; E174-C178 PolarHBondContact O-N 3.1Å; E174-C178 VanDerWaalsContact O-N 3.11Å; E174-C178 PolarHBondContact O-SG 2.93Å; E174-C178 VanDerWaalsContact O-SG 3.34Å |
| 175 | K | 90.8 | Very high | 84.1 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.3 | -73.3 | 171.3 | -174.1 | 174 | 0 | 112.8 | V136 S171 V172 I173 I179 | V136-K175 HydrophobicContact CG1-CD 4.42Å; V136-K175 HydrophobicContact CG2-CB 4.35Å; S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.09Å; V172-K175 PolarHBondContact O-N 2.9Å; I173-K175 VanDerWaalsContact C-N 3.31Å; I173-K175 PolarHBondContact O-N 2.98Å; K175-I179 WeakPolarHBondContact O-CG1 3.46Å |
| 176 | I | 93.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.6 | -62.6 | 169.5 | 0 | 0 | 0 | 110.1 | L77 L79 P132 F135 V136 V172 I173 E174 C178 I179 V180 | L77-I176 HydrophobicContact CD2-CG2 3.94Å; L79-I176 HydrophobicContact CD1-CD1 4.05Å; L79-I176 HydrophobicContact CD1-CG2 4.09Å; L79-I176 HydrophobicContact CD2-CD1 4.04Å; P132-I176 HydrophobicContact CB-CD1 3.97Å; F135-I176 HydrophobicContact CB-CD1 4.19Å; F135-I176 HydrophobicContact CD1-CD1 4.02Å; F135-I176 HydrophobicContact CD1-CG1 3.68Å; F135-I176 HydrophobicContact CD1-CG2 4.2Å; F135-I176 HydrophobicContact CE1-CG1 4.17Å; F135-I176 HydrophobicContact CE1-CG2 3.97Å; F135-I176 HydrophobicContact CG-CD1 4.32Å; F135-I176 HydrophobicContact CG-CG1 4.46Å; V136-I176 HydrophobicContact CG2-CD1 4.2Å; V136-I176 HydrophobicContact CG2-CG1 3.81Å; V172-I176 HydrophobicContact CG1-CD1 4.4Å; V172-I176 WeakPolarHBondContact O-CG1 3.46Å; V172-I176 PolarHBondContact O-N 3.3Å; I173-I176 HydrophobicContact CD1-CD1 4.42Å; I173-I176 WeakPolarHBondContact O-CB 3.44Å; I173-I176 PolarHBondContact O-N 3.01Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 3.03Å; I176-C178 PolarHBondContact O-N 3.07Å; I176-I179 PolarHBondContact O-N 3.23Å; I176-V180 HydrophobicContact CG2-CG1 4.41Å; I176-V180 PolarHBondContact O-N 3.17Å |
| 177 | L | 91.9 | Very high | 87.1 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -29.5 | 179.2 | -67.2 | 176.2 | 0 | 0 | 0 | 112.8 | L156 I173 E174 I179 A203 | L156-L177 HydrophobicContact CD2-CD2 3.78Å; I173-L177 HydrophobicContact CG2-CD1 4.09Å; I173-L177 HydrophobicContact CG2-CG 4.18Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.14Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.16Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-A203 HydrophobicContact CD1-CB 4.45Å |
| 178 | C | 91.3 | Very high | 89 | Confident | 103 Ų | 103 | 52 Ų | 52 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.1 | -25.8 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | E174 I176 | E174-C178 PolarHBondContact O-N 3.1Å; E174-C178 VanDerWaalsContact O-N 3.11Å; E174-C178 PolarHBondContact O-SG 2.93Å; E174-C178 VanDerWaalsContact O-SG 3.34Å; I176-C178 PolarHBondContact O-N 3.07Å |
| 179 | I | 92.5 | Very high | 90.3 | Very high | 41 Ų | 41 | 46 Ų | 46 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -93.6 | -27.5 | -175.7 | -60.8 | -63.3 | 0 | 0 | 0 | 112 | L139 E147 F150 K175 I176 L177 | L139-I179 HydrophobicContact CD1-CG1 3.92Å; L139-I179 HydrophobicContact CD2-CB 4.3Å; L139-I179 HydrophobicContact CD2-CG1 3.99Å; L139-I179 HydrophobicContact CD2-CG2 3.79Å; E147-I179 HydrophobicContact CB-CG2 4.3Å; F150-I179 HydrophobicContact CD2-CG2 4.2Å; K175-I179 WeakPolarHBondContact O-CG1 3.46Å; I176-I179 PolarHBondContact O-N 3.23Å; L177-I179 VanDerWaalsContact C-N 3.34Å |
| 180 | V | 93.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.7 | 144.1 | 179.5 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | L77 L153 L156 I176 A182 | L77-V180 HydrophobicContact CD2-CG1 4.01Å; L153-V180 HydrophobicContact CD1-CG1 4.42Å; L153-V180 HydrophobicContact CD2-CB 4.36Å; L153-V180 HydrophobicContact CD2-CG1 4.46Å; L156-V180 HydrophobicContact CD2-CG2 4.48Å; I176-V180 HydrophobicContact CG2-CG1 4.41Å; I176-V180 PolarHBondContact O-N 3.17Å; V180-A182 PolarHBondContact O-N 3.44Å |
| 181 | P | 94 | Very high | 91.6 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | trans | -57.2 | 137.1 | -177.9 | -24.7 | 33.3 | 0 | 0 | 0 | 112.8 | F150 S151 L153 Q183 R184 | F150-P181 VanDerWaalsContact O-CD 3.25Å; F150-P181 WeakPolarHBondContact O-CD 3.19Å; F150-P181 WeakPolarHBondContact O-CG 3.43Å; S151-P181 WeakPolarHBondContact O-CG 3.36Å; L153-P181 HydrophobicContact CB-CG 4.36Å; P181-Q183 VanDerWaalsContact C-N 3.33Å; P181-Q183 PolarHBondContact O-N 3.27Å; P181-R184 VanDerWaalsContact O-CD 3.24Å; P181-R184 WeakPolarHBondContact O-CD 3.35Å; P181-R184 WeakPolarHBondContact O-CG 3.13Å; P181-R184 PolarHBondContact O-NH1 3.16Å | ||
| 182 | A | 90.8 | Very high | 91.3 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 74% | 0.744 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -62.3 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V180 R184 | V180-A182 PolarHBondContact O-N 3.44Å; A182-R184 PolarHBondContact O-N 3.11Å |
| 183 | Q | 92 | Very high | 90.9 | Very high | 180 Ų | 180 | 40.3 Ų | 40.3 | 84% | 0.841 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -83.9 | 91.7 | 175.3 | -171.1 | 177.6 | 5.5 | 0 | 0 | 110.4 | P181 | P181-Q183 VanDerWaalsContact C-N 3.33Å; P181-Q183 PolarHBondContact O-N 3.27Å |
| 184 | R | 94.9 | Very high | 90.5 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -150.8 | 160 | 178.4 | 63.8 | -179.9 | -174.4 | -85.7 | -6.8 | 110.3 | L153 P181 A182 T186 S204 | L153-R184 HydrophobicContact CD2-CB 4.45Å; P181-R184 VanDerWaalsContact O-CD 3.24Å; P181-R184 WeakPolarHBondContact O-CD 3.35Å; P181-R184 WeakPolarHBondContact O-CG 3.13Å; P181-R184 PolarHBondContact O-NH1 3.16Å; A182-R184 PolarHBondContact O-N 3.11Å; R184-T186 PolarHBondContact NE-OG1 3.34Å; R184-S204 PolarHBondContact NH2-O 3.23Å |
| 185 | Q | 96.8 | Very high | 90.2 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.2 | 165.4 | -165 | 179.8 | 17.8 | 0 | 0 | 109.2 | A39 G42 R43 N44 R154 I155 L156 F187 | A39-Q185 PolarHBondContact O-NE2 3.2Å; G42-Q185 VanDerWaalsContact CA-NE2 3.28Å; R43-Q185 PolarHBondContact O-NE2 2.86Å; N44-Q185 WeakPolarHBondContact OD1-CA 3.43Å; R154-Q185 PolarHBondContact O-N 2.89Å; I155-Q185 CarbonylContact C-O 3.58Å; I155-Q185 VanDerWaalsContact CA-O 3.29Å; I155-Q185 WeakPolarHBondContact CA-O 3.48Å; I155-Q185 HydrophobicContact CG1-CB 4.31Å; L156-Q185 PolarHBondContact N-O 3.34Å; Q185-F187 HydrophobicContact CG-CD1 4.28Å; Q185-F187 HydrophobicContact CG-CE1 3.49Å; Q185-F187 VanDerWaalsContact CG-CE1 3.49Å; Q185-F187 HydrophobicContact CG-CZ 3.92Å |
| 186 | T | 97.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | -179.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | N44 L45 L156 R184 I205 | N44-T186 WeakPolarHBondContact CA-O 3.3Å; N44-T186 PolarHBondContact OD1-N 3.27Å; L45-T186 PolarHBondContact N-O 3.18Å; L156-T186 HydrophobicContact CB-CG2 4.15Å; L156-T186 HydrophobicContact CD2-CG2 3.99Å; L156-T186 HydrophobicContact CG-CG2 4.11Å; L156-T186 CarbonylContact O-C 3.54Å; L156-T186 VanDerWaalsContact O-CA 3.24Å; L156-T186 WeakPolarHBondContact O-CA 3Å; R184-T186 PolarHBondContact NE-OG1 3.34Å; T186-I205 HydrophobicContact CG2-CD1 4.14Å; T186-I205 HydrophobicContact CG2-CG1 3.45Å; T186-I205 VanDerWaalsContact CG2-CG1 3.45Å |
| 187 | F | 97.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.4 | 175.8 | -50.8 | -33.4 | 0 | 0 | 0 | 110.7 | A39 L45 I63 I155 L156 V157 I158 Q185 F189 | A39-F187 HydrophobicContact CB-CE1 4.15Å; A39-F187 HydrophobicContact CB-CE2 4.44Å; A39-F187 HydrophobicContact CB-CZ 3.75Å; L45-F187 HydrophobicContact CB-CB 4.45Å; L45-F187 HydrophobicContact CB-CD1 3.74Å; L45-F187 HydrophobicContact CB-CE1 4.41Å; L45-F187 HydrophobicContact CB-CG 4.42Å; L45-F187 HydrophobicContact CD1-CD1 3.77Å; L45-F187 HydrophobicContact CD1-CE1 3.75Å; L45-F187 HydrophobicContact CD1-CG 4.44Å; L45-F187 HydrophobicContact CD1-CZ 4.45Å; L45-F187 HydrophobicContact CG-CD1 3.93Å; L45-F187 HydrophobicContact CG-CE1 4.1Å; L45-F187 WeakPolarHBondContact O-CA 3.43Å; I63-F187 HydrophobicContact CG1-CE2 4.31Å; I155-F187 HydrophobicContact CG2-CD2 4.04Å; I155-F187 HydrophobicContact CG2-CE2 3.8Å; I155-F187 HydrophobicContact CG2-CZ 4.37Å; L156-F187 PolarHBondContact O-N 3.36Å; V157-F187 CarbonylContact C-O 3.54Å; V157-F187 WeakPolarHBondContact CA-O 3.14Å; V157-F187 HydrophobicContact CG1-CB 4.43Å; V157-F187 HydrophobicContact CG2-CB 4.32Å; V157-F187 HydrophobicContact CG2-CD2 3.82Å; V157-F187 HydrophobicContact CG2-CG 4.48Å; I158-F187 PolarHBondContact N-O 3.03Å; Q185-F187 HydrophobicContact CG-CD1 4.28Å; Q185-F187 HydrophobicContact CG-CE1 3.49Å; Q185-F187 VanDerWaalsContact CG-CE1 3.49Å; Q185-F187 HydrophobicContact CG-CZ 3.92Å; F187-F189 HydrophobicContact CB-CD2 4.11Å; F187-F189 HydrophobicContact CB-CE2 3.71Å; F187-F189 HydrophobicContact CG-CE2 4.42Å |
| 188 | L | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.5 | 172.1 | -176.5 | 159.9 | 0 | 0 | 0 | 109.5 | L45 V46 A47 I158 A161 V197 L200 Q201 I205 | L45-L188 PolarHBondContact O-N 3.44Å; V46-L188 CarbonylContact C-O 3.55Å; V46-L188 WeakPolarHBondContact CA-O 3.32Å; V46-L188 HydrophobicContact CG1-CD2 4.43Å; V46-L188 HydrophobicContact CG2-CB 4.43Å; A47-L188 PolarHBondContact N-O 2.92Å; I158-L188 WeakPolarHBondContact O-CA 3.44Å; A161-L188 HydrophobicContact CB-CD1 4.23Å; A161-L188 HydrophobicContact CB-CD2 3.86Å; A161-L188 HydrophobicContact CB-CG 3.82Å; L188-V197 HydrophobicContact CD1-CG1 4.41Å; L188-V197 HydrophobicContact CD2-CG1 4Å; L188-L200 HydrophobicContact CD1-CG 4.49Å; L188-Q201 HydrophobicContact CD1-CB 4.01Å; L188-Q201 HydrophobicContact CD1-CG 4.34Å; L188-I205 HydrophobicContact CB-CD1 3.31Å; L188-I205 HydrophobicContact CD1-CD1 4.01Å; L188-I205 HydrophobicContact CG-CD1 4.32Å |
| 189 | F | 94.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.7 | 176.3 | -76.7 | -94.2 | 0 | 0 | 0 | 109.8 | I31 A47 K55 A58 Y59 V157 I158 D159 E160 A161 F187 | I31-F189 HydrophobicContact CG1-CE1 4.4Å; A47-F189 HydrophobicContact CB-CD1 3.35Å; A47-F189 HydrophobicContact CB-CE1 3.28Å; A47-F189 HydrophobicContact CB-CE2 4.46Å; A47-F189 HydrophobicContact CB-CG 4.02Å; A47-F189 HydrophobicContact CB-CZ 3.88Å; A47-F189 WeakPolarHBondContact O-CA 3.24Å; K55-F189 HydrophobicContact CB-CD1 3.83Å; K55-F189 HydrophobicContact CB-CE1 4.27Å; K55-F189 HydrophobicContact CD-CB 4.21Å; K55-F189 HydrophobicContact CD-CD1 3.88Å; K55-F189 HydrophobicContact CG-CD1 3.76Å; K55-F189 HydrophobicContact CG-CE1 4.33Å; A58-F189 HydrophobicContact CB-CE1 4.06Å; A58-F189 HydrophobicContact CB-CZ 4.2Å; Y59-F189 AromaticContact CD1-CD2 3.68Å; Y59-F189 HydrophobicContact CD1-CD2 3.68Å; Y59-F189 HydrophobicContact CD1-CE1 4.4Å; Y59-F189 AromaticContact CD1-CE2 3.52Å; Y59-F189 HydrophobicContact CD1-CE2 3.52Å; Y59-F189 HydrophobicContact CD1-CG 4.2Å; Y59-F189 AromaticContact CD1-CZ 3.91Å; Y59-F189 HydrophobicContact CD1-CZ 3.91Å; Y59-F189 HydrophobicContact CE1-CD2 4.31Å; Y59-F189 HydrophobicContact CG-CE2 4.08Å; V157-F189 HydrophobicContact CG1-CD2 4.33Å; I158-F189 PolarHBondContact O-N 2.97Å; D159-F189 HydrophobicContact CB-CB 4.49Å; D159-F189 WeakPolarHBondContact OD1-CB 3.5Å; E160-F189 PolarHBondContact N-O 3.12Å; A161-F189 PolarHBondContact N-O 2.82Å; F187-F189 HydrophobicContact CB-CD2 4.11Å; F187-F189 HydrophobicContact CB-CE2 3.71Å; F187-F189 HydrophobicContact CG-CE2 4.42Å |
| 190 | S | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 152.5 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | A47 L48 A49 D162 T192 | A47-S190 PolarHBondContact O-N 2.7Å; L48-S190 WeakPolarHBondContact CA-O 3.33Å; A49-S190 PolarHBondContact N-O 3.13Å; D162-S190 VanDerWaalsContact CB-OG 3.23Å; D162-S190 WeakPolarHBondContact CB-OG 3.44Å; D162-S190 PolarHBondContact OD1-OG 2.88Å; S190-T192 PolarHBondContact OG-N 2.89Å; S190-T192 VanDerWaalsContact OG-N 3.14Å; S190-T192 PolarHBondContact OG-O 3.2Å |
| 191 | A | 81.6 | Confident | 88 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -79.7 | -28.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A49 R214 | A49-A191 WeakPolarHBondContact O-CA 3.38Å; A191-R214 VanDerWaalsContact O-CZ 3.28Å; A191-R214 PolarHBondContact O-NH1 3.29Å |
| 192 | T | 76.6 | Confident | 87.7 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | trans | -140.1 | 147.7 | -173.3 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | D162 S190 K362 | D162-T192 WeakPolarHBondContact CB-OG1 3.19Å; D162-T192 PolarHBondContact OD2-OG1 2.6Å; S190-T192 PolarHBondContact OG-N 2.89Å; S190-T192 VanDerWaalsContact OG-N 3.14Å; S190-T192 PolarHBondContact OG-O 3.2Å; T192-K362 PolarHBondContact OG1-NZ 2.81Å | ||
| 193 | M | 80.4 | Confident | 87.4 | Confident | 69 Ų | 69 | 48.4 Ų | 48.4 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | trans | -103.4 | 93.1 | 173.3 | -168.9 | 61.6 | 84.4 | 0 | 0 | 109.3 | V46 L48 V197 | V46-M193 HydrophobicContact CG1-CE 3.5Å; L48-M193 HydrophobicContact CD1-CB 4.03Å; L48-M193 HydrophobicContact CD1-CE 4.35Å; L48-M193 HydrophobicContact CD2-CB 4.36Å; L48-M193 HydrophobicContact CD2-CE 4.12Å; M193-V197 HydrophobicContact SD-CB 4.04Å; M193-V197 HydrophobicContact SD-CG1 3.6Å; M193-V197 VanDerWaalsContact SD-CG1 3.6Å | ||
| 194 | T | 78.7 | Confident | 87.1 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 31% | 0.307 | 20% | 0.202 | S | C | . | . | trans | -93.8 | 164.9 | 173.6 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | K196 V197 G198 | T194-K196 PolarHBondContact O-N 3.44Å; T194-V197 PolarHBondContact O-N 2.64Å; T194-V197 WeakPolarHBondContact OG1-CG2 3.44Å; T194-V197 PolarHBondContact OG1-N 2.82Å; T194-G198 PolarHBondContact O-N 3.4Å | ||
| 195 | D | 81.1 | Confident | 86.8 | Confident | 146 Ų | 146 | 38.8 Ų | 38.8 | 78% | 0.781 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.2 | -36.3 | 177.8 | -63.2 | -28.9 | 0 | 0 | 0 | 112.5 | G198 K199 | D195-G198 CarbonylContact O-C 3.59Å; D195-G198 PolarHBondContact O-N 3.27Å; D195-K199 PolarHBondContact O-N 3.04Å |
| 196 | K | 80.6 | Confident | 86.4 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.9 | -61.6 | -168.4 | 179 | -171.5 | 0 | 111.5 | L165 T194 G198 K199 L200 | L165-K196 HydrophobicContact CB-CB 4Å; L165-K196 HydrophobicContact CB-CD 4.2Å; L165-K196 VanDerWaalsContact CD1-C 3.46Å; L165-K196 HydrophobicContact CD1-CB 3.88Å; L165-K196 HydrophobicContact CG-CB 4.4Å; L165-K196 VanDerWaalsContact O-CD 3.28Å; L165-K196 WeakPolarHBondContact O-CD 3.25Å; L165-K196 PolarHBondContact O-NZ 3.02Å; T194-K196 PolarHBondContact O-N 3.44Å; K196-G198 VanDerWaalsContact C-N 3.25Å; K196-G198 PolarHBondContact O-N 3.01Å; K196-K199 WeakPolarHBondContact O-CB 3.45Å; K196-K199 PolarHBondContact O-N 3.02Å; K196-L200 PolarHBondContact O-N 3.22Å |
| 197 | V | 83.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | A161 D162 L165 L188 M193 T194 K199 L200 Q201 | A161-V197 HydrophobicContact CB-CG1 4.32Å; D162-V197 VanDerWaalsContact CA-CG2 3.47Å; D162-V197 HydrophobicContact CB-CG2 3.66Å; L165-V197 VanDerWaalsContact CD1-CA 3.45Å; L165-V197 HydrophobicContact CD1-CB 4.05Å; L165-V197 HydrophobicContact CD1-CG2 3.47Å; L165-V197 VanDerWaalsContact CD1-CG2 3.47Å; L165-V197 VanDerWaalsContact CD1-N 3.34Å; L188-V197 HydrophobicContact CD1-CG1 4.41Å; L188-V197 HydrophobicContact CD2-CG1 4Å; M193-V197 HydrophobicContact SD-CB 4.04Å; M193-V197 HydrophobicContact SD-CG1 3.6Å; M193-V197 VanDerWaalsContact SD-CG1 3.6Å; T194-V197 PolarHBondContact O-N 2.64Å; T194-V197 WeakPolarHBondContact OG1-CG2 3.44Å; T194-V197 PolarHBondContact OG1-N 2.82Å; V197-K199 PolarHBondContact O-N 3.19Å; V197-L200 PolarHBondContact O-N 3.42Å; V197-Q201 VanDerWaalsContact O-CB 3.3Å; V197-Q201 WeakPolarHBondContact O-CB 3.35Å; V197-Q201 PolarHBondContact O-N 3.02Å |
| 198 | G | 85.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T194 D195 K196 R202 | T194-G198 PolarHBondContact O-N 3.4Å; D195-G198 CarbonylContact O-C 3.59Å; D195-G198 PolarHBondContact O-N 3.27Å; K196-G198 VanDerWaalsContact C-N 3.25Å; K196-G198 PolarHBondContact O-N 3.01Å; G198-R202 WeakPolarHBondContact O-CG 3.44Å; G198-R202 PolarHBondContact O-N 2.98Å; G198-R202 VanDerWaalsContact O-N 3.08Å; G198-R202 PolarHBondContact O-NH1 2.84Å |
| 199 | K | 85 | Confident | 85.9 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 172.7 | -73.8 | -178.8 | 179 | -172.6 | 0 | 111.3 | D195 K196 V197 Q201 R202 A203 | D195-K199 PolarHBondContact O-N 3.04Å; K196-K199 WeakPolarHBondContact O-CB 3.45Å; K196-K199 PolarHBondContact O-N 3.02Å; V197-K199 PolarHBondContact O-N 3.19Å; K199-Q201 VanDerWaalsContact C-N 3.29Å; K199-Q201 PolarHBondContact O-N 3.44Å; K199-R202 VanDerWaalsContact CG-NH2 3.27Å; K199-R202 PolarHBondContact O-N 3.2Å; K199-R202 VanDerWaalsContact O-N 3.15Å; K199-A203 PolarHBondContact O-N 3.02Å |
| 200 | L | 85.7 | Confident | 85.9 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 177.4 | 175.5 | 59.1 | 0 | 0 | 0 | 111.7 | I158 A161 L165 I173 L188 K196 V197 R202 A203 S204 | I158-L200 HydrophobicContact CD1-CD1 4.37Å; I158-L200 HydrophobicContact CG2-CD2 3.97Å; A161-L200 HydrophobicContact CB-CD2 4.31Å; L165-L200 HydrophobicContact CD1-CB 4.35Å; L165-L200 HydrophobicContact CD1-CD2 4.25Å; L165-L200 HydrophobicContact CD2-CB 4.06Å; L165-L200 HydrophobicContact CD2-CD2 4Å; L165-L200 HydrophobicContact CG-CD2 4.33Å; I173-L200 HydrophobicContact CB-CD1 4.46Å; I173-L200 HydrophobicContact CG2-CD1 3.49Å; I173-L200 VanDerWaalsContact CG2-CD1 3.49Å; L188-L200 HydrophobicContact CD1-CG 4.49Å; K196-L200 PolarHBondContact O-N 3.22Å; V197-L200 PolarHBondContact O-N 3.42Å; L200-R202 PolarHBondContact O-N 2.88Å; L200-A203 PolarHBondContact O-N 3.5Å; L200-S204 WeakPolarHBondContact O-CB 3.41Å; L200-S204 PolarHBondContact O-N 3.11Å; L200-S204 PolarHBondContact O-OG 3.4Å |
| 201 | Q | 87.8 | Confident | 86.1 | Confident | 15 Ų | 15 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 176.5 | -169.9 | -155.6 | -53.8 | 0 | 0 | 111 | V46 L188 V197 K199 A203 S204 I205 | V46-Q201 HydrophobicContact CG2-CG 3.67Å; L188-Q201 HydrophobicContact CD1-CB 4.01Å; L188-Q201 HydrophobicContact CD1-CG 4.34Å; V197-Q201 VanDerWaalsContact O-CB 3.3Å; V197-Q201 WeakPolarHBondContact O-CB 3.35Å; V197-Q201 PolarHBondContact O-N 3.02Å; K199-Q201 VanDerWaalsContact C-N 3.29Å; K199-Q201 PolarHBondContact O-N 3.44Å; Q201-A203 VanDerWaalsContact C-N 3.3Å; Q201-A203 PolarHBondContact O-N 3.11Å; Q201-S204 PolarHBondContact O-N 3.03Å; Q201-I205 HydrophobicContact CG-CD1 4.16Å; Q201-I205 PolarHBondContact O-N 3.31Å |
| 202 | R | 86.8 | Confident | 86.5 | Confident | 171 Ų | 171 | 63.5 Ų | 63.5 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -33.3 | 178.8 | -73.3 | -174.2 | -62.2 | -89.9 | 5 | 113 | G198 K199 L200 | G198-R202 WeakPolarHBondContact O-CG 3.44Å; G198-R202 PolarHBondContact O-N 2.98Å; G198-R202 VanDerWaalsContact O-N 3.08Å; G198-R202 PolarHBondContact O-NH1 2.84Å; K199-R202 VanDerWaalsContact CG-NH2 3.27Å; K199-R202 PolarHBondContact O-N 3.2Å; K199-R202 VanDerWaalsContact O-N 3.15Å; L200-R202 PolarHBondContact O-N 2.88Å |
| 203 | A | 84.4 | Confident | 86.9 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -79.4 | -28.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L177 K199 L200 Q201 | L177-A203 HydrophobicContact CD1-CB 4.45Å; K199-A203 PolarHBondContact O-N 3.02Å; L200-A203 PolarHBondContact O-N 3.5Å; Q201-A203 VanDerWaalsContact C-N 3.3Å; Q201-A203 PolarHBondContact O-N 3.11Å |
| 204 | S | 85.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -107.4 | -20.6 | -170.1 | 58.9 | 0 | 0 | 0 | 0 | 115 | R184 L200 Q201 | R184-S204 PolarHBondContact NH2-O 3.23Å; L200-S204 WeakPolarHBondContact O-CB 3.41Å; L200-S204 PolarHBondContact O-N 3.11Å; L200-S204 PolarHBondContact O-OG 3.4Å; Q201-S204 PolarHBondContact O-N 3.03Å |
| 205 | I | 88.3 | Confident | 85.8 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.051 | 35% | 0.351 | C | S | . | . | trans | -133 | 133.7 | -169.5 | -57.4 | 165.8 | 0 | 0 | 0 | 112.3 | N44 V46 T186 L188 Q201 P208 | N44-I205 HydrophobicContact CB-CG2 3.59Å; V46-I205 HydrophobicContact CG2-CD1 3.91Å; T186-I205 HydrophobicContact CG2-CD1 4.14Å; T186-I205 HydrophobicContact CG2-CG1 3.45Å; T186-I205 VanDerWaalsContact CG2-CG1 3.45Å; L188-I205 HydrophobicContact CB-CD1 3.31Å; L188-I205 HydrophobicContact CD1-CD1 4.01Å; L188-I205 HydrophobicContact CG-CD1 4.32Å; Q201-I205 HydrophobicContact CG-CD1 4.16Å; Q201-I205 PolarHBondContact O-N 3.31Å; I205-P208 HydrophobicContact CG2-CB 3.67Å; I205-P208 HydrophobicContact CG2-CG 3.86Å | ||
| 206 | L | 87.8 | Confident | 84.7 | Confident | 135 Ų | 135 | 66.3 Ų | 66.3 | 71% | 0.707 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -105 | 137.8 | 172.2 | -63.6 | 166.5 | 0 | 0 | 0 | 110.1 | N44 | N44-L206 WeakPolarHBondContact CB-O 3.48Å; N44-L206 PolarHBondContact ND2-O 3.13Å |
| 207 | D | 91.9 | Very high | 83.4 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 38 | 62.6 | 177.3 | -172 | 44.4 | 0 | 0 | 0 | 116.5 | R43 | R43-D207 IonicContact CZ-OD2 3.66Å; R43-D207 IonicContact NH2-OD2 3.67Å; R43-D207 PolarHBondContact NH2-OD2 3.27Å |
| 208 | P | 94.4 | Very high | 81.9 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 8% | 0.078 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 138.3 | -179.3 | 27.4 | -27.9 | 0 | 0 | 0 | 113.2 | N44 V46 I205 R210 | N44-P208 HydrophobicContact CB-CB 4.32Å; N44-P208 WeakPolarHBondContact O-CA 3.48Å; V46-P208 HydrophobicContact CB-CB 4.33Å; V46-P208 HydrophobicContact CG2-CB 3.64Å; V46-P208 HydrophobicContact CG2-CG 3.78Å; I205-P208 HydrophobicContact CG2-CB 3.67Å; I205-P208 HydrophobicContact CG2-CG 3.86Å; P208-R210 PolarHBondContact O-N 3.35Å; P208-R210 PolarHBondContact O-NH1 3.36Å |
| 209 | V | 95.8 | Very high | 80.3 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124 | 157.9 | 176.6 | 0 | 0 | 0 | 0 | 108 | P38 R43 N44 L45 V46 V211 | P38-V209 HydrophobicContact CB-CB 4.33Å; P38-V209 HydrophobicContact CB-CG1 4.16Å; P38-V209 HydrophobicContact CB-CG2 4.26Å; P38-V209 HydrophobicContact CG-CG1 4.26Å; R43-V209 HydrophobicContact CB-CG2 3.91Å; R43-V209 HydrophobicContact CG-CG2 4.23Å; N44-V209 PolarHBondContact O-N 3.43Å; L45-V209 WeakPolarHBondContact CA-O 3.43Å; L45-V209 HydrophobicContact CD2-CB 3.86Å; L45-V209 HydrophobicContact CD2-CG1 4.18Å; V46-V209 PolarHBondContact N-O 3.35Å; V209-V211 HydrophobicContact CG1-CG1 4.18Å |
| 210 | R | 94.4 | Very high | 78.7 | Confident | 161 Ų | 161 | 72.6 Ų | 72.6 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.5 | -179.1 | -72.7 | 175.1 | 178.6 | 80 | -12.3 | 109.8 | V46 P208 | V46-R210 HydrophobicContact CB-CG 4.07Å; V46-R210 HydrophobicContact CG1-CG 4.42Å; V46-R210 WeakPolarHBondContact O-CA 3.32Å; P208-R210 PolarHBondContact O-N 3.35Å; P208-R210 PolarHBondContact O-NH1 3.36Å |
| 211 | V | 93.3 | Very high | 77.4 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 110 | I31 L34 V46 A47 L48 V209 | I31-V211 HydrophobicContact CD1-CG2 3.91Å; L34-V211 HydrophobicContact CB-CB 3.92Å; L34-V211 HydrophobicContact CB-CG1 4.03Å; L34-V211 HydrophobicContact CB-CG2 4.35Å; V46-V211 PolarHBondContact O-N 3.38Å; A47-V211 WeakPolarHBondContact CA-O 3.42Å; A47-V211 HydrophobicContact CB-CG2 3.78Å; L48-V211 PolarHBondContact N-O 2.92Å; V209-V211 HydrophobicContact CG1-CG1 4.18Å |
| 212 | S | 89.7 | Confident | 76.2 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.8 | 177.1 | 180 | 0 | 0 | 0 | 0 | 109.6 | L48 R214 | L48-S212 WeakPolarHBondContact O-CA 3.48Å; S212-R214 PolarHBondContact OG-N 3.09Å; S212-R214 VanDerWaalsContact OG-N 3.13Å; S212-R214 PolarHBondContact OG-O 2.88Å |
| 213 | T | 84.6 | Confident | 75.5 | Confident | 41 Ų | 41 | 73 Ų | 73 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.4 | -15.6 | 168.1 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | A30 I31 L34 L48 A49 | A30-T213 HydrophobicContact CB-CG2 3.89Å; I31-T213 HydrophobicContact CB-CG2 3.78Å; I31-T213 HydrophobicContact CD1-CG2 4.02Å; I31-T213 HydrophobicContact CG1-CG2 4.47Å; L34-T213 HydrophobicContact CD1-CG2 4.25Å; L48-T213 PolarHBondContact O-N 2.83Å; L48-T213 PolarHBondContact O-OG1 3.33Å; A49-T213 WeakPolarHBondContact CA-OG1 3.4Å; A49-T213 HydrophobicContact CB-CG2 4.35Å; A49-T213 VanDerWaalsContact CB-OG1 3.23Å; A49-T213 WeakPolarHBondContact CB-OG1 2.81Å |
| 214 | R | 71.9 | Confident | 75.3 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | trans | -86.4 | 135.5 | 179.3 | -67.3 | -173.6 | 174.8 | -166.9 | -1.1 | 110.8 | A191 S212 S216 K217 | A191-R214 VanDerWaalsContact O-CZ 3.28Å; A191-R214 PolarHBondContact O-NH1 3.29Å; S212-R214 PolarHBondContact OG-N 3.09Å; S212-R214 VanDerWaalsContact OG-N 3.13Å; S212-R214 PolarHBondContact OG-O 2.88Å; R214-S216 WeakPolarHBondContact CB-O 3.26Å; R214-K217 PolarHBondContact NH1-O 2.99Å | ||
| 215 | K | 64.7 | Low | 75.2 | Confident | 202 Ų | 202 | 74.8 Ų | 74.8 | 88% | 0.878 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78.7 | -27.6 | 168.1 | -64.2 | -176 | 179.3 | -179.2 | 0 | 112.5 | ||
| 216 | S | 58.2 | Low | 75.2 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -136.9 | 155.1 | -178.5 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | R214 F218 | R214-S216 WeakPolarHBondContact CB-O 3.26Å; S216-F218 PolarHBondContact O-N 3.45Å; S216-F218 PolarHBondContact OG-N 2.95Å; S216-F218 PolarHBondContact OG-O 3.09Å |
| 217 | K | 52.3 | Low | 75.4 | Confident | 164 Ų | 164 | 70.2 Ų | 70.2 | 71% | 0.713 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.8 | 176.6 | -75 | -175.3 | -180 | 178 | 0 | 112 | R214 | R214-K217 PolarHBondContact NH1-O 2.99Š|
| 218 | F | 52.4 | Low | 75.4 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 86.2 | 173.2 | -60.7 | -93.8 | 0 | 0 | 0 | 106.6 | S216 S220 M365 L400 A403 G405 | S216-F218 PolarHBondContact O-N 3.45Å; S216-F218 PolarHBondContact OG-N 2.95Å; S216-F218 PolarHBondContact OG-O 3.09Å; F218-S220 PolarHBondContact O-N 3.48Å; F218-M365 HydrophobicContact CD1-CG 4.22Å; F218-L400 HydrophobicContact CD1-CD2 4.45Å; F218-A403 HydrophobicContact CD2-CB 3.12Å; F218-A403 HydrophobicContact CE2-CB 3.21Å; F218-A403 HydrophobicContact CG-CB 3.97Å; F218-A403 HydrophobicContact CZ-CB 4.12Å; F218-G405 WeakPolarHBondContact O-CA 3.44Å |
| 219 | Q | 50.8 | Low | 75.2 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | trans | -71.6 | 117.7 | 172.1 | -173.3 | 164.9 | -0.3 | 0 | 0 | 107.4 | L221 | Q219-L221 PolarHBondContact O-N 2.85Š| ||
| 220 | S | 51.6 | Low | 74.8 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | trans | -55.9 | 128.4 | 166.8 | 61 | 0 | 0 | 0 | 0 | 107.5 | F218 T222 G405 | F218-S220 PolarHBondContact O-N 3.48Å; S220-T222 PolarHBondContact O-N 2.81Å; S220-T222 VanDerWaalsContact O-N 3.09Å; S220-G405 WeakPolarHBondContact CB-O 3.43Å | ||
| 221 | L | 58.6 | Low | 74.5 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | trans | -72.8 | 102.9 | 170.2 | -70.4 | 171 | 0 | 0 | 0 | 105.2 | Q219 N223 L224 A372 | Q219-L221 PolarHBondContact O-N 2.85Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-L224 HydrophobicContact CB-CB 3.53Å; L221-L224 HydrophobicContact CB-CD2 4.26Å; L221-L224 HydrophobicContact CD1-CB 4.44Å; L221-L224 HydrophobicContact CD1-CD2 4.1Å; L221-L224 WeakPolarHBondContact O-CB 3.33Å; L221-L224 PolarHBondContact O-N 3.25Å; L221-A372 HydrophobicContact CB-CB 4.47Å | ||
| 222 | T | 62.2 | Low | 74.1 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 76% | 0.755 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.2 | -174.4 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | S220 | S220-T222 PolarHBondContact O-N 2.81Å; S220-T222 VanDerWaalsContact O-N 3.09Å |
| 223 | N | 72.6 | Confident | 73.9 | Confident | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 8.1 | -176 | -59.5 | 4.1 | 0 | 0 | 0 | 112.6 | L221 A372 G375 R376 L377 G378 | L221-N223 PolarHBondContact O-N 2.89Å; N223-A372 HydrophobicContact CB-CB 4.43Å; N223-A372 WeakPolarHBondContact O-CB 3.31Å; N223-G375 VanDerWaalsContact ND2-C 3.26Å; N223-G375 WeakPolarHBondContact ND2-CA 3.46Å; N223-G375 PolarHBondContact ND2-O 3.45Å; N223-R376 WeakPolarHBondContact CB-O 3Å; N223-L377 HydrophobicContact CB-CD2 4.15Å; N223-L377 WeakPolarHBondContact O-CA 3.39Å; N223-G378 PolarHBondContact O-N 3.02Å |
| 224 | L | 80.1 | Confident | 73.8 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.2 | 178.1 | 178.2 | 70.5 | 0 | 0 | 0 | 110.3 | L221 Q226 V368 T371 A372 A380 | L221-L224 HydrophobicContact CB-CB 3.53Å; L221-L224 HydrophobicContact CB-CD2 4.26Å; L221-L224 HydrophobicContact CD1-CB 4.44Å; L221-L224 HydrophobicContact CD1-CD2 4.1Å; L221-L224 WeakPolarHBondContact O-CB 3.33Å; L221-L224 PolarHBondContact O-N 3.25Å; L224-Q226 HydrophobicContact CD1-CG 4.44Å; L224-Q226 HydrophobicContact CD2-CG 3.64Å; L224-Q226 HydrophobicContact CG-CG 3.64Å; L224-V368 HydrophobicContact CD1-CB 4.47Å; L224-V368 HydrophobicContact CD2-CB 3.91Å; L224-V368 HydrophobicContact CD2-CG2 3.67Å; L224-T371 HydrophobicContact CD1-CG2 3.3Å; L224-A372 HydrophobicContact CB-CB 3.65Å; L224-A372 HydrophobicContact CD1-CB 4.04Å; L224-A372 HydrophobicContact CG-CB 4.46Å; L224-A380 HydrophobicContact CD1-CB 4.13Å |
| 225 | R | 84.5 | Confident | 74.6 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.4 | 165.8 | -64.6 | -177.7 | -68.4 | 177.5 | 1.6 | 109.3 | Y227 L259 G378 C379 A380 | R225-Y227 HydrophobicContact CB-CE2 3.79Å; R225-L259 PolarHBondContact NH2-O 2.87Å; R225-G378 PolarHBondContact N-O 3.13Å; R225-C379 CarbonylContact O-C 3.58Å; R225-C379 WeakPolarHBondContact O-CA 3.35Å; R225-A380 PolarHBondContact O-N 2.87Å |
| 226 | Q | 88 | Confident | 75.9 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.2 | -177.6 | -59 | -178.8 | 85.6 | 0 | 0 | 108.6 | L224 Y364 A380 I411 P412 | L224-Q226 HydrophobicContact CD1-CG 4.44Å; L224-Q226 HydrophobicContact CD2-CG 3.64Å; L224-Q226 HydrophobicContact CG-CG 3.64Å; Q226-Y364 VanDerWaalsContact OE1-CE1 3.31Å; Q226-Y364 PolarHBondContact OE1-OH 3.35Å; Q226-A380 CarbonylContact C-O 3.56Å; Q226-A380 WeakPolarHBondContact CA-O 3.48Å; Q226-A380 HydrophobicContact CG-CB 4.42Å; Q226-I411 HydrophobicContact CB-CG2 3.84Å; Q226-P412 WeakPolarHBondContact O-CD 3.32Å; Q226-P412 WeakPolarHBondContact O-CG 3.43Å |
| 227 | Y | 90.8 | Very high | 77.6 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.1 | 177 | -58.4 | -77.5 | 0 | 0 | 0 | 110.8 | R225 L259 A380 L381 T382 P412 L414 | R225-Y227 HydrophobicContact CB-CE2 3.79Å; Y227-L259 HydrophobicContact CE1-CD1 3.92Å; Y227-L259 HydrophobicContact CE2-CB 4.02Å; Y227-A380 PolarHBondContact N-O 3.13Å; Y227-L381 CarbonylContact O-C 3.58Å; Y227-L381 WeakPolarHBondContact O-CA 3.43Å; Y227-T382 PolarHBondContact O-N 3.42Å; Y227-P412 VanDerWaalsContact CA-O 3.3Å; Y227-P412 WeakPolarHBondContact CA-O 3.27Å; Y227-P412 HydrophobicContact CD1-CG 3.93Å; Y227-P412 HydrophobicContact CE1-CG 4.03Å; Y227-L414 HydrophobicContact CD1-CD1 4.34Å; Y227-L414 HydrophobicContact CD2-CD1 4.1Å; Y227-L414 HydrophobicContact CG-CB 4.4Å; Y227-L414 HydrophobicContact CG-CD1 3.93Å |
| 228 | V | 91.7 | Very high | 79.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.3 | 166.4 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | T382 L384 F392 I411 P412 A413 L414 M506 | V228-T382 CarbonylContact C-O 3.57Å; V228-T382 WeakPolarHBondContact CA-O 3.43Å; V228-L384 HydrophobicContact CB-CD1 3.75Å; V228-L384 HydrophobicContact CB-CG 4.22Å; V228-L384 HydrophobicContact CG1-CD1 3.88Å; V228-L384 HydrophobicContact CG1-CG 4.38Å; V228-L384 HydrophobicContact CG2-CD1 4.33Å; V228-F392 HydrophobicContact CG1-CD1 4.49Å; V228-F392 HydrophobicContact CG1-CE1 3.61Å; V228-F392 HydrophobicContact CG1-CZ 3.66Å; V228-I411 HydrophobicContact CG1-CB 4.29Å; V228-I411 HydrophobicContact CG1-CG2 3.84Å; V228-P412 PolarHBondContact N-O 2.89Å; V228-A413 CarbonylContact O-C 3.52Å; V228-A413 VanDerWaalsContact O-CA 3.29Å; V228-A413 WeakPolarHBondContact O-CA 3.33Å; V228-L414 PolarHBondContact O-N 3.48Å; V228-M506 HydrophobicContact CG2-CE 3.73Å; V228-M506 HydrophobicContact CG2-SD 4.23Å |
| 229 | H | 91 | Very high | 81.7 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 126.7 | 170.5 | -166.9 | 81.8 | 0 | 0 | 0 | 110.1 | Y239 F243 L381 T382 L384 L414 R484 | H229-Y239 AromaticContact CD2-CD1 3.89Å; H229-Y239 AromaticContact NE2-CD1 3.76Å; H229-Y239 AromaticContact NE2-CE1 3.46Å; H229-Y239 WeakPolarHBondContact NE2-CE1 3.48Å; H229-F243 HydrophobicContact CB-CE2 4.37Å; H229-F243 HydrophobicContact CB-CZ 4.42Å; H229-F243 AromaticContact CD2-CE2 3.7Å; H229-F243 AromaticContact CD2-CZ 3.52Å; H229-F243 AromaticContact CG-CZ 3.78Å; H229-F243 AromaticContact NE2-CZ 3.72Å; H229-L381 HydrophobicContact CB-CD1 4.03Å; H229-T382 PolarHBondContact N-O 2.84Å; H229-L384 PolarHBondContact O-N 2.72Å; H229-L414 HydrophobicContact CB-CB 4.26Å; H229-R484 PolarHBondContact CE1-NH1 2.99Å; H229-R484 PolarHBondContact NE2-NH1 3.48Å; H229-R484 VanDerWaalsContact NE2-NH1 3.16Å |
| 230 | L | 88.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.3 | 177.7 | -72 | 163.1 | 0 | 0 | 0 | 110.3 | L384 V389 R484 M503 | L230-L384 CarbonylContact C-O 3.51Å; L230-L384 VanDerWaalsContact CA-O 3.3Å; L230-L384 WeakPolarHBondContact CA-O 3.39Å; L230-L384 HydrophobicContact CD2-CB 3.6Å; L230-L384 HydrophobicContact CD2-CD1 4.45Å; L230-L384 HydrophobicContact CG-CB 4.37Å; L230-V389 HydrophobicContact CD2-CB 4.01Å; L230-V389 HydrophobicContact CD2-CG2 3.78Å; L230-R484 PolarHBondContact O-NH1 3.43Å; L230-R484 VanDerWaalsContact O-NH1 3.13Å; L230-M503 HydrophobicContact CD1-CE 3.42Å; L230-M503 VanDerWaalsContact CD1-CE 3.42Å; L230-M503 HydrophobicContact CD1-CG 3.74Å; L230-M503 HydrophobicContact CD1-SD 3.02Å; L230-M503 WeakPolarHBondContact CD1-SD 3.45Å; L230-M503 HydrophobicContact CG-SD 4.49Å |
| 231 | V | 87.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.036 | 12% | 0.118 | C | C | . | . | trans | -132.1 | 137.5 | -176.6 | -60.6 | 0 | 0 | 0 | 0 | 110 | Q233 I236 Y239 L383 L384 T385 | V231-Q233 PolarHBondContact O-N 3.18Å; V231-I236 HydrophobicContact CG2-CB 4.23Å; V231-I236 HydrophobicContact CG2-CD1 4.37Å; V231-I236 HydrophobicContact CG2-CG1 3.93Å; V231-Y239 HydrophobicContact CB-CD2 3.98Å; V231-Y239 HydrophobicContact CB-CE2 4.41Å; V231-Y239 HydrophobicContact CB-CG 4.08Å; V231-Y239 HydrophobicContact CG1-CD1 3.6Å; V231-Y239 HydrophobicContact CG1-CD2 3.84Å; V231-Y239 HydrophobicContact CG1-CE1 4.16Å; V231-Y239 HydrophobicContact CG1-CE2 4.4Å; V231-Y239 HydrophobicContact CG1-CG 3.42Å; V231-Y239 VanDerWaalsContact CG1-CG 3.42Å; V231-L383 HydrophobicContact CG1-CD2 4.26Å; V231-L383 HydrophobicContact CG2-CB 4.08Å; V231-L384 PolarHBondContact N-O 3.12Å; V231-T385 HydrophobicContact CG2-CG2 3.78Å; V231-T385 WeakPolarHBondContact O-CA 3.44Å | ||
| 232 | P | 84.7 | Confident | 87.6 | Confident | 25 Ų | 25 | 22.5 Ų | 22.5 | 16% | 0.162 | 11% | 0.114 | C | C | . | . | trans | -60.5 | 133.8 | 166.1 | -21.7 | 34.7 | 0 | 0 | 0 | 110.2 | C234 E235 I236 | P232-C234 WeakPolarHBondContact CB-SG 3.42Å; P232-C234 PolarHBondContact O-N 2.99Å; P232-C234 VanDerWaalsContact O-N 3.15Å; P232-E235 HydrophobicContact CB-CB 4.41Å; P232-E235 PolarHBondContact O-N 3.01Å; P232-I236 PolarHBondContact O-N 3.44Å; P232-I236 VanDerWaalsContact O-N 3.09Å | ||
| 233 | Q | 84.2 | Confident | 89.2 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -54.4 | -35.7 | 178.5 | -178 | 63.6 | 38.3 | 0 | 0 | 112.6 | V231 E235 I236 T385 Y387 T470 P471 I476 | V231-Q233 PolarHBondContact O-N 3.18Å; Q233-E235 PolarHBondContact O-N 3.04Å; Q233-I236 VanDerWaalsContact O-CG2 3.23Å; Q233-I236 WeakPolarHBondContact O-CG2 3.37Å; Q233-T385 HydrophobicContact CB-CG2 4.45Å; Q233-T385 PolarHBondContact OE1-OG1 3.22Å; Q233-T385 VanDerWaalsContact OE1-OG1 3.11Å; Q233-Y387 HydrophobicContact CB-CD2 4.1Å; Q233-Y387 HydrophobicContact CB-CE2 3.79Å; Q233-Y387 HydrophobicContact CG-CD2 4.1Å; Q233-Y387 HydrophobicContact CG-CE2 3.88Å; Q233-T470 VanDerWaalsContact NE2-CG2 3.29Å; Q233-P471 PolarHBondContact NE2-O 3.23Å; Q233-I476 HydrophobicContact CB-CD1 4.19Å; Q233-I476 HydrophobicContact CG-CD1 3.6Å |
| 234 | C | 83.1 | Confident | 90.2 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 5% | 0.047 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -69.5 | -8.9 | 178.1 | 56.8 | 0 | 0 | 0 | 0 | 115 | P232 I473 T478 | P232-C234 WeakPolarHBondContact CB-SG 3.42Å; P232-C234 PolarHBondContact O-N 2.99Å; P232-C234 VanDerWaalsContact O-N 3.15Å; C234-I473 WeakPolarHBondContact O-CD1 3.39Å; C234-I473 WeakPolarHBondContact O-CG1 3.37Å; C234-T478 HydrophobicContact CB-CG2 3.27Å; C234-T478 WeakPolarHBondContact SG-CG2 3.14Å |
| 235 | E | 88.9 | Confident | 90.8 | Very high | 37 Ų | 37 | 18 Ų | 18 | 17% | 0.173 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -129.2 | 2.6 | -178.3 | -64.7 | -174.1 | 156 | 0 | 0 | 112.3 | P232 Q233 D237 S238 Y239 N433 | P232-E235 HydrophobicContact CB-CB 4.41Å; P232-E235 PolarHBondContact O-N 3.01Å; Q233-E235 PolarHBondContact O-N 3.04Å; E235-D237 PolarHBondContact O-N 2.9Å; E235-S238 WeakPolarHBondContact O-CA 3.48Å; E235-S238 VanDerWaalsContact O-CB 3.32Å; E235-S238 WeakPolarHBondContact O-CB 3.5Å; E235-S238 PolarHBondContact O-N 3.41Å; E235-Y239 HydrophobicContact CB-CD2 3.99Å; E235-Y239 HydrophobicContact CB-CE2 3.92Å; E235-Y239 WeakPolarHBondContact O-CD2 3.14Å; E235-Y239 PolarHBondContact O-N 2.84Å; E235-N433 PolarHBondContact OE1-ND2 3.36Å |
| 236 | I | 92 | Very high | 91.1 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -51.9 | -36.7 | -175.5 | -170.2 | 173 | 0 | 0 | 0 | 112.9 | V231 P232 Q233 L240 Y355 L383 T385 | V231-I236 HydrophobicContact CG2-CB 4.23Å; V231-I236 HydrophobicContact CG2-CD1 4.37Å; V231-I236 HydrophobicContact CG2-CG1 3.93Å; P232-I236 PolarHBondContact O-N 3.44Å; P232-I236 VanDerWaalsContact O-N 3.09Å; Q233-I236 VanDerWaalsContact O-CG2 3.23Å; Q233-I236 WeakPolarHBondContact O-CG2 3.37Å; I236-L240 WeakPolarHBondContact O-CB 2.9Å; I236-L240 PolarHBondContact O-N 2.9Å; I236-Y355 HydrophobicContact CB-CE2 4.36Å; I236-Y355 HydrophobicContact CD1-CD2 4.13Å; I236-Y355 HydrophobicContact CD1-CE1 4.25Å; I236-Y355 HydrophobicContact CD1-CE2 3.84Å; I236-Y355 HydrophobicContact CG1-CD2 4.05Å; I236-Y355 HydrophobicContact CG1-CE2 3.63Å; I236-Y355 HydrophobicContact CG2-CE2 3.99Å; I236-Y355 VanDerWaalsContact CG2-OH 3.27Å; I236-Y355 WeakPolarHBondContact CG2-OH 3.29Å; I236-L383 HydrophobicContact CG1-CD1 4.05Å; I236-T385 HydrophobicContact CD1-CG2 3.74Å |
| 237 | D | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.1 | -78.3 | -17.4 | 0 | 0 | 0 | 112 | E235 L240 V241 R294 L295 L298 Y355 V436 S440 I473 | E235-D237 PolarHBondContact O-N 2.9Å; D237-L240 PolarHBondContact O-N 3.18Å; D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.34Å; D237-V241 PolarHBondContact O-N 3.31Å; D237-R294 VanDerWaalsContact CG-NH1 3.3Å; D237-R294 IonicContact OD1-CZ 3.48Å; D237-R294 IonicContact OD1-NH1 3.47Å; D237-R294 PolarHBondContact OD1-NH1 2.86Å; D237-R294 IonicContact OD1-NH2 2.6Å; D237-R294 PolarHBondContact OD1-NH2 3.38Å; D237-R294 IonicContact OD2-CZ 3.47Å; D237-R294 IonicContact OD2-NH1 2.67Å; D237-R294 PolarHBondContact OD2-NH1 3.35Å; D237-R294 IonicContact OD2-NH2 3.54Å; D237-R294 PolarHBondContact OD2-NH2 3.18Å; D237-L295 WeakPolarHBondContact OD1-CD2 3.39Å; D237-L298 HydrophobicContact CB-CD2 3.83Å; D237-Y355 PolarHBondContact OD1-OH 3.13Å; D237-V436 HydrophobicContact CB-CG1 3.58Å; D237-S440 PolarHBondContact OD2-OG 3.49Å; D237-I473 HydrophobicContact CB-CD1 4.39Å |
| 238 | S | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | -179.2 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | E235 V241 Y242 N433 V436 | E235-S238 WeakPolarHBondContact O-CA 3.48Å; E235-S238 VanDerWaalsContact O-CB 3.32Å; E235-S238 WeakPolarHBondContact O-CB 3.5Å; E235-S238 PolarHBondContact O-N 3.41Å; S238-V241 PolarHBondContact O-N 3.31Å; S238-Y242 WeakPolarHBondContact O-CB 3.32Å; S238-Y242 PolarHBondContact O-N 3.48Å; S238-N433 PolarHBondContact OG-OD1 3.49Å; S238-V436 WeakPolarHBondContact OG-CG1 3.23Å |
| 239 | Y | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.1 | -79.7 | -91.4 | 0 | 0 | 0 | 112.1 | H229 V231 E235 V241 Y242 F243 L425 I429 R484 | H229-Y239 AromaticContact CD2-CD1 3.89Å; H229-Y239 AromaticContact NE2-CD1 3.76Å; H229-Y239 AromaticContact NE2-CE1 3.46Å; H229-Y239 WeakPolarHBondContact NE2-CE1 3.48Å; V231-Y239 HydrophobicContact CB-CD2 3.98Å; V231-Y239 HydrophobicContact CB-CE2 4.41Å; V231-Y239 HydrophobicContact CB-CG 4.08Å; V231-Y239 HydrophobicContact CG1-CD1 3.6Å; V231-Y239 HydrophobicContact CG1-CD2 3.84Å; V231-Y239 HydrophobicContact CG1-CE1 4.16Å; V231-Y239 HydrophobicContact CG1-CE2 4.4Å; V231-Y239 HydrophobicContact CG1-CG 3.42Å; V231-Y239 VanDerWaalsContact CG1-CG 3.42Å; E235-Y239 HydrophobicContact CB-CD2 3.99Å; E235-Y239 HydrophobicContact CB-CE2 3.92Å; E235-Y239 WeakPolarHBondContact O-CD2 3.14Å; E235-Y239 PolarHBondContact O-N 2.84Å; Y239-V241 PolarHBondContact O-N 3.1Å; Y239-Y242 PolarHBondContact O-N 3.37Å; Y239-F243 AromaticContact CD1-CE2 3.81Å; Y239-F243 HydrophobicContact CD1-CE2 3.81Å; Y239-F243 AromaticContact CD1-CZ 3.95Å; Y239-F243 HydrophobicContact CD1-CZ 3.95Å; Y239-F243 HydrophobicContact CG-CE2 4.41Å; Y239-F243 WeakPolarHBondContact O-CD2 3.32Å; Y239-F243 WeakPolarHBondContact O-CG 3.34Å; Y239-F243 PolarHBondContact O-N 2.72Å; Y239-L425 HydrophobicContact CE1-CD2 4.11Å; Y239-L425 HydrophobicContact CE1-CG 4.27Å; Y239-I429 HydrophobicContact CD1-CD1 4.08Å; Y239-I429 HydrophobicContact CD1-CG1 4.13Å; Y239-I429 HydrophobicContact CD2-CD1 4.32Å; Y239-I429 HydrophobicContact CD2-CG1 4.4Å; Y239-I429 HydrophobicContact CD2-CG2 4.16Å; Y239-I429 HydrophobicContact CE1-CD1 4.39Å; Y239-I429 HydrophobicContact CE1-CG1 3.92Å; Y239-I429 HydrophobicContact CE2-CB 4.5Å; Y239-I429 HydrophobicContact CE2-CG1 4.18Å; Y239-I429 HydrophobicContact CE2-CG2 3.76Å; Y239-I429 HydrophobicContact CG-CD1 4.05Å; Y239-I429 HydrophobicContact CG-CG1 4.37Å; Y239-R484 WeakPolarHBondContact OH-CD 3.42Å |
| 240 | L | 96.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 176.5 | 176.5 | 67.6 | 0 | 0 | 0 | 111.1 | I236 D237 Y242 F243 L244 V284 L295 L299 V353 Y355 L383 | I236-L240 WeakPolarHBondContact O-CB 2.9Å; I236-L240 PolarHBondContact O-N 2.9Å; D237-L240 PolarHBondContact O-N 3.18Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.39Å; L240-F243 PolarHBondContact O-N 3.36Å; L240-L244 HydrophobicContact CD1-CD1 3.78Å; L240-L244 HydrophobicContact CD1-CG 4.01Å; L240-L244 HydrophobicContact CD2-CD1 4.5Å; L240-L244 HydrophobicContact CG-CD1 3.88Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.4Å; L240-L244 VanDerWaalsContact O-CG 3.24Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.43Å; L240-V284 HydrophobicContact CD1-CG1 4.02Å; L240-V284 HydrophobicContact CD1-CG2 4.29Å; L240-V284 HydrophobicContact CD2-CG1 4.15Å; L240-L295 HydrophobicContact CD2-CD1 3.87Å; L240-L295 HydrophobicContact CD2-CD2 3.95Å; L240-L299 HydrophobicContact CD2-CD1 4.27Å; L240-L299 HydrophobicContact CD2-CD2 4.07Å; L240-L299 HydrophobicContact CG-CD2 4.28Å; L240-V353 HydrophobicContact CD1-CB 4.43Å; L240-V353 HydrophobicContact CD1-CG1 3.75Å; L240-Y355 HydrophobicContact CB-CD2 4.16Å; L240-Y355 HydrophobicContact CB-CE2 4.48Å; L240-Y355 HydrophobicContact CD1-CD2 4.5Å; L240-Y355 HydrophobicContact CD2-CD2 3.6Å; L240-Y355 HydrophobicContact CD2-CE2 4.07Å; L240-Y355 HydrophobicContact CD2-CG 4.42Å; L240-Y355 HydrophobicContact CG-CD2 4.28Å; L240-L383 HydrophobicContact CB-CD1 4.18Å; L240-L383 HydrophobicContact CD1-CD1 4.49Å |
| 241 | V | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | D237 S238 Y239 L244 R245 L299 F302 L432 V436 | D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.34Å; D237-V241 PolarHBondContact O-N 3.31Å; S238-V241 PolarHBondContact O-N 3.31Å; Y239-V241 PolarHBondContact O-N 3.1Å; V241-L244 PolarHBondContact O-N 3.25Å; V241-R245 HydrophobicContact CG1-CG 4.4Å; V241-R245 WeakPolarHBondContact O-CB 3.5Å; V241-R245 VanDerWaalsContact O-CG 3.3Å; V241-R245 WeakPolarHBondContact O-CG 3.49Å; V241-R245 PolarHBondContact O-N 2.87Å; V241-L299 HydrophobicContact CG2-CD2 3.81Å; V241-F302 HydrophobicContact CG1-CB 3.45Å; V241-F302 VanDerWaalsContact CG1-CB 3.45Å; V241-F302 HydrophobicContact CG1-CD1 4.14Å; V241-F302 HydrophobicContact CG1-CD2 4.38Å; V241-F302 HydrophobicContact CG1-CG 3.74Å; V241-F302 HydrophobicContact CG2-CB 4.37Å; V241-F302 HydrophobicContact CG2-CD2 4.18Å; V241-F302 HydrophobicContact CG2-CG 4.35Å; V241-L432 HydrophobicContact CB-CD2 4.11Å; V241-L432 HydrophobicContact CG1-CD1 4.36Å; V241-L432 HydrophobicContact CG1-CD2 3.8Å; V241-V436 HydrophobicContact CB-CG2 4.37Å; V241-V436 HydrophobicContact CG1-CG2 4.44Å; V241-V436 HydrophobicContact CG2-CG2 4.18Å |
| 242 | Y | 94.2 | Very high | 88.5 | Confident | 24 Ų | 24 | 21.4 Ų | 21.4 | 9% | 0.094 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | -179 | -174.4 | -95.4 | 0 | 0 | 0 | 112.2 | S238 Y239 L240 L244 R245 V246 V254 L257 L425 A428 I429 | S238-Y242 WeakPolarHBondContact O-CB 3.32Å; S238-Y242 PolarHBondContact O-N 3.48Å; Y239-Y242 PolarHBondContact O-N 3.37Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.39Å; Y242-L244 VanDerWaalsContact C-N 3.32Å; Y242-L244 PolarHBondContact O-N 3.4Å; Y242-R245 WeakPolarHBondContact O-CB 3.19Å; Y242-R245 PolarHBondContact O-N 3.28Å; Y242-R245 VanDerWaalsContact O-N 3.15Å; Y242-V246 HydrophobicContact CD1-CG2 4.08Å; Y242-V246 HydrophobicContact CE1-CG2 3.71Å; Y242-V246 WeakPolarHBondContact O-CG2 3.31Å; Y242-V246 PolarHBondContact O-N 3.01Å; Y242-V254 WeakPolarHBondContact OH-CG2 3.43Å; Y242-L257 HydrophobicContact CE1-CD1 3.7Å; Y242-L425 HydrophobicContact CD1-CD1 3.33Å; Y242-L425 HydrophobicContact CE1-CD1 3.22Å; Y242-L425 HydrophobicContact CG-CD1 4.24Å; Y242-A428 HydrophobicContact CD2-CB 4.18Å; Y242-A428 HydrophobicContact CE2-CB 3.46Å; Y242-A428 VanDerWaalsContact CE2-CB 3.46Å; Y242-I429 VanDerWaalsContact CB-CD1 3.48Å; Y242-I429 HydrophobicContact CD1-CD1 4.36Å; Y242-I429 HydrophobicContact CD2-CD1 4.43Å; Y242-I429 HydrophobicContact CG-CD1 3.86Å |
| 243 | F | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 179.4 | -67.1 | -46.1 | 0 | 0 | 0 | 112.8 | H229 Y239 L240 V246 A247 L257 I260 L381 L383 L414 L425 | H229-F243 HydrophobicContact CB-CE2 4.37Å; H229-F243 HydrophobicContact CB-CZ 4.42Å; H229-F243 AromaticContact CD2-CE2 3.7Å; H229-F243 AromaticContact CD2-CZ 3.52Å; H229-F243 AromaticContact CG-CZ 3.78Å; H229-F243 AromaticContact NE2-CZ 3.72Å; Y239-F243 AromaticContact CD1-CE2 3.81Å; Y239-F243 HydrophobicContact CD1-CE2 3.81Å; Y239-F243 AromaticContact CD1-CZ 3.95Å; Y239-F243 HydrophobicContact CD1-CZ 3.95Å; Y239-F243 HydrophobicContact CG-CE2 4.41Å; Y239-F243 WeakPolarHBondContact O-CD2 3.32Å; Y239-F243 WeakPolarHBondContact O-CG 3.34Å; Y239-F243 PolarHBondContact O-N 2.72Å; L240-F243 PolarHBondContact O-N 3.36Å; F243-V246 PolarHBondContact O-N 3.16Å; F243-A247 VanDerWaalsContact O-CB 3.27Å; F243-A247 WeakPolarHBondContact O-CB 3.18Å; F243-A247 PolarHBondContact O-N 3.23Å; F243-L257 HydrophobicContact CD1-CD1 4.46Å; F243-L257 HydrophobicContact CE1-CD1 4.28Å; F243-L257 HydrophobicContact CE1-CD2 4.14Å; F243-I260 HydrophobicContact CB-CD1 4.07Å; F243-I260 HydrophobicContact CD1-CD1 3.89Å; F243-I260 HydrophobicContact CG-CD1 4.35Å; F243-L381 HydrophobicContact CB-CD2 4.06Å; F243-L381 HydrophobicContact CD2-CD2 3.72Å; F243-L381 HydrophobicContact CE2-CD2 4.27Å; F243-L381 HydrophobicContact CG-CD2 3.86Å; F243-L383 HydrophobicContact CD2-CD2 3.98Å; F243-L383 HydrophobicContact CE2-CD2 3.93Å; F243-L414 HydrophobicContact CD1-CD2 4.08Å; F243-L414 HydrophobicContact CE1-CD2 3.72Å; F243-L414 HydrophobicContact CZ-CD2 4.06Å; F243-L425 HydrophobicContact CE1-CD1 4.12Å; F243-L425 HydrophobicContact CE1-CD2 4.24Å; F243-L425 HydrophobicContact CZ-CD1 4.41Å; F243-L425 HydrophobicContact CZ-CD2 4.1Å |
| 244 | L | 94.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | 174.5 | -70.2 | 177.7 | 0 | 0 | 0 | 111.9 | L240 V241 Y242 A247 L248 V282 V284 L299 L303 V333 V353 | L240-L244 HydrophobicContact CD1-CD1 3.78Å; L240-L244 HydrophobicContact CD1-CG 4.01Å; L240-L244 HydrophobicContact CD2-CD1 4.5Å; L240-L244 HydrophobicContact CG-CD1 3.88Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.4Å; L240-L244 VanDerWaalsContact O-CG 3.24Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.43Å; V241-L244 PolarHBondContact O-N 3.25Å; Y242-L244 VanDerWaalsContact C-N 3.32Å; Y242-L244 PolarHBondContact O-N 3.4Å; L244-A247 PolarHBondContact O-N 3.02Å; L244-L248 HydrophobicContact CB-CD1 4.41Å; L244-L248 VanDerWaalsContact O-CB 3.23Å; L244-L248 WeakPolarHBondContact O-CB 3.25Å; L244-L248 WeakPolarHBondContact O-CD1 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.27Å; L244-V282 HydrophobicContact CD2-CB 4.44Å; L244-V282 HydrophobicContact CD2-CG1 3.65Å; L244-V284 HydrophobicContact CD1-CG2 4.06Å; L244-V284 HydrophobicContact CD2-CG2 4.2Å; L244-L299 HydrophobicContact CD1-CD1 3.81Å; L244-L299 HydrophobicContact CD1-CD2 3.77Å; L244-L299 HydrophobicContact CD1-CG 4.43Å; L244-L303 HydrophobicContact CB-CD1 4.04Å; L244-L303 HydrophobicContact CB-CD2 3.98Å; L244-L303 HydrophobicContact CD1-CD1 3.91Å; L244-V333 HydrophobicContact CD1-CG1 4.35Å; L244-V353 HydrophobicContact CD2-CG2 4.16Å |
| 245 | R | 91.8 | Very high | 86.5 | Confident | 92 Ų | 92 | 31.8 Ų | 31.8 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 173.1 | -75.9 | 179.2 | 67 | -172 | -0 | 110.8 | V241 Y242 A247 L248 C249 I252 L303 | V241-R245 HydrophobicContact CG1-CG 4.4Å; V241-R245 WeakPolarHBondContact O-CB 3.5Å; V241-R245 VanDerWaalsContact O-CG 3.3Å; V241-R245 WeakPolarHBondContact O-CG 3.49Å; V241-R245 PolarHBondContact O-N 2.87Å; Y242-R245 WeakPolarHBondContact O-CB 3.19Å; Y242-R245 PolarHBondContact O-N 3.28Å; Y242-R245 VanDerWaalsContact O-N 3.15Å; R245-A247 VanDerWaalsContact C-N 3.33Å; R245-A247 PolarHBondContact O-N 3.3Å; R245-L248 PolarHBondContact O-N 3.31Å; R245-C249 WeakPolarHBondContact O-CA 3.3Å; R245-C249 WeakPolarHBondContact O-CB 3.39Å; R245-C249 PolarHBondContact O-N 3.23Å; R245-I252 HydrophobicContact CB-CD1 3.79Å; R245-L303 HydrophobicContact CG-CD2 3.7Å |
| 246 | V | 90.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.5 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | Y242 F243 I252 V254 L257 I260 K261 | Y242-V246 HydrophobicContact CD1-CG2 4.08Å; Y242-V246 HydrophobicContact CE1-CG2 3.71Å; Y242-V246 WeakPolarHBondContact O-CG2 3.31Å; Y242-V246 PolarHBondContact O-N 3.01Å; F243-V246 PolarHBondContact O-N 3.16Å; V246-I252 HydrophobicContact CG2-CG2 3.88Å; V246-V254 HydrophobicContact CG2-CG2 4.2Å; V246-L257 HydrophobicContact CG1-CB 3.86Å; V246-L257 HydrophobicContact CG1-CD1 4.42Å; V246-L257 HydrophobicContact CG2-CD1 4.23Å; V246-I260 HydrophobicContact CB-CD1 4.29Å; V246-I260 HydrophobicContact CG1-CD1 4.13Å; V246-I260 HydrophobicContact CG1-CG1 4.27Å; V246-K261 HydrophobicContact CG1-CG 4.45Å |
| 247 | A | 89.8 | Confident | 85 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.1 | -35 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F243 L244 R245 I260 L262 L351 | F243-A247 VanDerWaalsContact O-CB 3.27Å; F243-A247 WeakPolarHBondContact O-CB 3.18Å; F243-A247 PolarHBondContact O-N 3.23Å; L244-A247 PolarHBondContact O-N 3.02Å; R245-A247 VanDerWaalsContact C-N 3.33Å; R245-A247 PolarHBondContact O-N 3.3Å; A247-I260 WeakPolarHBondContact CB-O 3.5Å; A247-L262 HydrophobicContact CB-CD1 4.45Å; A247-L262 HydrophobicContact CB-CG 4.37Å; A247-L262 WeakPolarHBondContact O-CB 3.36Å; A247-L262 WeakPolarHBondContact O-CG 3.47Å; A247-L262 PolarHBondContact O-N 3.14Å; A247-L351 HydrophobicContact CB-CD2 3.64Å |
| 248 | L | 88.1 | Confident | 84.3 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -103.8 | -19.4 | -170.4 | -68.3 | 165.4 | 0 | 0 | 0 | 114.8 | L244 R245 P250 L262 V282 L303 Q305 V333 | L244-L248 HydrophobicContact CB-CD1 4.41Å; L244-L248 VanDerWaalsContact O-CB 3.23Å; L244-L248 WeakPolarHBondContact O-CB 3.25Å; L244-L248 WeakPolarHBondContact O-CD1 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.27Å; R245-L248 PolarHBondContact O-N 3.31Å; L248-P250 WeakPolarHBondContact O-CD 3.41Å; L248-L262 HydrophobicContact CD2-CD1 4.05Å; L248-V282 HydrophobicContact CD1-CG2 4.49Å; L248-V282 HydrophobicContact CD2-CG2 3.84Å; L248-V282 HydrophobicContact CG-CG2 4.24Å; L248-L303 HydrophobicContact CD1-CD1 4.26Å; L248-Q305 HydrophobicContact CD2-CG 4.4Å; L248-Q305 PolarHBondContact O-NE2 2.99Å; L248-V333 HydrophobicContact CD1-CG2 3.45Å; L248-V333 VanDerWaalsContact CD1-CG2 3.45Å |
| 249 | C | 82.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | trans | -108.7 | 103.9 | -178.9 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | R245 E251 I252 | R245-C249 WeakPolarHBondContact O-CA 3.3Å; R245-C249 WeakPolarHBondContact O-CB 3.39Å; R245-C249 PolarHBondContact O-N 3.23Å; C249-E251 WeakPolarHBondContact CB-OE2 3.43Å; C249-E251 PolarHBondContact O-N 2.82Å; C249-E251 VanDerWaalsContact O-N 3.16Å; C249-I252 HydrophobicContact CB-CB 4.49Å; C249-I252 HydrophobicContact CB-CD1 3.78Å; C249-I252 HydrophobicContact CB-CG1 3.92Å; C249-I252 PolarHBondContact O-N 3.43Å; C249-I252 VanDerWaalsContact O-N 3.13Å | ||
| 250 | P | 71.1 | Confident | 83 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.9 | -179.8 | -21.1 | 33.7 | 0 | 0 | 0 | 113 | L248 I252 | L248-P250 WeakPolarHBondContact O-CD 3.41Å; P250-I252 PolarHBondContact O-N 3.04Å |
| 251 | E | 76.3 | Confident | 82.3 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 59% | 0.593 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.6 | -179.2 | -45.8 | 96.7 | 147.9 | 0 | 0 | 112.3 | C249 Q253 R304 | C249-E251 WeakPolarHBondContact CB-OE2 3.43Å; C249-E251 PolarHBondContact O-N 2.82Å; C249-E251 VanDerWaalsContact O-N 3.16Å; E251-Q253 PolarHBondContact O-N 3.48Å; E251-Q253 VanDerWaalsContact O-N 3.16Å; E251-R304 IonicContact OE1-NH1 2.8Å; E251-R304 PolarHBondContact OE1-NH1 2.85Å |
| 252 | I | 75.8 | Confident | 81.4 | Confident | 40 Ų | 40 | 41.5 Ų | 41.5 | 21% | 0.205 | 22% | 0.219 | C | C | . | . | trans | -84.7 | 93.3 | 179.4 | -59.4 | 179.4 | 0 | 0 | 0 | 108.3 | R245 V246 C249 P250 V254 K261 | R245-I252 HydrophobicContact CB-CD1 3.79Å; V246-I252 HydrophobicContact CG2-CG2 3.88Å; C249-I252 HydrophobicContact CB-CB 4.49Å; C249-I252 HydrophobicContact CB-CD1 3.78Å; C249-I252 HydrophobicContact CB-CG1 3.92Å; C249-I252 PolarHBondContact O-N 3.43Å; C249-I252 VanDerWaalsContact O-N 3.13Å; P250-I252 PolarHBondContact O-N 3.04Å; I252-V254 HydrophobicContact CG2-CG2 3.75Å; I252-K261 VanDerWaalsContact O-CE 3.3Å; I252-K261 WeakPolarHBondContact O-CE 3.23Å | ||
| 253 | Q | 69 | Low | 80 | Confident | 162 Ų | 162 | 43.5 Ų | 43.5 | 76% | 0.757 | 23% | 0.229 | S | C | * | . | trans | -89.6 | 106.4 | 174.2 | -64.1 | -174 | -4.7 | 0 | 0 | 110 | E251 | E251-Q253 PolarHBondContact O-N 3.48Å; E251-Q253 VanDerWaalsContact O-N 3.16Å | ||
| 254 | V | 71.5 | Confident | 78 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -122.3 | 105.5 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | Y242 V246 I252 G256 L257 | Y242-V254 WeakPolarHBondContact OH-CG2 3.43Å; V246-V254 HydrophobicContact CG2-CG2 4.2Å; I252-V254 HydrophobicContact CG2-CG2 3.75Å; V254-G256 PolarHBondContact O-N 3.2Å; V254-L257 HydrophobicContact CB-CB 4.33Å; V254-L257 HydrophobicContact CB-CD1 4.21Å; V254-L257 HydrophobicContact CG1-CB 4.45Å; V254-L257 HydrophobicContact CG1-CD1 3.83Å; V254-L257 HydrophobicContact CG1-CG 4.18Å; V254-L257 PolarHBondContact O-N 3.22Å; V254-L257 VanDerWaalsContact O-N 3.12Å | ||
| 255 | P | 68.6 | Low | 75.4 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 130.4 | 177.8 | -26.9 | 34.6 | 0 | 0 | 0 | 110.9 | V421 | P255-V421 VanDerWaalsContact O-CG1 3.29Å; P255-V421 WeakPolarHBondContact O-CG1 3.39Å; P255-V421 VanDerWaalsContact O-CG2 3.26Å; P255-V421 WeakPolarHBondContact O-CG2 3.4Å |
| 256 | G | 68.7 | Low | 72.7 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -9.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V254 D258 | V254-G256 PolarHBondContact O-N 3.2Å; G256-D258 PolarHBondContact N-OD2 3.39Å |
| 257 | L | 82.6 | Confident | 69.9 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -102.4 | 9.5 | 169.8 | -66.7 | -179.7 | 0 | 0 | 0 | 113.2 | Y242 F243 V246 V254 L259 I260 L414 V415 | Y242-L257 HydrophobicContact CE1-CD1 3.7Å; F243-L257 HydrophobicContact CD1-CD1 4.46Å; F243-L257 HydrophobicContact CE1-CD1 4.28Å; F243-L257 HydrophobicContact CE1-CD2 4.14Å; V246-L257 HydrophobicContact CG1-CB 3.86Å; V246-L257 HydrophobicContact CG1-CD1 4.42Å; V246-L257 HydrophobicContact CG2-CD1 4.23Å; V254-L257 HydrophobicContact CB-CB 4.33Å; V254-L257 HydrophobicContact CB-CD1 4.21Å; V254-L257 HydrophobicContact CG1-CB 4.45Å; V254-L257 HydrophobicContact CG1-CD1 3.83Å; V254-L257 HydrophobicContact CG1-CG 4.18Å; V254-L257 PolarHBondContact O-N 3.22Å; V254-L257 VanDerWaalsContact O-N 3.12Å; L257-L259 PolarHBondContact O-N 2.82Å; L257-L259 VanDerWaalsContact O-N 3.11Å; L257-I260 HydrophobicContact CB-CG1 4.48Å; L257-I260 WeakPolarHBondContact O-CG1 3.31Å; L257-I260 PolarHBondContact O-N 2.98Å; L257-L414 HydrophobicContact CD2-CD1 4.4Å; L257-L414 HydrophobicContact CD2-CD2 3.8Å; L257-L414 HydrophobicContact CD2-CG 3.88Å; L257-V415 HydrophobicContact CD2-CG2 3.47Å; L257-V415 VanDerWaalsContact CD2-CG2 3.47Å; L257-V415 HydrophobicContact CG-CG2 4.47Å | ||
| 258 | D | 79.7 | Confident | 67.1 | Low | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.3 | -22.6 | 177.8 | -55.6 | -66.9 | 0 | 0 | 0 | 112.6 | G256 I260 K261 | G256-D258 PolarHBondContact N-OD2 3.39Å; D258-I260 PolarHBondContact O-N 2.89Å; D258-K261 WeakPolarHBondContact O-CB 3.46Å; D258-K261 PolarHBondContact O-N 3.12Å; D258-K261 VanDerWaalsContact O-N 3.14Å; D258-K261 WeakPolarHBondContact OD1-CE 3.41Å; D258-K261 IonicContact OD1-NZ 3.22Å; D258-K261 PolarHBondContact OD1-NZ 3.35Å |
| 259 | L | 78.3 | Confident | 64.4 | Low | 61 Ų | 61 | 73 Ų | 73 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -60 | -28.5 | 178.3 | -60.4 | 171.9 | 0 | 0 | 0 | 113.6 | R225 Y227 L257 L414 | R225-L259 PolarHBondContact NH2-O 2.87Å; Y227-L259 HydrophobicContact CE1-CD1 3.92Å; Y227-L259 HydrophobicContact CE2-CB 4.02Å; L257-L259 PolarHBondContact O-N 2.82Å; L257-L259 VanDerWaalsContact O-N 3.11Å; L259-L414 HydrophobicContact CB-CD1 4.46Å |
| 260 | I | 83.6 | Confident | 62 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -100.7 | -4.3 | 179.2 | 59.8 | 162.5 | 0 | 0 | 0 | 113.3 | F243 V246 A247 L257 D258 L414 | F243-I260 HydrophobicContact CB-CD1 4.07Å; F243-I260 HydrophobicContact CD1-CD1 3.89Å; F243-I260 HydrophobicContact CG-CD1 4.35Å; V246-I260 HydrophobicContact CB-CD1 4.29Å; V246-I260 HydrophobicContact CG1-CD1 4.13Å; V246-I260 HydrophobicContact CG1-CG1 4.27Å; A247-I260 WeakPolarHBondContact CB-O 3.5Å; L257-I260 HydrophobicContact CB-CG1 4.48Å; L257-I260 WeakPolarHBondContact O-CG1 3.31Å; L257-I260 PolarHBondContact O-N 2.98Å; D258-I260 PolarHBondContact O-N 2.89Å; I260-L414 HydrophobicContact CD1-CD2 4.43Å; I260-L414 HydrophobicContact CG2-CD1 3.65Å; I260-L414 HydrophobicContact CG2-CD2 4.18Å |
| 261 | K | 81.6 | Confident | 60.2 | Low | 42 Ų | 42 | 85 Ų | 85 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | trans | -66.4 | 136.7 | 177.6 | -75.3 | -176.7 | 178.2 | 164.2 | 0 | 110.5 | V246 I252 D258 Q263 | V246-K261 HydrophobicContact CG1-CG 4.45Å; I252-K261 VanDerWaalsContact O-CE 3.3Å; I252-K261 WeakPolarHBondContact O-CE 3.23Å; D258-K261 WeakPolarHBondContact O-CB 3.46Å; D258-K261 PolarHBondContact O-N 3.12Å; D258-K261 VanDerWaalsContact O-N 3.14Å; D258-K261 WeakPolarHBondContact OD1-CE 3.41Å; D258-K261 IonicContact OD1-NZ 3.22Å; D258-K261 PolarHBondContact OD1-NZ 3.35Å; K261-Q263 VanDerWaalsContact C-N 3.33Å | ||
| 262 | L | 76.5 | Confident | 58 | Low | 25 Ų | 25 | 84 Ų | 84 | 13% | 0.131 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -91.9 | 4.1 | -176.9 | -63.5 | -179.6 | 0 | 0 | 0 | 113.9 | A247 L248 T280 V282 G350 L351 | A247-L262 HydrophobicContact CB-CD1 4.45Å; A247-L262 HydrophobicContact CB-CG 4.37Å; A247-L262 WeakPolarHBondContact O-CB 3.36Å; A247-L262 WeakPolarHBondContact O-CG 3.47Å; A247-L262 PolarHBondContact O-N 3.14Å; L248-L262 HydrophobicContact CD2-CD1 4.05Å; L262-T280 WeakPolarHBondContact CB-OG1 3.24Å; L262-T280 VanDerWaalsContact CD1-O 3.31Å; L262-T280 WeakPolarHBondContact CD1-O 3.02Å; L262-T280 WeakPolarHBondContact CD2-OG1 3.49Å; L262-V282 HydrophobicContact CD1-CG2 3.42Å; L262-V282 VanDerWaalsContact CD1-CG2 3.42Å; L262-G350 VanDerWaalsContact CD2-C 3.49Å; L262-L351 HydrophobicContact CD1-CB 4.31Å; L262-L351 HydrophobicContact CD2-CB 3.78Å; L262-L351 HydrophobicContact CG-CB 4.47Å |
| 263 | Q | 65.6 | Low | 55.9 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -124.2 | 121.4 | 170.8 | -64.4 | -176 | -6 | 0 | 0 | 107.6 | K261 S279 | K261-Q263 VanDerWaalsContact C-N 3.33Å; Q263-S279 PolarHBondContact NE2-OG 3.22Å |
| 264 | S | 52.8 | Low | 54 | Low | 87 Ų | 87 | 86.7 Ų | 86.7 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | trans | -86.5 | 118.6 | 167.5 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | S266 F277 | S264-S266 PolarHBondContact O-N 2.96Å; S264-F277 WeakPolarHBondContact O-CE1 3.31Å | ||
| 265 | T | 39.3 | Very low | 52 | Low | 133 Ų | 133 | 92.3 Ų | 92.3 | 82% | 0.816 | 54% | 0.535 | S | S | * | . | trans | -67.9 | 88 | 158.2 | 39.4 | 0 | 0 | 0 | 0 | 107.6 | T267 | T265-T267 PolarHBondContact O-N 2.91Š| ||
| 266 | S | 34.7 | Very low | 50.3 | Low | 66 Ų | 66 | 93.4 Ų | 93.4 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | trans | -81 | 100 | 166.3 | 42.5 | 0 | 0 | 0 | 0 | 107.8 | S264 E268 | S264-S266 PolarHBondContact O-N 2.96Å; S266-E268 PolarHBondContact O-N 3.35Å | ||
| 267 | T | 30.5 | Very low | 49.4 | Very low | 138 Ų | 138 | 96.5 Ų | 96.5 | 85% | 0.847 | 55% | 0.548 | S | S | * | . | trans | -83 | 35.8 | 175.5 | -11.1 | 0 | 0 | 0 | 0 | 112.1 | T265 | T265-T267 PolarHBondContact O-N 2.91Š| ||
| 268 | E | 31.4 | Very low | 48 | Very low | 151 Ų | 151 | 102.1 Ų | 102.1 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | -138.5 | 121.8 | 179.2 | -70.9 | 179.2 | -167.2 | 0 | 0 | 109 | S266 | S266-E268 PolarHBondContact O-N 3.35Š| ||
| 269 | N | 32 | Very low | 47.2 | Very low | 154 Ų | 154 | 100 Ų | 100 | 82% | 0.824 | 57% | 0.568 | S | S | * | * | trans | 95.8 | 79.2 | -172.1 | -52.6 | -41.5 | 0 | 0 | 0 | 115.2 | D271 | N269-D271 VanDerWaalsContact C-N 3.28Å; N269-D271 PolarHBondContact O-N 2.96Å; N269-D271 VanDerWaalsContact O-N 3.09Å | ||
| 270 | L | 33.1 | Very low | 47.3 | Very low | 173 Ų | 173 | 99.7 Ų | 99.7 | 91% | 0.906 | 57% | 0.568 | S | S | * | * | trans | -61.9 | 95.8 | 143 | -73.3 | 107.1 | 0 | 0 | 0 | 107 | ||||
| 271 | D | 32.7 | Very low | 47.6 | Very low | 152 Ų | 152 | 100.4 Ų | 100.4 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | trans | 171.2 | 79.6 | 152 | -85.4 | -16.9 | 0 | 0 | 0 | 110.3 | N269 | N269-D271 VanDerWaalsContact C-N 3.28Å; N269-D271 PolarHBondContact O-N 2.96Å; N269-D271 VanDerWaalsContact O-N 3.09Å | ||
| 272 | C | 31 | Very low | 48.1 | Very low | 104 Ų | 104 | 98.4 Ų | 98.4 | 70% | 0.703 | 56% | 0.564 | S | S | * | * | trans | 172.2 | 103 | 146 | -96.8 | 0 | 0 | 0 | 0 | 109.1 | N274 | C272-N274 VanDerWaalsContact C-N 3.28Å; C272-N274 PolarHBondContact O-N 3.02Å | ||
| 273 | A | 30.9 | Very low | 49 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 87.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 274 | N | 29.3 | Very low | 50.4 | Low | 158 Ų | 158 | 94.1 Ų | 94.1 | 85% | 0.845 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 158.9 | 38 | 155.7 | -84.1 | -25.8 | 0 | 0 | 0 | 113.3 | C272 S276 | C272-N274 VanDerWaalsContact C-N 3.28Å; C272-N274 PolarHBondContact O-N 3.02Å; N274-S276 VanDerWaalsContact C-N 3.32Å; N274-S276 PolarHBondContact O-N 3.35Å |
| 275 | Q | 29.7 | Very low | 52.4 | Low | 131 Ų | 131 | 90 Ų | 90 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | trans | -77.1 | 87 | 165.5 | -78.3 | -176.2 | 6.6 | 0 | 0 | 110 | F277 | Q275-F277 HydrophobicContact CB-CE2 4.3Å; Q275-F277 WeakPolarHBondContact O-CD2 3.35Å; Q275-F277 PolarHBondContact O-N 3Å; Q275-F277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | S | 33.4 | Very low | 55.1 | Low | 102 Ų | 102 | 83.6 Ų | 83.6 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | trans | -69.2 | 99.4 | 166.6 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | N274 M278 | N274-S276 VanDerWaalsContact C-N 3.32Å; N274-S276 PolarHBondContact O-N 3.35Å; S276-M278 PolarHBondContact O-N 3.19Å | ||
| 277 | F | 47.8 | Very low | 57.6 | Low | 101 Ų | 101 | 83.7 Ų | 83.7 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | trans | -64.7 | 101.7 | 174 | -72.7 | -86.5 | 0 | 0 | 0 | 109.4 | S264 Q275 S279 | S264-F277 WeakPolarHBondContact O-CE1 3.31Å; Q275-F277 HydrophobicContact CB-CE2 4.3Å; Q275-F277 WeakPolarHBondContact O-CD2 3.35Å; Q275-F277 PolarHBondContact O-N 3Å; Q275-F277 VanDerWaalsContact O-N 3.08Å; F277-S279 PolarHBondContact O-N 3.27Å | ||
| 278 | M | 53.4 | Low | 60.4 | Low | 118 Ų | 118 | 77.4 Ų | 77.4 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | trans | -77 | 112 | -178.6 | -61.2 | 175.5 | 84.7 | 0 | 0 | 109.9 | S276 T280 Q330 | S276-M278 PolarHBondContact O-N 3.19Å; M278-T280 PolarHBondContact O-N 3.14Å; M278-T280 VanDerWaalsContact O-N 3.09Å; M278-Q330 HydrophobicContact CE-CG 4.48Å | ||
| 279 | S | 63.9 | Low | 63.1 | Low | 38 Ų | 38 | 72.5 Ų | 72.5 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | trans | -57.7 | 115.5 | 174 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | Q263 F277 G331 | Q263-S279 PolarHBondContact NE2-OG 3.22Å; F277-S279 PolarHBondContact O-N 3.27Å; S279-G331 PolarHBondContact O-N 3.11Å | ||
| 280 | T | 79.3 | Confident | 65.8 | Low | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | trans | -71.2 | 147.8 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | L262 M278 G350 | L262-T280 WeakPolarHBondContact CB-OG1 3.24Å; L262-T280 VanDerWaalsContact CD1-O 3.31Å; L262-T280 WeakPolarHBondContact CD1-O 3.02Å; L262-T280 WeakPolarHBondContact CD2-OG1 3.49Å; M278-T280 PolarHBondContact O-N 3.14Å; M278-T280 VanDerWaalsContact O-N 3.09Å; T280-G350 VanDerWaalsContact OG1-CA 3.32Å; T280-G350 WeakPolarHBondContact OG1-CA 3.46Å | ||
| 281 | S | 90.5 | Very high | 68.5 | Low | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | trans | -74.8 | 163.5 | 178.7 | -55 | 0 | 0 | 0 | 0 | 112.1 | F326 T329 A332 V349 G350 | S281-F326 VanDerWaalsContact CB-CZ 3.48Å; S281-T329 PolarHBondContact OG-O 3.3Å; S281-A332 WeakPolarHBondContact CA-O 3.27Å; S281-A332 VanDerWaalsContact CB-O 3.31Å; S281-A332 WeakPolarHBondContact CB-O 3.32Å; S281-V349 WeakPolarHBondContact O-CA 3.33Å; S281-V349 VanDerWaalsContact O-CB 3.23Å; S281-V349 WeakPolarHBondContact O-CB 3.31Å; S281-G350 PolarHBondContact O-N 2.96Å | ||
| 282 | V | 93.1 | Very high | 71.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.3 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | L244 L248 L262 V284 A332 V333 L334 L351 V353 | L244-V282 HydrophobicContact CD2-CB 4.44Å; L244-V282 HydrophobicContact CD2-CG1 3.65Å; L248-V282 HydrophobicContact CD1-CG2 4.49Å; L248-V282 HydrophobicContact CD2-CG2 3.84Å; L248-V282 HydrophobicContact CG-CG2 4.24Å; L262-V282 HydrophobicContact CD1-CG2 3.42Å; L262-V282 VanDerWaalsContact CD1-CG2 3.42Å; V282-V284 HydrophobicContact CG1-CG2 4.37Å; V282-A332 PolarHBondContact N-O 2.8Å; V282-V333 HydrophobicContact CB-CG2 4.36Å; V282-V333 WeakPolarHBondContact O-CA 3.49Å; V282-L334 PolarHBondContact O-N 2.87Å; V282-L351 WeakPolarHBondContact CA-O 2.94Å; V282-L351 HydrophobicContact CG1-CB 4.2Å; V282-L351 HydrophobicContact CG1-CD2 4.23Å; V282-L351 HydrophobicContact CG1-CG 4.19Å; V282-L351 WeakPolarHBondContact CG1-O 3.16Å; V282-L351 HydrophobicContact CG2-CB 4.15Å; V282-V353 HydrophobicContact CG1-CG2 4.21Å |
| 283 | I | 93.8 | Very high | 74.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.3 | 166.6 | -166.6 | 167.3 | 0 | 0 | 0 | 110.3 | F285 L334 A336 I346 V349 L351 V352 V353 | I283-F285 HydrophobicContact CD1-CE1 3.93Å; I283-F285 HydrophobicContact CD1-CE2 3.82Å; I283-F285 HydrophobicContact CD1-CZ 3.43Å; I283-F285 VanDerWaalsContact CD1-CZ 3.43Å; I283-F285 HydrophobicContact CG1-CD2 4.4Å; I283-F285 HydrophobicContact CG1-CE1 4.48Å; I283-F285 HydrophobicContact CG1-CE2 4.02Å; I283-F285 HydrophobicContact CG1-CZ 4.07Å; I283-F285 HydrophobicContact CG2-CD2 4.27Å; I283-F285 HydrophobicContact CG2-CE2 3.74Å; I283-F285 HydrophobicContact CG2-CZ 4.44Å; I283-L334 CarbonylContact C-O 3.49Å; I283-L334 WeakPolarHBondContact CA-O 3.37Å; I283-L334 HydrophobicContact CD1-CD2 4.01Å; I283-L334 HydrophobicContact CG1-CB 4.28Å; I283-L334 HydrophobicContact CG1-CD2 4.3Å; I283-L334 HydrophobicContact CG1-CG 4.48Å; I283-A336 HydrophobicContact CD1-CB 4.44Å; I283-I346 HydrophobicContact CD1-CD1 3.83Å; I283-I346 HydrophobicContact CD1-CG2 4.45Å; I283-V349 HydrophobicContact CB-CG1 4.42Å; I283-V349 HydrophobicContact CB-CG2 4.49Å; I283-V349 HydrophobicContact CG2-CG2 3.85Å; I283-L351 PolarHBondContact N-O 2.91Å; I283-V352 HydrophobicContact CG2-CB 4.05Å; I283-V352 HydrophobicContact CG2-CG1 3.98Å; I283-V352 HydrophobicContact CG2-CG2 3.69Å; I283-V353 PolarHBondContact O-N 2.79Å |
| 284 | V | 96 | Very high | 77.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.3 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | L240 L244 V282 V333 L334 V335 A336 V353 | L240-V284 HydrophobicContact CD1-CG1 4.02Å; L240-V284 HydrophobicContact CD1-CG2 4.29Å; L240-V284 HydrophobicContact CD2-CG1 4.15Å; L244-V284 HydrophobicContact CD1-CG2 4.06Å; L244-V284 HydrophobicContact CD2-CG2 4.2Å; V282-V284 HydrophobicContact CG1-CG2 4.37Å; V284-V333 HydrophobicContact CG2-CG1 3.8Å; V284-L334 PolarHBondContact N-O 2.96Å; V284-V335 HydrophobicContact CB-CG2 4.4Å; V284-V335 CarbonylContact O-C 3.59Å; V284-V335 WeakPolarHBondContact O-CA 3.48Å; V284-A336 PolarHBondContact O-N 3.47Å; V284-V353 CarbonylContact C-O 3.59Å; V284-V353 WeakPolarHBondContact CA-O 3.3Å; V284-V353 HydrophobicContact CG2-CB 4.27Å |
| 285 | F | 95.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.6 | 179.5 | -76.5 | -75 | 0 | 0 | 0 | 112.2 | I283 A336 S341 V352 V353 Y355 D356 R367 R370 | I283-F285 HydrophobicContact CD1-CE1 3.93Å; I283-F285 HydrophobicContact CD1-CE2 3.82Å; I283-F285 HydrophobicContact CD1-CZ 3.43Å; I283-F285 VanDerWaalsContact CD1-CZ 3.43Å; I283-F285 HydrophobicContact CG1-CD2 4.4Å; I283-F285 HydrophobicContact CG1-CE1 4.48Å; I283-F285 HydrophobicContact CG1-CE2 4.02Å; I283-F285 HydrophobicContact CG1-CZ 4.07Å; I283-F285 HydrophobicContact CG2-CD2 4.27Å; I283-F285 HydrophobicContact CG2-CE2 3.74Å; I283-F285 HydrophobicContact CG2-CZ 4.44Å; F285-A336 WeakPolarHBondContact CA-O 3.47Å; F285-S341 WeakPolarHBondContact CE1-OG 3.41Å; F285-V352 HydrophobicContact CD2-CG1 3.86Å; F285-V352 HydrophobicContact CE2-CG1 3.85Å; F285-V353 PolarHBondContact N-O 2.78Å; F285-Y355 WeakPolarHBondContact O-CB 3.44Å; F285-Y355 PolarHBondContact O-N 3.39Å; F285-Y355 VanDerWaalsContact O-N 3.16Å; F285-D356 PolarHBondContact O-N 3.1Å; F285-R367 HydrophobicContact CD1-CG 4.04Å; F285-R367 HydrophobicContact CD2-CB 3.74Å; F285-R367 HydrophobicContact CD2-CG 3.68Å; F285-R367 HydrophobicContact CE1-CG 4.03Å; F285-R367 HydrophobicContact CE2-CB 3.56Å; F285-R367 HydrophobicContact CE2-CG 3.67Å; F285-R367 HydrophobicContact CG-CB 4.42Å; F285-R367 HydrophobicContact CG-CG 3.86Å; F285-R367 HydrophobicContact CZ-CB 4.12Å; F285-R367 HydrophobicContact CZ-CG 3.84Å; F285-R370 HydrophobicContact CE2-CG 4.39Å; F285-R370 HydrophobicContact CZ-CG 4.17Å |
| 286 | T | 94.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 157.2 | 172.1 | 68 | 0 | 0 | 0 | 0 | 111 | T288 A291 S292 L295 V335 A336 T337 Y355 D356 | T286-T288 PolarHBondContact OG1-O 3.3Å; T286-A291 HydrophobicContact CG2-CB 4.32Å; T286-S292 WeakPolarHBondContact OG1-CB 3.41Å; T286-S292 PolarHBondContact OG1-N 3.03Å; T286-L295 HydrophobicContact CG2-CD1 3.47Å; T286-L295 VanDerWaalsContact CG2-CD1 3.47Å; T286-V335 HydrophobicContact CG2-CG1 3.84Å; T286-A336 PolarHBondContact N-O 3.42Å; T286-T337 WeakPolarHBondContact O-CA 3.11Å; T286-Y355 HydrophobicContact CG2-CD1 4.14Å; T286-D356 VanDerWaalsContact CA-OD2 3.25Å; T286-D356 WeakPolarHBondContact CA-OD2 3.2Å |
| 287 | R | 88.9 | Confident | 86.5 | Confident | 67 Ų | 67 | 29.4 Ų | 29.4 | 25% | 0.253 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -75.4 | -52.4 | 177.9 | -172.9 | 174.9 | -64.7 | 159.9 | 2.3 | 111.3 | D356 V357 L468 | R287-D356 HydrophobicContact CB-CB 3.94Å; R287-D356 PolarHBondContact N-OD2 3.28Å; R287-V357 PolarHBondContact NH2-O 2.84Å; R287-V357 VanDerWaalsContact NH2-O 3.08Å; R287-L468 WeakPolarHBondContact CD-O 3.32Å |
| 288 | T | 88.1 | Confident | 88.8 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -105 | 157.8 | -172.5 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | T286 V290 A291 S292 T337 | T286-T288 PolarHBondContact OG1-O 3.3Å; T288-V290 PolarHBondContact O-N 2.94Å; T288-A291 PolarHBondContact O-N 3.44Å; T288-A291 WeakPolarHBondContact OG1-CB 3.41Å; T288-A291 PolarHBondContact OG1-N 3.33Å; T288-A291 VanDerWaalsContact OG1-N 3.13Å; T288-S292 PolarHBondContact O-N 2.96Å; T288-S292 VanDerWaalsContact O-N 3.09Å; T288-T337 WeakPolarHBondContact O-CG2 3.15Å |
| 289 | R | 87.8 | Confident | 90.9 | Very high | 48 Ų | 48 | 19 Ų | 19 | 18% | 0.181 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.1 | -30.7 | 174 | -49 | 178.3 | -166.2 | 157.7 | 12.6 | 111.6 | S292 N293 N311 D313 F462 | R289-S292 PolarHBondContact O-N 3.26Å; R289-N293 PolarHBondContact O-N 3.07Å; R289-N293 PolarHBondContact O-ND2 3.01Å; R289-N311 HydrophobicContact CB-CB 4.13Å; R289-N311 HydrophobicContact CG-CB 4.19Å; R289-D313 WeakPolarHBondContact CB-OD2 3.21Å; R289-D313 WeakPolarHBondContact CD-OD1 3.25Å; R289-D313 IonicContact CZ-OD1 2.65Å; R289-D313 IonicContact NE-OD1 3.08Å; R289-D313 IonicContact NH1-OD1 3.42Å; R289-D313 PolarHBondContact NH1-OD1 3.26Å; R289-F462 PolarHBondContact NH1-O 3.47Å; R289-F462 PolarHBondContact NH2-O 3.27Å |
| 290 | V | 88.9 | Confident | 92.4 | Very high | 40 Ų | 40 | 22.8 Ų | 22.8 | 24% | 0.242 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -52.1 | 176.4 | -153.7 | 0 | 0 | 0 | 0 | 109.9 | T288 S292 N293 R294 V447 | T288-V290 PolarHBondContact O-N 2.94Å; V290-S292 VanDerWaalsContact C-N 3.32Å; V290-S292 PolarHBondContact O-N 3.2Å; V290-N293 PolarHBondContact O-N 2.96Å; V290-R294 VanDerWaalsContact O-CB 3.29Å; V290-R294 WeakPolarHBondContact O-CB 3.39Å; V290-R294 PolarHBondContact O-N 3.48Å; V290-V447 HydrophobicContact CG1-CG1 3.75Å |
| 291 | A | 91.2 | Very high | 93.1 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 8% | 0.083 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T286 T288 N293 R294 L295 | T286-A291 HydrophobicContact CG2-CB 4.32Å; T288-A291 PolarHBondContact O-N 3.44Å; T288-A291 WeakPolarHBondContact OG1-CB 3.41Å; T288-A291 PolarHBondContact OG1-N 3.33Å; T288-A291 VanDerWaalsContact OG1-N 3.13Å; A291-N293 PolarHBondContact O-N 2.87Å; A291-R294 PolarHBondContact O-N 3.17Å; A291-L295 VanDerWaalsContact O-CB 3.3Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 WeakPolarHBondContact O-CG 3.39Å; A291-L295 PolarHBondContact O-N 3.21Å |
| 292 | S | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | T286 T288 R289 V290 N296 N311 V335 | T286-S292 WeakPolarHBondContact OG1-CB 3.41Å; T286-S292 PolarHBondContact OG1-N 3.03Å; T288-S292 PolarHBondContact O-N 2.96Å; T288-S292 VanDerWaalsContact O-N 3.09Å; R289-S292 PolarHBondContact O-N 3.26Å; V290-S292 VanDerWaalsContact C-N 3.32Å; V290-S292 PolarHBondContact O-N 3.2Å; S292-N296 VanDerWaalsContact O-CB 3.3Å; S292-N296 WeakPolarHBondContact O-CB 3.28Å; S292-N296 PolarHBondContact O-N 3.24Å; S292-N311 PolarHBondContact OG-ND2 3.35Å; S292-V335 PolarHBondContact OG-O 3.31Å |
| 293 | N | 92.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 179.1 | -73.1 | -32.9 | 0 | 0 | 0 | 112.1 | R289 V290 A291 N296 L297 N311 V447 | R289-N293 PolarHBondContact O-N 3.07Å; R289-N293 PolarHBondContact O-ND2 3.01Å; V290-N293 PolarHBondContact O-N 2.96Å; A291-N293 PolarHBondContact O-N 2.87Å; N293-N296 PolarHBondContact O-N 2.81Å; N293-L297 PolarHBondContact O-N 2.95Å; N293-L297 VanDerWaalsContact O-N 3.14Å; N293-N311 PolarHBondContact OD1-ND2 2.96Å; N293-V447 HydrophobicContact CB-CG2 3.93Å |
| 294 | R | 94.3 | Very high | 93 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 6% | 0.057 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 177.7 | -176.7 | -166.5 | 71.4 | 80.7 | -4.6 | 111.2 | D237 V290 A291 N296 L297 L298 Y355 S440 A443 N444 V447 | D237-R294 VanDerWaalsContact CG-NH1 3.3Å; D237-R294 IonicContact OD1-CZ 3.48Å; D237-R294 IonicContact OD1-NH1 3.47Å; D237-R294 PolarHBondContact OD1-NH1 2.86Å; D237-R294 IonicContact OD1-NH2 2.6Å; D237-R294 PolarHBondContact OD1-NH2 3.38Å; D237-R294 IonicContact OD2-CZ 3.47Å; D237-R294 IonicContact OD2-NH1 2.67Å; D237-R294 PolarHBondContact OD2-NH1 3.35Å; D237-R294 IonicContact OD2-NH2 3.54Å; D237-R294 PolarHBondContact OD2-NH2 3.18Å; V290-R294 VanDerWaalsContact O-CB 3.29Å; V290-R294 WeakPolarHBondContact O-CB 3.39Å; V290-R294 PolarHBondContact O-N 3.48Å; A291-R294 PolarHBondContact O-N 3.17Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 2.78Å; R294-L297 PolarHBondContact O-N 2.89Å; R294-L297 VanDerWaalsContact O-N 3.12Å; R294-L298 PolarHBondContact O-N 2.96Å; R294-Y355 PolarHBondContact NH2-OH 2.62Å; R294-S440 PolarHBondContact NH1-OG 3.12Å; R294-A443 HydrophobicContact CG-CB 4.02Å; R294-N444 WeakPolarHBondContact CD-OD1 3.19Å; R294-N444 WeakPolarHBondContact CG-OD1 3.45Å; R294-V447 HydrophobicContact CB-CG2 4.22Å |
| 295 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 178 | -74.2 | -173.9 | 0 | 0 | 0 | 111.8 | D237 L240 T286 A291 L297 L298 L299 V335 Y355 | D237-L295 WeakPolarHBondContact OD1-CD2 3.39Å; L240-L295 HydrophobicContact CD2-CD1 3.87Å; L240-L295 HydrophobicContact CD2-CD2 3.95Å; T286-L295 HydrophobicContact CG2-CD1 3.47Å; T286-L295 VanDerWaalsContact CG2-CD1 3.47Å; A291-L295 VanDerWaalsContact O-CB 3.3Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 WeakPolarHBondContact O-CG 3.39Å; A291-L295 PolarHBondContact O-N 3.21Å; L295-L297 VanDerWaalsContact C-N 3.28Å; L295-L297 PolarHBondContact O-N 2.85Å; L295-L298 HydrophobicContact CD2-CD2 3.96Å; L295-L298 PolarHBondContact O-N 2.65Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 VanDerWaalsContact O-CG 3.22Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.03Å; L295-V335 HydrophobicContact CB-CG1 4.03Å; L295-V335 HydrophobicContact CD1-CG1 4.44Å; L295-Y355 HydrophobicContact CD1-CD1 3.85Å; L295-Y355 HydrophobicContact CD1-CD2 3.88Å; L295-Y355 HydrophobicContact CD1-CE1 4.02Å; L295-Y355 HydrophobicContact CD1-CE2 3.97Å; L295-Y355 HydrophobicContact CD1-CG 3.79Å; L295-Y355 HydrophobicContact CD2-CE2 4.09Å |
| 296 | N | 94.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -35.1 | 174.9 | 167.3 | 74.2 | 0 | 0 | 0 | 112.7 | S292 N293 R294 R300 V307 A309 | S292-N296 VanDerWaalsContact O-CB 3.3Å; S292-N296 WeakPolarHBondContact O-CB 3.28Å; S292-N296 PolarHBondContact O-N 3.24Å; N293-N296 PolarHBondContact O-N 2.81Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 2.78Å; N296-R300 WeakPolarHBondContact O-CD 3.42Å; N296-R300 WeakPolarHBondContact O-CG 3.33Å; N296-R300 PolarHBondContact O-NE 3.15Å; N296-R300 PolarHBondContact OD1-NE 2.96Å; N296-R300 VanDerWaalsContact OD1-NE 3.1Å; N296-R300 PolarHBondContact OD1-NH2 3.34Å; N296-V307 HydrophobicContact CB-CG1 4.38Å; N296-A309 HydrophobicContact CB-CB 3.78Å; N296-A309 PolarHBondContact OD1-N 3.22Å |
| 297 | L | 94.2 | Very high | 92.6 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.4 | -43.1 | 173.9 | -67 | 178.1 | 0 | 0 | 0 | 112 | N293 R294 L295 A443 A446 V447 M450 | N293-L297 PolarHBondContact O-N 2.95Å; N293-L297 VanDerWaalsContact O-N 3.14Å; R294-L297 PolarHBondContact O-N 2.89Å; R294-L297 VanDerWaalsContact O-N 3.12Å; L295-L297 VanDerWaalsContact C-N 3.28Å; L295-L297 PolarHBondContact O-N 2.85Å; L297-A443 HydrophobicContact CB-CB 3.89Å; L297-A446 HydrophobicContact CD1-CB 3.69Å; L297-V447 HydrophobicContact CD1-CG2 4.11Å; L297-M450 HydrophobicContact CD1-CE 4.12Å |
| 298 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -56.3 | 178.9 | 174.6 | 66.1 | 0 | 0 | 0 | 111.5 | D237 R294 L295 R300 Q301 F302 V436 A439 | D237-L298 HydrophobicContact CB-CD2 3.83Å; R294-L298 PolarHBondContact O-N 2.96Å; L295-L298 HydrophobicContact CD2-CD2 3.96Å; L295-L298 PolarHBondContact O-N 2.65Å; L298-R300 PolarHBondContact O-N 2.7Å; L298-Q301 WeakPolarHBondContact O-CB 3.31Å; L298-Q301 PolarHBondContact O-N 3.42Å; L298-F302 HydrophobicContact CD1-CD2 4.16Å; L298-F302 HydrophobicContact CD1-CE2 3.72Å; L298-F302 WeakPolarHBondContact O-CD2 3.44Å; L298-V436 HydrophobicContact CD1-CG1 4.33Å; L298-V436 HydrophobicContact CD2-CG1 4.44Å; L298-A439 HydrophobicContact CD1-CB 3.53Å |
| 299 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -29.3 | -173.4 | -67.5 | 178.5 | 0 | 0 | 0 | 112.6 | L240 V241 L244 L295 Q301 F302 L303 V307 V333 V335 | L240-L299 HydrophobicContact CD2-CD1 4.27Å; L240-L299 HydrophobicContact CD2-CD2 4.07Å; L240-L299 HydrophobicContact CG-CD2 4.28Å; V241-L299 HydrophobicContact CG2-CD2 3.81Å; L244-L299 HydrophobicContact CD1-CD1 3.81Å; L244-L299 HydrophobicContact CD1-CD2 3.77Å; L244-L299 HydrophobicContact CD1-CG 4.43Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 VanDerWaalsContact O-CG 3.22Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.03Å; L299-Q301 PolarHBondContact O-N 3.33Å; L299-F302 PolarHBondContact O-N 3.48Å; L299-F302 VanDerWaalsContact O-N 3.13Å; L299-L303 HydrophobicContact CB-CD1 4.07Å; L299-L303 HydrophobicContact CB-CG 4.47Å; L299-L303 HydrophobicContact CD2-CD1 4.29Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.36Å; L299-V307 HydrophobicContact CB-CG1 4.09Å; L299-V307 HydrophobicContact CB-CG2 3.79Å; L299-V307 HydrophobicContact CD1-CG1 4.26Å; L299-V333 HydrophobicContact CD1-CG1 4.33Å; L299-V335 HydrophobicContact CD1-CG2 3.84Å |
| 300 | R | 95.4 | Very high | 93.2 | Very high | 118 Ų | 118 | 35.8 Ų | 35.8 | 45% | 0.445 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -23.6 | 174.6 | -74.7 | 168 | -170.9 | -88.3 | -2 | 113.6 | N296 L298 V307 | N296-R300 WeakPolarHBondContact O-CD 3.42Å; N296-R300 WeakPolarHBondContact O-CG 3.33Å; N296-R300 PolarHBondContact O-NE 3.15Å; N296-R300 PolarHBondContact OD1-NE 2.96Å; N296-R300 VanDerWaalsContact OD1-NE 3.1Å; N296-R300 PolarHBondContact OD1-NH2 3.34Å; L298-R300 PolarHBondContact O-N 2.7Å; R300-V307 HydrophobicContact CG-CB 3.93Å; R300-V307 HydrophobicContact CG-CG2 4.13Å; R300-V307 PolarHBondContact NH2-O 2.97Å |
| 301 | Q | 94.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 33.9 Ų | 33.9 | 41% | 0.411 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -80.1 | -22.6 | 178 | -59.1 | -171.6 | 12.4 | 0 | 0 | 112.3 | L298 L299 R442 | L298-Q301 WeakPolarHBondContact O-CB 3.31Å; L298-Q301 PolarHBondContact O-N 3.42Å; L299-Q301 PolarHBondContact O-N 3.33Å; Q301-R442 VanDerWaalsContact OE1-NH2 3.16Å |
| 302 | F | 94.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -116.7 | -16.6 | -172.4 | -64.4 | -81.9 | 0 | 0 | 0 | 114.6 | V241 L298 L299 L432 V436 A439 | V241-F302 HydrophobicContact CG1-CB 3.45Å; V241-F302 VanDerWaalsContact CG1-CB 3.45Å; V241-F302 HydrophobicContact CG1-CD1 4.14Å; V241-F302 HydrophobicContact CG1-CD2 4.38Å; V241-F302 HydrophobicContact CG1-CG 3.74Å; V241-F302 HydrophobicContact CG2-CB 4.37Å; V241-F302 HydrophobicContact CG2-CD2 4.18Å; V241-F302 HydrophobicContact CG2-CG 4.35Å; L298-F302 HydrophobicContact CD1-CD2 4.16Å; L298-F302 HydrophobicContact CD1-CE2 3.72Å; L298-F302 WeakPolarHBondContact O-CD2 3.44Å; L299-F302 PolarHBondContact O-N 3.48Å; L299-F302 VanDerWaalsContact O-N 3.13Å; F302-L432 HydrophobicContact CD1-CD1 4.04Å; F302-L432 HydrophobicContact CE1-CD1 4.06Å; F302-V436 HydrophobicContact CD1-CG2 4.34Å; F302-V436 HydrophobicContact CD2-CG2 4.37Å; F302-V436 HydrophobicContact CE1-CG2 3.87Å; F302-V436 HydrophobicContact CE2-CG2 3.91Å; F302-V436 HydrophobicContact CZ-CB 4.31Å; F302-V436 HydrophobicContact CZ-CG2 3.65Å; F302-A439 HydrophobicContact CE2-CB 3.5Å; F302-A439 HydrophobicContact CZ-CB 3.86Å |
| 303 | L | 92.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | trans | -108.8 | 137.6 | 179.4 | -56.1 | -176.8 | 0 | 0 | 0 | 110.5 | L244 R245 L248 L299 Q305 V307 V333 | L244-L303 HydrophobicContact CB-CD1 4.04Å; L244-L303 HydrophobicContact CB-CD2 3.98Å; L244-L303 HydrophobicContact CD1-CD1 3.91Å; R245-L303 HydrophobicContact CG-CD2 3.7Å; L248-L303 HydrophobicContact CD1-CD1 4.26Å; L299-L303 HydrophobicContact CB-CD1 4.07Å; L299-L303 HydrophobicContact CB-CG 4.47Å; L299-L303 HydrophobicContact CD2-CD1 4.29Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.36Å; L303-Q305 VanDerWaalsContact C-N 3.31Å; L303-V307 HydrophobicContact CB-CG2 4.47Å; L303-V307 HydrophobicContact CD1-CG2 4.22Å; L303-V333 HydrophobicContact CD1-CG2 3.92Å | ||
| 304 | R | 88.6 | Confident | 91.1 | Very high | 202 Ų | 202 | 37.3 Ų | 37.3 | 76% | 0.762 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -74.2 | -28.5 | 173.5 | -64.5 | 179.8 | 179.5 | 167.5 | -1.2 | 111.5 | E251 | E251-R304 IonicContact OE1-NH1 2.8Å; E251-R304 PolarHBondContact OE1-NH1 2.85Å |
| 305 | Q | 89.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -76.4 | 149.3 | -175.8 | -65.7 | 76.2 | 8.8 | 0 | 0 | 111.3 | L248 L303 V307 G331 | L248-Q305 HydrophobicContact CD2-CG 4.4Å; L248-Q305 PolarHBondContact O-NE2 2.99Å; L303-Q305 VanDerWaalsContact C-N 3.31Å; Q305-V307 PolarHBondContact O-N 2.82Å; Q305-V307 VanDerWaalsContact O-N 3.13Å; Q305-G331 VanDerWaalsContact CB-O 3.25Å; Q305-G331 WeakPolarHBondContact CB-O 3.03Å; Q305-G331 WeakPolarHBondContact CG-O 3.42Å |
| 306 | P | 92.6 | Very high | 89.3 | Confident | 53 Ų | 53 | 43 Ų | 43 | 34% | 0.344 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 119.2 | 176.5 | -27.3 | 39.5 | 0 | 0 | 0 | 111.9 | T329 A332 V333 | P306-T329 HydrophobicContact CB-CG2 4Å; P306-T329 HydrophobicContact CG-CG2 3.61Å; P306-A332 WeakPolarHBondContact O-CA 3.3Å; P306-V333 PolarHBondContact O-N 3.23Å |
| 307 | V | 95.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.8 | 169.1 | -170 | 0 | 0 | 0 | 0 | 108.6 | N296 L299 R300 L303 Q305 V333 V335 | N296-V307 HydrophobicContact CB-CG1 4.38Å; L299-V307 HydrophobicContact CB-CG1 4.09Å; L299-V307 HydrophobicContact CB-CG2 3.79Å; L299-V307 HydrophobicContact CD1-CG1 4.26Å; R300-V307 HydrophobicContact CG-CB 3.93Å; R300-V307 HydrophobicContact CG-CG2 4.13Å; R300-V307 PolarHBondContact NH2-O 2.97Å; L303-V307 HydrophobicContact CB-CG2 4.47Å; L303-V307 HydrophobicContact CD1-CG2 4.22Å; Q305-V307 PolarHBondContact O-N 2.82Å; Q305-V307 VanDerWaalsContact O-N 3.13Å; V307-V333 CarbonylContact C-O 3.58Å; V307-V333 WeakPolarHBondContact CA-O 3.37Å; V307-V333 HydrophobicContact CG1-CB 4.41Å; V307-V333 HydrophobicContact CG2-CB 4.38Å; V307-V335 HydrophobicContact CG1-CG2 3.78Å |
| 308 | I | 93.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 125.3 | -177.1 | -58.6 | 170.6 | 0 | 0 | 0 | 107.8 | A322 K325 F326 A332 V333 L334 V335 | I308-A322 HydrophobicContact CG2-CB 3.77Å; I308-K325 HydrophobicContact CD1-CB 4.05Å; I308-K325 HydrophobicContact CD1-CD 4.04Å; I308-K325 HydrophobicContact CD1-CG 3.74Å; I308-K325 HydrophobicContact CG1-CD 4.31Å; I308-F326 HydrophobicContact CD1-CB 3.81Å; I308-F326 HydrophobicContact CD1-CD2 4.35Å; I308-A332 HydrophobicContact CD1-CB 4.37Å; I308-V333 PolarHBondContact N-O 2.83Å; I308-L334 HydrophobicContact CB-CD1 4.13Å; I308-L334 HydrophobicContact CG2-CD1 3.94Å; I308-L334 CarbonylContact O-C 3.59Å; I308-L334 WeakPolarHBondContact O-CA 3.4Å; I308-V335 PolarHBondContact O-N 2.79Å |
| 309 | A | 92.5 | Very high | 87.5 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 146.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N296 V335 | N296-A309 HydrophobicContact CB-CB 3.78Å; N296-A309 PolarHBondContact OD1-N 3.22Å; A309-V335 CarbonylContact C-O 3.51Å; A309-V335 WeakPolarHBondContact CA-O 3.26Å |
| 310 | L | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 98.9 | 171.8 | -174.4 | 125.2 | 0 | 0 | 0 | 109.9 | A322 L323 L334 V335 A336 T337 A340 L344 | L310-A322 HydrophobicContact CD1-CB 4.48Å; L310-L323 HydrophobicContact CD1-CB 4.48Å; L310-L334 HydrophobicContact CB-CD1 3.77Å; L310-L334 HydrophobicContact CB-CG 4.42Å; L310-V335 PolarHBondContact N-O 2.77Å; L310-A336 HydrophobicContact CB-CB 4.25Å; L310-A336 HydrophobicContact CD2-CB 4.04Å; L310-A336 VanDerWaalsContact O-CA 3.26Å; L310-A336 WeakPolarHBondContact O-CA 3.41Å; L310-T337 PolarHBondContact O-N 3.25Å; L310-A340 VanDerWaalsContact CD2-C 3.4Å; L310-A340 HydrophobicContact CD2-CB 3.52Å; L310-A340 VanDerWaalsContact CD2-O 3.31Å; L310-A340 WeakPolarHBondContact CD2-O 3.35Å; L310-A340 HydrophobicContact CG-CB 4.16Å; L310-A340 WeakPolarHBondContact O-CB 3.49Å; L310-L344 HydrophobicContact CD1-CD1 3.69Å; L310-L344 HydrophobicContact CD2-CD1 3.5Å; L310-L344 HydrophobicContact CG-CD1 4.19Å |
| 311 | N | 87.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -144.1 | 175.9 | -176.4 | 61.9 | 56.4 | 0 | 0 | 0 | 111.9 | R289 S292 N293 D313 M314 T337 A340 | R289-N311 HydrophobicContact CB-CB 4.13Å; R289-N311 HydrophobicContact CG-CB 4.19Å; S292-N311 PolarHBondContact OG-ND2 3.35Å; N293-N311 PolarHBondContact OD1-ND2 2.96Å; N311-D313 VanDerWaalsContact C-N 3.26Å; N311-D313 PolarHBondContact O-N 3.17Å; N311-D313 PolarHBondContact OD1-N 3.26Å; N311-D313 VanDerWaalsContact OD1-N 3.13Å; N311-M314 PolarHBondContact O-N 2.93Å; N311-T337 HydrophobicContact CB-CG2 4.07Å; N311-A340 VanDerWaalsContact CA-CB 3.5Å | ||
| 312 | G | 78.2 | Confident | 86 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | M314 | G312-M314 VanDerWaalsContact C-N 3.26Š|
| 313 | D | 78 | Confident | 85.6 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.9 | 177.2 | -65.8 | -18.6 | 0 | 0 | 0 | 111.6 | R289 N311 | R289-D313 WeakPolarHBondContact CB-OD2 3.21Å; R289-D313 WeakPolarHBondContact CD-OD1 3.25Å; R289-D313 IonicContact CZ-OD1 2.65Å; R289-D313 IonicContact NE-OD1 3.08Å; R289-D313 IonicContact NH1-OD1 3.42Å; R289-D313 PolarHBondContact NH1-OD1 3.26Å; N311-D313 VanDerWaalsContact C-N 3.26Å; N311-D313 PolarHBondContact O-N 3.17Å; N311-D313 PolarHBondContact OD1-N 3.26Å; N311-D313 VanDerWaalsContact OD1-N 3.13Å |
| 314 | M | 78.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -87.3 | 131.9 | 179.6 | -62.8 | 173.3 | 72.9 | 0 | 0 | 111.2 | N311 G312 Q318 R319 A322 | N311-M314 PolarHBondContact O-N 2.93Å; G312-M314 VanDerWaalsContact C-N 3.26Å; M314-Q318 HydrophobicContact CE-CB 4.28Å; M314-Q318 HydrophobicContact CE-CG 3.66Å; M314-R319 HydrophobicContact CB-CG 3.55Å; M314-R319 WeakPolarHBondContact O-CD 3.43Å; M314-A322 HydrophobicContact CE-CB 3.78Å |
| 315 | P | 79.3 | Confident | 85.3 | Confident | 85 Ų | 85 | 42.5 Ų | 42.5 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | trans | -55.8 | 153.2 | 168.4 | -25.2 | 35.2 | 0 | 0 | 0 | 112.3 | A317 Q318 R319 | P315-A317 VanDerWaalsContact C-N 3.33Å; P315-A317 PolarHBondContact O-N 2.93Å; P315-Q318 VanDerWaalsContact CD-OE1 3.29Å; P315-Q318 WeakPolarHBondContact O-CA 3.3Å; P315-Q318 WeakPolarHBondContact O-CB 3.46Å; P315-Q318 PolarHBondContact O-N 3.31Å; P315-R319 PolarHBondContact O-N 3.2Å | ||
| 316 | Q | 72.3 | Confident | 85.3 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.1 | -46.9 | -175.1 | -169 | 64.4 | 17.8 | 0 | 0 | 113.4 | E84 Q318 R319 L320 | E84-Q316 PolarHBondContact OE1-NE2 2.95Å; E84-Q316 PolarHBondContact OE1-OE1 3.4Å; Q316-Q318 VanDerWaalsContact C-N 3.26Å; Q316-Q318 PolarHBondContact O-N 3.05Å; Q316-R319 PolarHBondContact O-N 2.78Å; Q316-L320 PolarHBondContact O-N 2.95Å |
| 317 | A | 78.9 | Confident | 85 | Confident | 81 Ų | 81 | 42 Ų | 42 | 67% | 0.669 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.1 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P315 G321 | P315-A317 VanDerWaalsContact C-N 3.33Å; P315-A317 PolarHBondContact O-N 2.93Å; A317-G321 PolarHBondContact O-N 2.99Å |
| 318 | Q | 85.5 | Confident | 84.6 | Confident | 109 Ų | 109 | 52.7 Ų | 52.7 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 177 | -161.9 | -173.2 | 4.2 | 0 | 0 | 111.8 | M314 P315 Q316 G321 A322 | M314-Q318 HydrophobicContact CE-CB 4.28Å; M314-Q318 HydrophobicContact CE-CG 3.66Å; P315-Q318 VanDerWaalsContact CD-OE1 3.29Å; P315-Q318 WeakPolarHBondContact O-CA 3.3Å; P315-Q318 WeakPolarHBondContact O-CB 3.46Å; P315-Q318 PolarHBondContact O-N 3.31Å; Q316-Q318 VanDerWaalsContact C-N 3.26Å; Q316-Q318 PolarHBondContact O-N 3.05Å; Q318-G321 PolarHBondContact O-N 3.47Å; Q318-A322 VanDerWaalsContact O-CB 3.28Å; Q318-A322 WeakPolarHBondContact O-CB 3.29Å; Q318-A322 PolarHBondContact O-N 3.47Å |
| 319 | R | 82.6 | Confident | 84.3 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.4 | -70.5 | 179.2 | 63.6 | -155.7 | -7.6 | 111.6 | E84 M314 P315 Q316 A322 L323 A340 | E84-R319 VanDerWaalsContact CD-NH1 3.26Å; E84-R319 IonicContact OE1-CZ 3.01Å; E84-R319 IonicContact OE1-NE 3.59Å; E84-R319 IonicContact OE1-NH1 3.87Å; E84-R319 PolarHBondContact OE1-NH1 3.31Å; E84-R319 IonicContact OE1-NH2 2.82Å; E84-R319 PolarHBondContact OE1-NH2 3.31Å; E84-R319 IonicContact OE2-CZ 3.85Å; E84-R319 IonicContact OE2-NH1 2.69Å; E84-R319 IonicContact OE2-NH2 2.82Å; E84-R319 PolarHBondContact OE2-NH2 3.08Å; M314-R319 HydrophobicContact CB-CG 3.55Å; M314-R319 WeakPolarHBondContact O-CD 3.43Å; P315-R319 PolarHBondContact O-N 3.2Å; Q316-R319 PolarHBondContact O-N 2.78Å; R319-A322 PolarHBondContact O-N 2.86Å; R319-L323 PolarHBondContact O-N 2.88Å; R319-A340 VanDerWaalsContact NH2-CA 3.31Å; R319-A340 PolarHBondContact NH2-O 3.43Å |
| 320 | L | 81.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 174.1 | -69.6 | 173.7 | 0 | 0 | 0 | 111 | Q316 A322 L323 H324 | Q316-L320 PolarHBondContact O-N 2.95Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 3.18Å; L320-L323 PolarHBondContact O-N 3.24Å; L320-H324 PolarHBondContact O-CD2 3.05Å; L320-H324 PolarHBondContact O-N 3.3Å |
| 321 | G | 86.4 | Confident | 83.7 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A317 Q318 H324 K325 | A317-G321 PolarHBondContact O-N 2.99Å; Q318-G321 PolarHBondContact O-N 3.47Å; G321-H324 PolarHBondContact O-N 3.3Å; G321-K325 WeakPolarHBondContact O-CB 3.46Å; G321-K325 PolarHBondContact O-N 2.74Å |
| 322 | A | 87.4 | Confident | 83.9 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I308 L310 M314 Q318 R319 L320 K325 F326 | I308-A322 HydrophobicContact CG2-CB 3.77Å; L310-A322 HydrophobicContact CD1-CB 4.48Å; M314-A322 HydrophobicContact CE-CB 3.78Å; Q318-A322 VanDerWaalsContact O-CB 3.28Å; Q318-A322 WeakPolarHBondContact O-CB 3.29Å; Q318-A322 PolarHBondContact O-N 3.47Å; R319-A322 PolarHBondContact O-N 2.86Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 3.18Å; A322-K325 PolarHBondContact O-N 3.14Å; A322-F326 WeakPolarHBondContact O-CB 3.46Å; A322-F326 PolarHBondContact O-N 3.08Å |
| 323 | L | 85.5 | Confident | 84.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.6 | 179.9 | 66.2 | 0 | 0 | 0 | 111.5 | L310 R319 L320 K325 F326 K327 L344 I346 | L310-L323 HydrophobicContact CD1-CB 4.48Å; R319-L323 PolarHBondContact O-N 2.88Å; L320-L323 PolarHBondContact O-N 3.24Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 2.71Å; L323-F326 PolarHBondContact O-N 3.34Å; L323-K327 HydrophobicContact CD1-CG 4.41Å; L323-K327 HydrophobicContact CG-CD 4.29Å; L323-K327 HydrophobicContact CG-CG 4.47Å; L323-K327 WeakPolarHBondContact O-CB 3.33Å; L323-K327 WeakPolarHBondContact O-CG 3.38Å; L323-K327 PolarHBondContact O-N 2.91Å; L323-L344 HydrophobicContact CD2-CB 4.29Å; L323-L344 HydrophobicContact CD2-CD2 3.61Å; L323-L344 HydrophobicContact CD2-CG 4.4Å; L323-I346 HydrophobicContact CD1-CG1 4.09Å |
| 324 | H | 86.8 | Confident | 85.5 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.6 | -80.4 | -70.6 | 0 | 0 | 0 | 111.8 | L320 G321 K327 R328 | L320-H324 PolarHBondContact O-CD2 3.05Å; L320-H324 PolarHBondContact O-N 3.3Å; G321-H324 PolarHBondContact O-N 3.3Å; H324-K327 PolarHBondContact O-N 3.34Å; H324-R328 WeakPolarHBondContact O-CG 3.14Å; H324-R328 PolarHBondContact O-N 2.99Å |
| 325 | K | 89.7 | Confident | 86.3 | Confident | 106 Ų | 106 | 53.9 Ų | 53.9 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 173.5 | -172.8 | 178 | 178.9 | 169.7 | 0 | 110.7 | I308 G321 A322 L323 K327 R328 T329 | I308-K325 HydrophobicContact CD1-CB 4.05Å; I308-K325 HydrophobicContact CD1-CD 4.04Å; I308-K325 HydrophobicContact CD1-CG 3.74Å; I308-K325 HydrophobicContact CG1-CD 4.31Å; G321-K325 WeakPolarHBondContact O-CB 3.46Å; G321-K325 PolarHBondContact O-N 2.74Å; A322-K325 PolarHBondContact O-N 3.14Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 2.71Å; K325-K327 VanDerWaalsContact C-N 3.35Å; K325-K327 PolarHBondContact O-N 2.81Å; K325-R328 PolarHBondContact O-N 3.39Å; K325-T329 WeakPolarHBondContact O-CB 3.3Å; K325-T329 PolarHBondContact O-N 3.22Å; K325-T329 PolarHBondContact O-OG1 3.12Å |
| 326 | F | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 177.3 | -179.6 | -109.5 | 0 | 0 | 0 | 112.8 | S281 I308 A322 L323 R328 A332 L334 I346 P347 V349 | S281-F326 VanDerWaalsContact CB-CZ 3.48Å; I308-F326 HydrophobicContact CD1-CB 3.81Å; I308-F326 HydrophobicContact CD1-CD2 4.35Å; A322-F326 WeakPolarHBondContact O-CB 3.46Å; A322-F326 PolarHBondContact O-N 3.08Å; L323-F326 PolarHBondContact O-N 3.34Å; F326-R328 VanDerWaalsContact C-N 3.33Å; F326-R328 PolarHBondContact O-N 3.3Å; F326-A332 HydrophobicContact CD2-CB 3.68Å; F326-A332 HydrophobicContact CE2-CB 3.99Å; F326-A332 WeakPolarHBondContact CE2-O 3.32Å; F326-L334 HydrophobicContact CB-CD1 4.38Å; F326-L334 HydrophobicContact CD1-CB 4.43Å; F326-L334 HydrophobicContact CD1-CD2 4.08Å; F326-L334 HydrophobicContact CD2-CB 3.64Å; F326-L334 HydrophobicContact CD2-CD1 4.44Å; F326-L334 HydrophobicContact CD2-CG 4.47Å; F326-L334 HydrophobicContact CE1-CB 4.29Å; F326-L334 HydrophobicContact CE1-CD2 4.17Å; F326-L334 HydrophobicContact CE2-CB 3.47Å; F326-L334 VanDerWaalsContact CE2-CB 3.47Å; F326-L334 HydrophobicContact CG-CB 4.11Å; F326-L334 HydrophobicContact CG-CD1 4.31Å; F326-L334 HydrophobicContact CG-CD2 4.32Å; F326-L334 HydrophobicContact CG-CG 4.5Å; F326-L334 HydrophobicContact CZ-CB 3.81Å; F326-L334 HydrophobicContact CZ-CD2 4.48Å; F326-I346 HydrophobicContact CD1-CG2 4.31Å; F326-I346 HydrophobicContact CE1-CG2 3.73Å; F326-P347 HydrophobicContact CD1-CG 3.88Å; F326-P347 HydrophobicContact CE1-CG 3.69Å; F326-V349 HydrophobicContact CE1-CG1 4.04Å; F326-V349 HydrophobicContact CZ-CG1 3.67Å |
| 327 | K | 85.5 | Confident | 87.8 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 177.4 | -78.3 | -177.2 | 174 | -163.2 | 0 | 113.4 | L323 H324 K325 D345 P347 | L323-K327 HydrophobicContact CD1-CG 4.41Å; L323-K327 HydrophobicContact CG-CD 4.29Å; L323-K327 HydrophobicContact CG-CG 4.47Å; L323-K327 WeakPolarHBondContact O-CB 3.33Å; L323-K327 WeakPolarHBondContact O-CG 3.38Å; L323-K327 PolarHBondContact O-N 2.91Å; H324-K327 PolarHBondContact O-N 3.34Å; K325-K327 VanDerWaalsContact C-N 3.35Å; K325-K327 PolarHBondContact O-N 2.81Å; K327-D345 WeakPolarHBondContact CE-O 3.37Å; K327-D345 PolarHBondContact NZ-O 3.13Å; K327-D345 IonicContact NZ-OD2 3.48Å; K327-D345 PolarHBondContact NZ-OD2 3.16Å; K327-P347 HydrophobicContact CG-CB 4.46Å; K327-P347 HydrophobicContact CG-CG 3.84Å |
| 328 | R | 87.5 | Confident | 87.9 | Confident | 223 Ų | 223 | 45.2 Ų | 45.2 | 84% | 0.842 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -87.1 | -22.6 | -177.9 | -69.3 | -180 | 71.9 | 170.2 | 2.8 | 113.3 | H324 K325 F326 | H324-R328 WeakPolarHBondContact O-CG 3.14Å; H324-R328 PolarHBondContact O-N 2.99Å; K325-R328 PolarHBondContact O-N 3.39Å; F326-R328 VanDerWaalsContact C-N 3.33Å; F326-R328 PolarHBondContact O-N 3.3Å |
| 329 | T | 87.3 | Confident | 87.1 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -95.5 | 112.1 | -177.5 | -58 | 0 | 0 | 0 | 0 | 110.9 | S281 P306 K325 A332 | S281-T329 PolarHBondContact OG-O 3.3Å; P306-T329 HydrophobicContact CB-CG2 4Å; P306-T329 HydrophobicContact CG-CG2 3.61Å; K325-T329 WeakPolarHBondContact O-CB 3.3Å; K325-T329 PolarHBondContact O-N 3.22Å; K325-T329 PolarHBondContact O-OG1 3.12Å; T329-A332 HydrophobicContact CG2-CB 3.79Å; T329-A332 WeakPolarHBondContact O-CB 3.34Å |
| 330 | Q | 83.5 | Confident | 86.3 | Confident | 119 Ų | 119 | 43.8 Ų | 43.8 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 142.9 | 172.6 | -64.7 | 175.8 | 9.1 | 0 | 0 | 110.9 | M278 A332 | M278-Q330 HydrophobicContact CE-CG 4.48Å; Q330-A332 PolarHBondContact O-N 2.8Å |
| 331 | G | 85.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 12.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S279 Q305 | S279-G331 PolarHBondContact O-N 3.11Å; Q305-G331 VanDerWaalsContact CB-O 3.25Å; Q305-G331 WeakPolarHBondContact CB-O 3.03Å; Q305-G331 WeakPolarHBondContact CG-O 3.42Å |
| 332 | A | 92.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -66.7 | 155.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S281 V282 P306 I308 F326 T329 Q330 | S281-A332 WeakPolarHBondContact CA-O 3.27Å; S281-A332 VanDerWaalsContact CB-O 3.31Å; S281-A332 WeakPolarHBondContact CB-O 3.32Å; V282-A332 PolarHBondContact N-O 2.8Å; P306-A332 WeakPolarHBondContact O-CA 3.3Å; I308-A332 HydrophobicContact CD1-CB 4.37Å; F326-A332 HydrophobicContact CD2-CB 3.68Å; F326-A332 HydrophobicContact CE2-CB 3.99Å; F326-A332 WeakPolarHBondContact CE2-O 3.32Å; T329-A332 HydrophobicContact CG2-CB 3.79Å; T329-A332 WeakPolarHBondContact O-CB 3.34Å; Q330-A332 PolarHBondContact O-N 2.8Å | ||
| 333 | V | 94.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | L244 L248 V282 V284 L299 L303 P306 V307 I308 V335 | L244-V333 HydrophobicContact CD1-CG1 4.35Å; L248-V333 HydrophobicContact CD1-CG2 3.45Å; L248-V333 VanDerWaalsContact CD1-CG2 3.45Å; V282-V333 HydrophobicContact CB-CG2 4.36Å; V282-V333 WeakPolarHBondContact O-CA 3.49Å; V284-V333 HydrophobicContact CG2-CG1 3.8Å; L299-V333 HydrophobicContact CD1-CG1 4.33Å; L303-V333 HydrophobicContact CD1-CG2 3.92Å; P306-V333 PolarHBondContact O-N 3.23Å; V307-V333 CarbonylContact C-O 3.58Å; V307-V333 WeakPolarHBondContact CA-O 3.37Å; V307-V333 HydrophobicContact CG1-CB 4.41Å; V307-V333 HydrophobicContact CG2-CB 4.38Å; I308-V333 PolarHBondContact N-O 2.83Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å |
| 334 | L | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.8 | 174.6 | -173.6 | 68.2 | 0 | 0 | 0 | 110.4 | V282 I283 V284 I308 L310 F326 A336 I346 | V282-L334 PolarHBondContact O-N 2.87Å; I283-L334 CarbonylContact C-O 3.49Å; I283-L334 WeakPolarHBondContact CA-O 3.37Å; I283-L334 HydrophobicContact CD1-CD2 4.01Å; I283-L334 HydrophobicContact CG1-CB 4.28Å; I283-L334 HydrophobicContact CG1-CD2 4.3Å; I283-L334 HydrophobicContact CG1-CG 4.48Å; V284-L334 PolarHBondContact N-O 2.96Å; I308-L334 HydrophobicContact CB-CD1 4.13Å; I308-L334 HydrophobicContact CG2-CD1 3.94Å; I308-L334 CarbonylContact O-C 3.59Å; I308-L334 WeakPolarHBondContact O-CA 3.4Å; L310-L334 HydrophobicContact CB-CD1 3.77Å; L310-L334 HydrophobicContact CB-CG 4.42Å; F326-L334 HydrophobicContact CB-CD1 4.38Å; F326-L334 HydrophobicContact CD1-CB 4.43Å; F326-L334 HydrophobicContact CD1-CD2 4.08Å; F326-L334 HydrophobicContact CD2-CB 3.64Å; F326-L334 HydrophobicContact CD2-CD1 4.44Å; F326-L334 HydrophobicContact CD2-CG 4.47Å; F326-L334 HydrophobicContact CE1-CB 4.29Å; F326-L334 HydrophobicContact CE1-CD2 4.17Å; F326-L334 HydrophobicContact CE2-CB 3.47Å; F326-L334 VanDerWaalsContact CE2-CB 3.47Å; F326-L334 HydrophobicContact CG-CB 4.11Å; F326-L334 HydrophobicContact CG-CD1 4.31Å; F326-L334 HydrophobicContact CG-CD2 4.32Å; F326-L334 HydrophobicContact CG-CG 4.5Å; F326-L334 HydrophobicContact CZ-CB 3.81Å; F326-L334 HydrophobicContact CZ-CD2 4.48Å; L334-A336 HydrophobicContact CD2-CB 4.49Å; L334-A336 HydrophobicContact CG-CB 4.3Å; L334-I346 HydrophobicContact CD2-CD1 4.1Å; L334-I346 HydrophobicContact CD2-CG2 4.31Å |
| 335 | V | 95.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 107.4 | 172.9 | -172.7 | 0 | 0 | 0 | 0 | 109 | V284 T286 S292 L295 L299 V307 I308 A309 L310 V333 | V284-V335 HydrophobicContact CB-CG2 4.4Å; V284-V335 CarbonylContact O-C 3.59Å; V284-V335 WeakPolarHBondContact O-CA 3.48Å; T286-V335 HydrophobicContact CG2-CG1 3.84Å; S292-V335 PolarHBondContact OG-O 3.31Å; L295-V335 HydrophobicContact CB-CG1 4.03Å; L295-V335 HydrophobicContact CD1-CG1 4.44Å; L299-V335 HydrophobicContact CD1-CG2 3.84Å; V307-V335 HydrophobicContact CG1-CG2 3.78Å; I308-V335 PolarHBondContact O-N 2.79Å; A309-V335 CarbonylContact C-O 3.51Å; A309-V335 WeakPolarHBondContact CA-O 3.26Å; L310-V335 PolarHBondContact N-O 2.77Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å |
| 336 | A | 92.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I283 V284 F285 T286 L310 L334 | I283-A336 HydrophobicContact CD1-CB 4.44Å; V284-A336 PolarHBondContact O-N 3.47Å; F285-A336 WeakPolarHBondContact CA-O 3.47Å; T286-A336 PolarHBondContact N-O 3.42Å; L310-A336 HydrophobicContact CB-CB 4.25Å; L310-A336 HydrophobicContact CD2-CB 4.04Å; L310-A336 VanDerWaalsContact O-CA 3.26Å; L310-A336 WeakPolarHBondContact O-CA 3.41Å; L334-A336 HydrophobicContact CD2-CB 4.49Å; L334-A336 HydrophobicContact CG-CB 4.3Å |
| 337 | T | 90.1 | Very high | 79.3 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 160.5 | 163.8 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | T286 T288 L310 N311 V339 A340 S341 | T286-T337 WeakPolarHBondContact O-CA 3.11Å; T288-T337 WeakPolarHBondContact O-CG2 3.15Å; L310-T337 PolarHBondContact O-N 3.25Å; N311-T337 HydrophobicContact CB-CG2 4.07Å; T337-V339 PolarHBondContact O-N 3.42Å; T337-A340 PolarHBondContact O-N 3.18Å; T337-A340 VanDerWaalsContact O-N 3.17Å; T337-A340 WeakPolarHBondContact OG1-CB 3.48Å; T337-A340 PolarHBondContact OG1-N 3.36Å; T337-S341 WeakPolarHBondContact O-CB 3.23Å; T337-S341 PolarHBondContact O-N 2.86Å; T337-S341 PolarHBondContact O-OG 3.17Å |
| 338 | D | 81.6 | Confident | 78.8 | Confident | 27 Ų | 27 | 37 Ų | 37 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.2 | -50.1 | 177.3 | -73.1 | -53.8 | 0 | 0 | 0 | 111.8 | A340 S341 R342 T363 R367 | D338-A340 PolarHBondContact O-N 2.76Å; D338-S341 PolarHBondContact O-N 2.88Å; D338-S341 PolarHBondContact O-OG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 2.95Å; D338-T363 WeakPolarHBondContact OD1-CG2 3.41Å; D338-R367 IonicContact OD1-CZ 2.71Å; D338-R367 IonicContact OD1-NE 3.39Å; D338-R367 PolarHBondContact OD1-NE 2.91Å; D338-R367 IonicContact OD1-NH2 2.84Å; D338-R367 IonicContact OD2-CZ 3.63Å; D338-R367 IonicContact OD2-NE 3.42Å; D338-R367 PolarHBondContact OD2-NE 3.48Å; D338-R367 IonicContact OD2-NH2 3.81Å; D338-R367 PolarHBondContact OD2-NH2 3.43Å |
| 339 | V | 69.1 | Low | 78.8 | Confident | 98 Ų | 98 | 26.4 Ų | 26.4 | 59% | 0.594 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -56.3 | -41.6 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | T337 | T337-V339 PolarHBondContact O-N 3.42Å |
| 340 | A | 64 | Low | 78.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.1 | -36.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L310 N311 R319 T337 D338 L344 | L310-A340 VanDerWaalsContact CD2-C 3.4Å; L310-A340 HydrophobicContact CD2-CB 3.52Å; L310-A340 VanDerWaalsContact CD2-O 3.31Å; L310-A340 WeakPolarHBondContact CD2-O 3.35Å; L310-A340 HydrophobicContact CG-CB 4.16Å; L310-A340 WeakPolarHBondContact O-CB 3.49Å; N311-A340 VanDerWaalsContact CA-CB 3.5Å; R319-A340 VanDerWaalsContact NH2-CA 3.31Å; R319-A340 PolarHBondContact NH2-O 3.43Å; T337-A340 PolarHBondContact O-N 3.18Å; T337-A340 VanDerWaalsContact O-N 3.17Å; T337-A340 WeakPolarHBondContact OG1-CB 3.48Å; T337-A340 PolarHBondContact OG1-N 3.36Å; D338-A340 PolarHBondContact O-N 2.76Å; A340-L344 WeakPolarHBondContact O-CD1 3.38Å |
| 341 | S | 62.5 | Low | 79.3 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -79.6 | -17.1 | 179.5 | 73.2 | 0 | 0 | 0 | 0 | 115 | F285 T337 D338 L344 R370 | F285-S341 WeakPolarHBondContact CE1-OG 3.41Å; T337-S341 WeakPolarHBondContact O-CB 3.23Å; T337-S341 PolarHBondContact O-N 2.86Å; T337-S341 PolarHBondContact O-OG 3.17Å; D338-S341 PolarHBondContact O-N 2.88Å; D338-S341 PolarHBondContact O-OG 3.28Å; S341-L344 PolarHBondContact O-N 2.78Å; S341-R370 PolarHBondContact O-NH2 2.91Å |
| 342 | R | 67.2 | Low | 79.7 | Confident | 84 Ų | 84 | 19.3 Ų | 19.3 | 32% | 0.317 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 136.3 | 178.8 | -81 | 170.6 | -172.5 | 179 | 3 | 110.5 | T82 D338 L344 | T82-R342 HydrophobicContact CG2-CB 4.16Å; T82-R342 PolarHBondContact OG1-O 3.41Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 2.95Å; R342-L344 PolarHBondContact O-N 3.16Å; R342-L344 VanDerWaalsContact O-N 3.11Å |
| 343 | G | 58.8 | Low | 79.9 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 1.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L85 Q88 | L85-G343 VanDerWaalsContact CA-O 3.26Å; L85-G343 WeakPolarHBondContact CA-O 3.46Å; L85-G343 PolarHBondContact N-O 3.41Å; Q88-G343 PolarHBondContact OE1-O 3.1Å; Q88-G343 VanDerWaalsContact OE1-O 3.04Å |
| 344 | L | 64.2 | Low | 79.9 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -87.8 | 123 | 167.3 | -68.4 | 173.3 | 0 | 0 | 0 | 109.6 | E84 L310 L323 A340 S341 R342 I346 R370 | E84-L344 HydrophobicContact CB-CD2 3.45Å; E84-L344 VanDerWaalsContact CB-CD2 3.45Å; E84-L344 HydrophobicContact CB-CG 3.88Å; E84-L344 HydrophobicContact CG-CD2 3.47Å; E84-L344 VanDerWaalsContact CG-CD2 3.47Å; E84-L344 HydrophobicContact CG-CG 3.86Å; L310-L344 HydrophobicContact CD1-CD1 3.69Å; L310-L344 HydrophobicContact CD2-CD1 3.5Å; L310-L344 HydrophobicContact CG-CD1 4.19Å; L323-L344 HydrophobicContact CD2-CB 4.29Å; L323-L344 HydrophobicContact CD2-CD2 3.61Å; L323-L344 HydrophobicContact CD2-CG 4.4Å; A340-L344 WeakPolarHBondContact O-CD1 3.38Å; S341-L344 PolarHBondContact O-N 2.78Å; R342-L344 PolarHBondContact O-N 3.16Å; R342-L344 VanDerWaalsContact O-N 3.11Å; L344-I346 HydrophobicContact CB-CD1 4.34Å; L344-I346 HydrophobicContact CB-CG1 3.79Å; L344-I346 PolarHBondContact O-N 2.86Å; L344-R370 PolarHBondContact O-NH1 2.92Å | ||
| 345 | D | 66.7 | Low | 80 | Confident | 80 Ų | 80 | 19.8 Ų | 19.8 | 43% | 0.428 | 11% | 0.107 | S | C | . | . | trans | -60.2 | 78.9 | 153 | 178.5 | 48 | 0 | 0 | 0 | 110.3 | Q88 K327 | Q88-D345 VanDerWaalsContact CD-N 3.33Å; Q88-D345 VanDerWaalsContact OE1-CB 3.27Å; K327-D345 WeakPolarHBondContact CE-O 3.37Å; K327-D345 PolarHBondContact NZ-O 3.13Å; K327-D345 IonicContact NZ-OD2 3.48Å; K327-D345 PolarHBondContact NZ-OD2 3.16Å | ||
| 346 | I | 72.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 130.7 | 169.9 | -59.9 | 175.9 | 0 | 0 | 0 | 106.6 | I283 L323 F326 L334 L344 | I283-I346 HydrophobicContact CD1-CD1 3.83Å; I283-I346 HydrophobicContact CD1-CG2 4.45Å; L323-I346 HydrophobicContact CD1-CG1 4.09Å; F326-I346 HydrophobicContact CD1-CG2 4.31Å; F326-I346 HydrophobicContact CE1-CG2 3.73Å; L334-I346 HydrophobicContact CD2-CD1 4.1Å; L334-I346 HydrophobicContact CD2-CG2 4.31Å; L344-I346 HydrophobicContact CB-CD1 4.34Å; L344-I346 HydrophobicContact CB-CG1 3.79Å; L344-I346 PolarHBondContact O-N 2.86Å |
| 347 | P | 69.4 | Low | 79.9 | Confident | 39 Ų | 39 | 20.2 Ų | 20.2 | 25% | 0.253 | 11% | 0.109 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 157.8 | 178.2 | 30 | -36.4 | 0 | 0 | 0 | 109.6 | F326 K327 V349 | F326-P347 HydrophobicContact CD1-CG 3.88Å; F326-P347 HydrophobicContact CE1-CG 3.69Å; K327-P347 HydrophobicContact CG-CB 4.46Å; K327-P347 HydrophobicContact CG-CG 3.84Å; P347-V349 PolarHBondContact O-N 3.39Å |
| 348 | Q | 75.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 20 Ų | 20 | 22% | 0.224 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 126.2 | 174.5 | -179.9 | 168.7 | 11.9 | 0 | 0 | 110.2 | R373 | Q348-R373 HydrophobicContact CG-CB 4.49Å; Q348-R373 PolarHBondContact NE2-O 3.29Å; Q348-R373 PolarHBondContact OE1-O 3.47Å; Q348-R373 VanDerWaalsContact OE1-O 3.14Å |
| 349 | V | 87.3 | Confident | 80 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -101.1 | 153.3 | 176 | -66.5 | 0 | 0 | 0 | 0 | 109.7 | S281 I283 F326 P347 V352 R370 T371 | S281-V349 WeakPolarHBondContact O-CA 3.33Å; S281-V349 VanDerWaalsContact O-CB 3.23Å; S281-V349 WeakPolarHBondContact O-CB 3.31Å; I283-V349 HydrophobicContact CB-CG1 4.42Å; I283-V349 HydrophobicContact CB-CG2 4.49Å; I283-V349 HydrophobicContact CG2-CG2 3.85Å; F326-V349 HydrophobicContact CE1-CG1 4.04Å; F326-V349 HydrophobicContact CZ-CG1 3.67Å; P347-V349 PolarHBondContact O-N 3.39Å; V349-V352 HydrophobicContact CG2-CG2 3.79Å; V349-R370 HydrophobicContact CG2-CB 4.14Å; V349-R370 PolarHBondContact N-O 3.15Å; V349-T371 WeakPolarHBondContact O-CA 3.3Å; V349-T371 WeakPolarHBondContact O-CB 3.3Å; V349-T371 PolarHBondContact O-OG1 2.83Å |
| 350 | G | 88.2 | Confident | 80.6 | Confident | 10 Ų | 10 | 21.2 Ų | 21.2 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -81.5 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L262 T280 S281 T371 C379 | L262-G350 VanDerWaalsContact CD2-C 3.49Å; T280-G350 VanDerWaalsContact OG1-CA 3.32Å; T280-G350 WeakPolarHBondContact OG1-CA 3.46Å; S281-G350 PolarHBondContact O-N 2.96Å; G350-T371 PolarHBondContact O-OG1 3Å; G350-C379 PolarHBondContact O-N 3.01Å |
| 351 | L | 92.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.2 | 179.3 | 176.7 | 66.5 | 0 | 0 | 0 | 111.1 | A247 L262 V282 I283 V353 C379 L381 | A247-L351 HydrophobicContact CB-CD2 3.64Å; L262-L351 HydrophobicContact CD1-CB 4.31Å; L262-L351 HydrophobicContact CD2-CB 3.78Å; L262-L351 HydrophobicContact CG-CB 4.47Å; V282-L351 WeakPolarHBondContact CA-O 2.94Å; V282-L351 HydrophobicContact CG1-CB 4.2Å; V282-L351 HydrophobicContact CG1-CD2 4.23Å; V282-L351 HydrophobicContact CG1-CG 4.19Å; V282-L351 WeakPolarHBondContact CG1-O 3.16Å; V282-L351 HydrophobicContact CG2-CB 4.15Å; I283-L351 PolarHBondContact N-O 2.91Å; L351-V353 HydrophobicContact CD1-CG2 4.35Å; L351-V353 HydrophobicContact CD2-CG2 3.81Å; L351-V353 HydrophobicContact CG-CG2 3.81Å; L351-C379 CarbonylContact C-O 3.51Å; L351-C379 VanDerWaalsContact CA-O 3.31Å; L351-C379 WeakPolarHBondContact CA-O 3.13Å; L351-C379 HydrophobicContact CD1-CB 3.9Å; L351-L381 HydrophobicContact CD1-CB 4.22Å |
| 352 | V | 93.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.8 | 166.8 | 176.4 | 0 | 0 | 0 | 0 | 108 | I283 F285 V349 R367 R370 T371 C379 A380 L381 | I283-V352 HydrophobicContact CG2-CB 4.05Å; I283-V352 HydrophobicContact CG2-CG1 3.98Å; I283-V352 HydrophobicContact CG2-CG2 3.69Å; F285-V352 HydrophobicContact CD2-CG1 3.86Å; F285-V352 HydrophobicContact CE2-CG1 3.85Å; V349-V352 HydrophobicContact CG2-CG2 3.79Å; V352-R367 HydrophobicContact CG1-CB 4.49Å; V352-R370 HydrophobicContact CG2-CB 3.99Å; V352-T371 HydrophobicContact CG2-CG2 3.87Å; V352-C379 PolarHBondContact N-O 3.35Å; V352-A380 HydrophobicContact CB-CB 4.31Å; V352-A380 CarbonylContact O-C 3.53Å; V352-A380 VanDerWaalsContact O-CA 3.29Å; V352-A380 WeakPolarHBondContact O-CA 3.14Å; V352-L381 PolarHBondContact O-N 3.18Å |
| 353 | V | 96.2 | Very high | 83 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.4 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | L240 L244 V282 I283 V284 F285 L351 Y355 L381 L383 | L240-V353 HydrophobicContact CD1-CB 4.43Å; L240-V353 HydrophobicContact CD1-CG1 3.75Å; L244-V353 HydrophobicContact CD2-CG2 4.16Å; V282-V353 HydrophobicContact CG1-CG2 4.21Å; I283-V353 PolarHBondContact O-N 2.79Å; V284-V353 CarbonylContact C-O 3.59Å; V284-V353 WeakPolarHBondContact CA-O 3.3Å; V284-V353 HydrophobicContact CG2-CB 4.27Å; F285-V353 PolarHBondContact N-O 2.78Å; L351-V353 HydrophobicContact CD1-CG2 4.35Å; L351-V353 HydrophobicContact CD2-CG2 3.81Å; L351-V353 HydrophobicContact CG-CG2 3.81Å; V353-Y355 PolarHBondContact O-N 2.88Å; V353-L381 CarbonylContact C-O 3.58Å; V353-L381 VanDerWaalsContact CA-O 3.3Å; V353-L381 WeakPolarHBondContact CA-O 3.49Å; V353-L383 HydrophobicContact CG1-CD1 4.49Å; V353-L383 HydrophobicContact CG1-CG 4.37Å |
| 354 | N | 96.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 91.3 | 166.6 | -65.2 | -49.4 | 0 | 0 | 0 | 107.9 | R367 L381 T382 L383 | N354-R367 WeakPolarHBondContact OD1-CD 3.41Å; N354-R367 PolarHBondContact OD1-NH1 3.31Å; N354-L381 PolarHBondContact N-O 3.24Å; N354-T382 HydrophobicContact CB-CG2 3.9Å; N354-T382 PolarHBondContact ND2-OG1 3.16Å; N354-L383 PolarHBondContact O-N 3.35Å |
| 355 | Y | 96.4 | Very high | 85.1 | Confident | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.1 | -45.7 | 172.9 | 171.9 | -87.5 | 0 | 0 | 0 | 110.1 | I236 D237 L240 F285 T286 R294 L295 V353 L383 | I236-Y355 HydrophobicContact CB-CE2 4.36Å; I236-Y355 HydrophobicContact CD1-CD2 4.13Å; I236-Y355 HydrophobicContact CD1-CE1 4.25Å; I236-Y355 HydrophobicContact CD1-CE2 3.84Å; I236-Y355 HydrophobicContact CG1-CD2 4.05Å; I236-Y355 HydrophobicContact CG1-CE2 3.63Å; I236-Y355 HydrophobicContact CG2-CE2 3.99Å; I236-Y355 VanDerWaalsContact CG2-OH 3.27Å; I236-Y355 WeakPolarHBondContact CG2-OH 3.29Å; D237-Y355 PolarHBondContact OD1-OH 3.13Å; L240-Y355 HydrophobicContact CB-CD2 4.16Å; L240-Y355 HydrophobicContact CB-CE2 4.48Å; L240-Y355 HydrophobicContact CD1-CD2 4.5Å; L240-Y355 HydrophobicContact CD2-CD2 3.6Å; L240-Y355 HydrophobicContact CD2-CE2 4.07Å; L240-Y355 HydrophobicContact CD2-CG 4.42Å; L240-Y355 HydrophobicContact CG-CD2 4.28Å; F285-Y355 WeakPolarHBondContact O-CB 3.44Å; F285-Y355 PolarHBondContact O-N 3.39Å; F285-Y355 VanDerWaalsContact O-N 3.16Å; T286-Y355 HydrophobicContact CG2-CD1 4.14Å; R294-Y355 PolarHBondContact NH2-OH 2.62Å; L295-Y355 HydrophobicContact CD1-CD1 3.85Å; L295-Y355 HydrophobicContact CD1-CD2 3.88Å; L295-Y355 HydrophobicContact CD1-CE1 4.02Å; L295-Y355 HydrophobicContact CD1-CE2 3.97Å; L295-Y355 HydrophobicContact CD1-CG 3.79Å; L295-Y355 HydrophobicContact CD2-CE2 4.09Å; V353-Y355 PolarHBondContact O-N 2.88Å; Y355-L383 HydrophobicContact CD2-CD1 4.27Å |
| 356 | D | 93.6 | Very high | 85.7 | Confident | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -104.1 | 133.1 | 168 | -65.3 | -54.3 | 0 | 0 | 0 | 110.3 | F285 T286 R287 R367 T470 | F285-D356 PolarHBondContact O-N 3.1Å; T286-D356 VanDerWaalsContact CA-OD2 3.25Å; T286-D356 WeakPolarHBondContact CA-OD2 3.2Å; R287-D356 HydrophobicContact CB-CB 3.94Å; R287-D356 PolarHBondContact N-OD2 3.28Å; D356-R367 PolarHBondContact O-NH1 2.98Å; D356-T470 WeakPolarHBondContact OD1-CB 3.3Å; D356-T470 WeakPolarHBondContact OD1-CG2 3.49Å; D356-T470 PolarHBondContact OD1-OG1 2.9Å; D356-T470 PolarHBondContact OD2-OG1 3.42Å |
| 357 | V | 91.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | trans | -61.5 | 129.2 | 173.1 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | R287 T382 L384 F391 F392 I396 | R287-V357 PolarHBondContact NH2-O 2.84Å; R287-V357 VanDerWaalsContact NH2-O 3.08Å; V357-T382 HydrophobicContact CG2-CG2 4.06Å; V357-L384 HydrophobicContact CG2-CD2 3.55Å; V357-F391 HydrophobicContact CG1-CD1 4.24Å; V357-F392 HydrophobicContact CG1-CB 4.16Å; V357-F392 HydrophobicContact CG1-CD2 3.91Å; V357-I396 HydrophobicContact CG1-CD1 3.55Å | ||
| 358 | P | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | trans | -64 | 162.2 | 176.6 | 26.7 | -33.4 | 0 | 0 | 0 | 111.6 | D360 T363 Y364 F391 I396 | P358-D360 VanDerWaalsContact C-N 3.31Å; P358-D360 PolarHBondContact O-N 3.37Å; P358-T363 HydrophobicContact CB-CG2 3.7Å; P358-Y364 HydrophobicContact CG-CD2 3.86Å; P358-Y364 HydrophobicContact CG-CG 4.24Å; P358-F391 WeakPolarHBondContact O-CE1 3.48Å; P358-I396 HydrophobicContact CG-CD1 3.87Å; P358-I396 WeakPolarHBondContact O-CD1 3.44Å | ||
| 359 | L | 84.4 | Confident | 87.3 | Confident | 90 Ų | 90 | 15.7 Ų | 15.7 | 47% | 0.471 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -83.3 | -3.5 | -175 | -59.6 | 177.8 | 0 | 0 | 0 | 114.1 | F391 | L359-F391 VanDerWaalsContact O-CZ 3.32Å; L359-F391 WeakPolarHBondContact O-CZ 3.32Å |
| 360 | D | 82.3 | Confident | 86.9 | Confident | 60 Ų | 60 | 16 Ų | 16 | 32% | 0.321 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -163.3 | 158.2 | -179.2 | 67.8 | 81.1 | 0 | 0 | 0 | 111.4 | P358 K362 T363 Y364 | P358-D360 VanDerWaalsContact C-N 3.31Å; P358-D360 PolarHBondContact O-N 3.37Å; D360-K362 VanDerWaalsContact C-N 3.26Å; D360-K362 PolarHBondContact O-N 2.87Å; D360-K362 VanDerWaalsContact OD1-CA 3.3Å; D360-K362 WeakPolarHBondContact OD1-CA 3.39Å; D360-K362 WeakPolarHBondContact OD1-CB 3.26Å; D360-K362 PolarHBondContact OD1-N 2.95Å; D360-T363 PolarHBondContact O-N 2.91Å; D360-T363 PolarHBondContact OD1-N 2.88Å; D360-T363 PolarHBondContact OD1-OG1 3.02Å; D360-T363 WeakPolarHBondContact OD2-CB 3.4Å; D360-T363 PolarHBondContact OD2-OG1 3.39Å; D360-Y364 PolarHBondContact O-N 3.44Å |
| 361 | A | 82.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 15.5 Ų | 15.5 | 7% | 0.074 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.9 | -30 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y364 M365 I396 H399 L400 | A361-Y364 WeakPolarHBondContact O-CB 3.39Å; A361-Y364 PolarHBondContact O-N 3.12Å; A361-M365 WeakPolarHBondContact O-CG 3.24Å; A361-M365 PolarHBondContact O-N 3.08Å; A361-I396 HydrophobicContact CB-CG2 4.47Å; A361-H399 HydrophobicContact CB-CB 3.81Å; A361-L400 HydrophobicContact CB-CD2 4.2Å; A361-L400 HydrophobicContact CB-CG 4.44Å |
| 362 | K | 78.2 | Confident | 85.4 | Confident | 53 Ų | 53 | 15.9 Ų | 15.9 | 23% | 0.23 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.6 | -43.9 | 179.9 | 171.5 | -176.6 | 176.5 | 175.7 | 0 | 110.7 | D162 T192 D360 Y364 M365 H366 | D162-K362 VanDerWaalsContact CB-NZ 3.32Å; D162-K362 PolarHBondContact O-NZ 3.44Å; D162-K362 WeakPolarHBondContact OD2-CE 3.29Å; D162-K362 IonicContact OD2-NZ 3.66Å; D162-K362 PolarHBondContact OD2-NZ 3.46Å; T192-K362 PolarHBondContact OG1-NZ 2.81Å; D360-K362 VanDerWaalsContact C-N 3.26Å; D360-K362 PolarHBondContact O-N 2.87Å; D360-K362 VanDerWaalsContact OD1-CA 3.3Å; D360-K362 WeakPolarHBondContact OD1-CA 3.39Å; D360-K362 WeakPolarHBondContact OD1-CB 3.26Å; D360-K362 PolarHBondContact OD1-N 2.95Å; K362-Y364 VanDerWaalsContact C-N 3.32Å; K362-M365 PolarHBondContact O-N 2.75Å; K362-H366 VanDerWaalsContact CE-CE1 3.48Å; K362-H366 WeakPolarHBondContact CE-CE1 3.44Å; K362-H366 VanDerWaalsContact O-CG 3.32Å; K362-H366 PolarHBondContact O-N 2.96Å |
| 363 | T | 82.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 17.4 Ų | 17.4 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 173.8 | -62.9 | 0 | 0 | 0 | 0 | 110 | D338 P358 D360 M365 H366 R367 | D338-T363 WeakPolarHBondContact OD1-CG2 3.41Å; P358-T363 HydrophobicContact CB-CG2 3.7Å; D360-T363 PolarHBondContact O-N 2.91Å; D360-T363 PolarHBondContact OD1-N 2.88Å; D360-T363 PolarHBondContact OD1-OG1 3.02Å; D360-T363 WeakPolarHBondContact OD2-CB 3.4Å; D360-T363 PolarHBondContact OD2-OG1 3.39Å; T363-M365 PolarHBondContact O-N 3Å; T363-H366 WeakPolarHBondContact O-CB 3.39Å; T363-H366 PolarHBondContact O-N 3.16Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.69Å |
| 364 | Y | 87.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.5 | -53.6 | 171.1 | -177.7 | -91.9 | 0 | 0 | 0 | 112.4 | Q226 P358 D360 A361 K362 H366 R367 V368 T382 F392 I396 L400 I411 | Q226-Y364 VanDerWaalsContact OE1-CE1 3.31Å; Q226-Y364 PolarHBondContact OE1-OH 3.35Å; P358-Y364 HydrophobicContact CG-CD2 3.86Å; P358-Y364 HydrophobicContact CG-CG 4.24Å; D360-Y364 PolarHBondContact O-N 3.44Å; A361-Y364 WeakPolarHBondContact O-CB 3.39Å; A361-Y364 PolarHBondContact O-N 3.12Å; K362-Y364 VanDerWaalsContact C-N 3.32Å; Y364-H366 VanDerWaalsContact C-N 3.27Å; Y364-H366 PolarHBondContact O-N 2.71Å; Y364-R367 WeakPolarHBondContact O-CB 3.49Å; Y364-R367 PolarHBondContact O-N 2.73Å; Y364-V368 HydrophobicContact CD1-CG1 4.19Å; Y364-V368 HydrophobicContact CD1-CG2 4.32Å; Y364-V368 HydrophobicContact CD2-CG1 4.45Å; Y364-V368 HydrophobicContact CE1-CG1 3.74Å; Y364-V368 HydrophobicContact CE1-CG2 4.13Å; Y364-V368 HydrophobicContact CE2-CG1 4.02Å; Y364-V368 PolarHBondContact O-N 3.38Å; Y364-T382 WeakPolarHBondContact CE2-OG1 3.08Å; Y364-F392 HydrophobicContact CD2-CE2 4.06Å; Y364-F392 AromaticContact CE2-CE2 3.64Å; Y364-F392 HydrophobicContact CE2-CE2 3.64Å; Y364-F392 HydrophobicContact CE2-CZ 4.2Å; Y364-I396 HydrophobicContact CD1-CG2 3.99Å; Y364-I396 HydrophobicContact CD2-CG2 3.96Å; Y364-I396 HydrophobicContact CG-CG2 3.65Å; Y364-L400 HydrophobicContact CD1-CD1 3.62Å; Y364-L400 HydrophobicContact CE1-CD1 3.66Å; Y364-I411 HydrophobicContact CE1-CD1 4.32Å; Y364-I411 WeakPolarHBondContact OH-CD1 3.43Å |
| 365 | M | 80.6 | Confident | 81.1 | Confident | 32 Ų | 32 | 24.5 Ų | 24.5 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -36 | 178.2 | -71.9 | -57.7 | -66.4 | 0 | 0 | 113 | F218 A361 K362 T363 R367 V368 G369 L400 | F218-M365 HydrophobicContact CD1-CG 4.22Å; A361-M365 WeakPolarHBondContact O-CG 3.24Å; A361-M365 PolarHBondContact O-N 3.08Å; K362-M365 PolarHBondContact O-N 2.75Å; T363-M365 PolarHBondContact O-N 3Å; M365-R367 VanDerWaalsContact C-N 3.34Å; M365-V368 HydrophobicContact SD-CG2 4.21Å; M365-G369 WeakPolarHBondContact O-CA 3.44Å; M365-G369 PolarHBondContact O-N 3.43Å; M365-L400 HydrophobicContact CG-CD2 3.47Å; M365-L400 VanDerWaalsContact CG-CD2 3.47Å; M365-L400 HydrophobicContact SD-CD1 4.43Å; M365-L400 HydrophobicContact SD-CD2 3.57Å; M365-L400 VanDerWaalsContact SD-CD2 3.57Å |
| 366 | H | 78.3 | Confident | 79.8 | Confident | 31 Ų | 31 | 31.6 Ų | 31.6 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -31.5 | 175.3 | -71.1 | 165.4 | 0 | 0 | 0 | 113.8 | K362 T363 Y364 R370 | K362-H366 VanDerWaalsContact CE-CE1 3.48Å; K362-H366 WeakPolarHBondContact CE-CE1 3.44Å; K362-H366 VanDerWaalsContact O-CG 3.32Å; K362-H366 PolarHBondContact O-N 2.96Å; T363-H366 WeakPolarHBondContact O-CB 3.39Å; T363-H366 PolarHBondContact O-N 3.16Å; Y364-H366 VanDerWaalsContact C-N 3.27Å; Y364-H366 PolarHBondContact O-N 2.71Å; H366-R370 PolarHBondContact O-NE 3.18Å |
| 367 | R | 86.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.7 | -54.6 | 176.3 | -70 | -175.8 | -178.4 | -171.9 | 3.1 | 110.8 | F285 D338 V352 N354 D356 T363 Y364 M365 G369 R370 | F285-R367 HydrophobicContact CD1-CG 4.04Å; F285-R367 HydrophobicContact CD2-CB 3.74Å; F285-R367 HydrophobicContact CD2-CG 3.68Å; F285-R367 HydrophobicContact CE1-CG 4.03Å; F285-R367 HydrophobicContact CE2-CB 3.56Å; F285-R367 HydrophobicContact CE2-CG 3.67Å; F285-R367 HydrophobicContact CG-CB 4.42Å; F285-R367 HydrophobicContact CG-CG 3.86Å; F285-R367 HydrophobicContact CZ-CB 4.12Å; F285-R367 HydrophobicContact CZ-CG 3.84Å; D338-R367 IonicContact OD1-CZ 2.71Å; D338-R367 IonicContact OD1-NE 3.39Å; D338-R367 PolarHBondContact OD1-NE 2.91Å; D338-R367 IonicContact OD1-NH2 2.84Å; D338-R367 IonicContact OD2-CZ 3.63Å; D338-R367 IonicContact OD2-NE 3.42Å; D338-R367 PolarHBondContact OD2-NE 3.48Å; D338-R367 IonicContact OD2-NH2 3.81Å; D338-R367 PolarHBondContact OD2-NH2 3.43Å; V352-R367 HydrophobicContact CG1-CB 4.49Å; N354-R367 WeakPolarHBondContact OD1-CD 3.41Å; N354-R367 PolarHBondContact OD1-NH1 3.31Å; D356-R367 PolarHBondContact O-NH1 2.98Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.69Å; Y364-R367 WeakPolarHBondContact O-CB 3.49Å; Y364-R367 PolarHBondContact O-N 2.73Å; M365-R367 VanDerWaalsContact C-N 3.34Å; R367-G369 VanDerWaalsContact C-N 3.25Å; R367-G369 PolarHBondContact O-N 3.09Å; R367-R370 VanDerWaalsContact O-CB 3.25Å; R367-R370 WeakPolarHBondContact O-CB 3.45Å; R367-R370 WeakPolarHBondContact O-CG 3.22Å; R367-R370 PolarHBondContact O-N 2.95Å |
| 368 | V | 85.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -31.7 | -179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L224 Y364 M365 R370 T371 A380 | L224-V368 HydrophobicContact CD1-CB 4.47Å; L224-V368 HydrophobicContact CD2-CB 3.91Å; L224-V368 HydrophobicContact CD2-CG2 3.67Å; Y364-V368 HydrophobicContact CD1-CG1 4.19Å; Y364-V368 HydrophobicContact CD1-CG2 4.32Å; Y364-V368 HydrophobicContact CD2-CG1 4.45Å; Y364-V368 HydrophobicContact CE1-CG1 3.74Å; Y364-V368 HydrophobicContact CE1-CG2 4.13Å; Y364-V368 HydrophobicContact CE2-CG1 4.02Å; Y364-V368 PolarHBondContact O-N 3.38Å; M365-V368 HydrophobicContact SD-CG2 4.21Å; V368-R370 PolarHBondContact O-N 3.44Å; V368-T371 VanDerWaalsContact O-CG2 3.32Å; V368-T371 WeakPolarHBondContact O-CG2 3.3Å; V368-T371 PolarHBondContact O-N 3.21Å; V368-T371 VanDerWaalsContact O-N 3.14Å; V368-A380 HydrophobicContact CB-CB 3.76Å; V368-A380 HydrophobicContact CG1-CB 3.52Å |
| 369 | G | 78.6 | Confident | 78.4 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 9.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | M365 R367 R373 | M365-G369 WeakPolarHBondContact O-CA 3.44Å; M365-G369 PolarHBondContact O-N 3.43Å; R367-G369 VanDerWaalsContact C-N 3.25Å; R367-G369 PolarHBondContact O-N 3.09Å; G369-R373 PolarHBondContact O-NE 3.44Å; G369-R373 PolarHBondContact O-NH2 3.41Å |
| 370 | R | 80.2 | Confident | 78.8 | Confident | 8 Ų | 8 | 33 Ų | 33 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19 | 167.3 | -61.8 | -65.2 | 164.3 | 160.4 | 11.1 | 112.9 | F285 S341 L344 V349 V352 H366 R367 V368 | F285-R370 HydrophobicContact CE2-CG 4.39Å; F285-R370 HydrophobicContact CZ-CG 4.17Å; S341-R370 PolarHBondContact O-NH2 2.91Å; L344-R370 PolarHBondContact O-NH1 2.92Å; V349-R370 HydrophobicContact CG2-CB 4.14Å; V349-R370 PolarHBondContact N-O 3.15Å; V352-R370 HydrophobicContact CG2-CB 3.99Å; H366-R370 PolarHBondContact O-NE 3.18Å; R367-R370 VanDerWaalsContact O-CB 3.25Å; R367-R370 WeakPolarHBondContact O-CB 3.45Å; R367-R370 WeakPolarHBondContact O-CG 3.22Å; R367-R370 PolarHBondContact O-N 2.95Å; V368-R370 PolarHBondContact O-N 3.44Å |
| 371 | T | 78.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106 | -179.3 | 168.9 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | L224 V349 G350 V352 V368 R373 G378 | L224-T371 HydrophobicContact CD1-CG2 3.3Å; V349-T371 WeakPolarHBondContact O-CA 3.3Å; V349-T371 WeakPolarHBondContact O-CB 3.3Å; V349-T371 PolarHBondContact O-OG1 2.83Å; G350-T371 PolarHBondContact O-OG1 3Å; V352-T371 HydrophobicContact CG2-CG2 3.87Å; V368-T371 VanDerWaalsContact O-CG2 3.32Å; V368-T371 WeakPolarHBondContact O-CG2 3.3Å; V368-T371 PolarHBondContact O-N 3.21Å; V368-T371 VanDerWaalsContact O-N 3.14Å; T371-R373 PolarHBondContact O-N 2.99Å; T371-R373 VanDerWaalsContact O-N 3.12Å; T371-G378 WeakPolarHBondContact OG1-CA 3.3Å |
| 372 | A | 71 | Confident | 80 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 54.2 | 30.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L221 N223 L224 R376 | L221-A372 HydrophobicContact CB-CB 4.47Å; N223-A372 HydrophobicContact CB-CB 4.43Å; N223-A372 WeakPolarHBondContact O-CB 3.31Å; L224-A372 HydrophobicContact CB-CB 3.65Å; L224-A372 HydrophobicContact CD1-CB 4.04Å; L224-A372 HydrophobicContact CG-CB 4.46Å; A372-R376 VanDerWaalsContact CA-O 3.3Å; A372-R376 WeakPolarHBondContact CA-O 3.44Å |
| 373 | R | 67.8 | Low | 80.8 | Confident | 33 Ų | 33 | 27.2 Ų | 27.2 | 13% | 0.125 | 16% | 0.16 | C | C | . | . | trans | -86.1 | 157.6 | 174.7 | -63.9 | -173.8 | -179.5 | -168.2 | -5.8 | 111.5 | T51 Q348 G369 T371 G375 R376 | T51-R373 PolarHBondContact O-NH1 3.04Å; T51-R373 PolarHBondContact OG1-NH2 3.32Å; Q348-R373 HydrophobicContact CG-CB 4.49Å; Q348-R373 PolarHBondContact NE2-O 3.29Å; Q348-R373 PolarHBondContact OE1-O 3.47Å; Q348-R373 VanDerWaalsContact OE1-O 3.14Å; G369-R373 PolarHBondContact O-NE 3.44Å; G369-R373 PolarHBondContact O-NH2 3.41Å; T371-R373 PolarHBondContact O-N 2.99Å; T371-R373 VanDerWaalsContact O-N 3.12Å; R373-G375 PolarHBondContact O-N 3.42Å; R373-G375 VanDerWaalsContact O-N 3.14Å; R373-R376 PolarHBondContact O-N 3.31Å; R373-R376 VanDerWaalsContact O-N 3.11Å | ||
| 374 | A | 63 | Low | 81.2 | Confident | 92 Ų | 92 | 26.8 Ų | 26.8 | 76% | 0.76 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | R376 | A374-R376 VanDerWaalsContact C-N 3.27Å; A374-R376 PolarHBondContact O-N 2.99Å |
| 375 | G | 63.6 | Low | 81.2 | Confident | 58 Ų | 58 | 27.1 Ų | 27.1 | 60% | 0.598 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -5.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N223 R373 | N223-G375 VanDerWaalsContact ND2-C 3.26Å; N223-G375 WeakPolarHBondContact ND2-CA 3.46Å; N223-G375 PolarHBondContact ND2-O 3.45Å; R373-G375 PolarHBondContact O-N 3.42Å; R373-G375 VanDerWaalsContact O-N 3.14Å |
| 376 | R | 68.9 | Low | 81.1 | Confident | 158 Ų | 158 | 26.6 Ų | 26.6 | 60% | 0.596 | 16% | 0.156 | S | C | * | . | trans | -77.5 | 154 | 174.7 | -47.5 | -175.1 | 170.1 | 92.6 | 1.3 | 111.2 | N223 A372 R373 A374 | N223-R376 WeakPolarHBondContact CB-O 3Å; A372-R376 VanDerWaalsContact CA-O 3.3Å; A372-R376 WeakPolarHBondContact CA-O 3.44Å; R373-R376 PolarHBondContact O-N 3.31Å; R373-R376 VanDerWaalsContact O-N 3.11Å; A374-R376 VanDerWaalsContact C-N 3.27Å; A374-R376 PolarHBondContact O-N 2.99Å | ||
| 377 | L | 75.6 | Confident | 81.2 | Confident | 122 Ų | 122 | 30.3 Ų | 30.3 | 64% | 0.639 | 17% | 0.169 | S | C | * | . | trans | -67.8 | 149.9 | 169.4 | -63.2 | 174.6 | 0 | 0 | 0 | 110.7 | N223 | N223-L377 HydrophobicContact CB-CD2 4.15Å; N223-L377 WeakPolarHBondContact O-CA 3.39Å | ||
| 378 | G | 82.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N223 R225 T371 | N223-G378 PolarHBondContact O-N 3.02Å; R225-G378 PolarHBondContact N-O 3.13Å; T371-G378 WeakPolarHBondContact OG1-CA 3.3Å |
| 379 | C | 88.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.5 | 177.2 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | R225 G350 L351 V352 | R225-C379 CarbonylContact O-C 3.58Å; R225-C379 WeakPolarHBondContact O-CA 3.35Å; G350-C379 PolarHBondContact O-N 3.01Å; L351-C379 CarbonylContact C-O 3.51Å; L351-C379 VanDerWaalsContact CA-O 3.31Å; L351-C379 WeakPolarHBondContact CA-O 3.13Å; L351-C379 HydrophobicContact CD1-CB 3.9Å; V352-C379 PolarHBondContact N-O 3.35Å |
| 380 | A | 91.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L224 R225 Q226 Y227 V352 V368 | L224-A380 HydrophobicContact CD1-CB 4.13Å; R225-A380 PolarHBondContact O-N 2.87Å; Q226-A380 CarbonylContact C-O 3.56Å; Q226-A380 WeakPolarHBondContact CA-O 3.48Å; Q226-A380 HydrophobicContact CG-CB 4.42Å; Y227-A380 PolarHBondContact N-O 3.13Å; V352-A380 HydrophobicContact CB-CB 4.31Å; V352-A380 CarbonylContact O-C 3.53Å; V352-A380 VanDerWaalsContact O-CA 3.29Å; V352-A380 WeakPolarHBondContact O-CA 3.14Å; V368-A380 HydrophobicContact CB-CB 3.76Å; V368-A380 HydrophobicContact CG1-CB 3.52Å |
| 381 | L | 94.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.9 | 175.1 | 177.7 | 58.9 | 0 | 0 | 0 | 109.6 | Y227 H229 F243 L351 V352 V353 N354 L383 L414 | Y227-L381 CarbonylContact O-C 3.58Å; Y227-L381 WeakPolarHBondContact O-CA 3.43Å; H229-L381 HydrophobicContact CB-CD1 4.03Å; F243-L381 HydrophobicContact CB-CD2 4.06Å; F243-L381 HydrophobicContact CD2-CD2 3.72Å; F243-L381 HydrophobicContact CE2-CD2 4.27Å; F243-L381 HydrophobicContact CG-CD2 3.86Å; L351-L381 HydrophobicContact CD1-CB 4.22Å; V352-L381 PolarHBondContact O-N 3.18Å; V353-L381 CarbonylContact C-O 3.58Å; V353-L381 VanDerWaalsContact CA-O 3.3Å; V353-L381 WeakPolarHBondContact CA-O 3.49Å; N354-L381 PolarHBondContact N-O 3.24Å; L381-L383 HydrophobicContact CD2-CD2 4.23Å; L381-L383 HydrophobicContact CG-CD2 4.21Å; L381-L414 HydrophobicContact CD1-CB 4.14Å; L381-L414 HydrophobicContact CD1-CD2 3.78Å; L381-L414 HydrophobicContact CD1-CG 4.48Å; L381-L414 HydrophobicContact CD2-CD2 4.03Å |
| 382 | T | 95.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.9 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | Y227 V228 H229 N354 V357 Y364 L384 F392 | Y227-T382 PolarHBondContact O-N 3.42Å; V228-T382 CarbonylContact C-O 3.57Å; V228-T382 WeakPolarHBondContact CA-O 3.43Å; H229-T382 PolarHBondContact N-O 2.84Å; N354-T382 HydrophobicContact CB-CG2 3.9Å; N354-T382 PolarHBondContact ND2-OG1 3.16Å; V357-T382 HydrophobicContact CG2-CG2 4.06Å; Y364-T382 WeakPolarHBondContact CE2-OG1 3.08Å; T382-L384 HydrophobicContact CG2-CD2 3.74Å; T382-L384 HydrophobicContact CG2-CG 4.42Å; T382-F392 HydrophobicContact CG2-CD2 4.2Å; T382-F392 HydrophobicContact CG2-CE2 3.91Å |
| 383 | L | 94.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117.5 | 176.1 | -56.1 | -174 | 0 | 0 | 0 | 108.9 | V231 I236 L240 F243 V353 N354 Y355 L381 | V231-L383 HydrophobicContact CG1-CD2 4.26Å; V231-L383 HydrophobicContact CG2-CB 4.08Å; I236-L383 HydrophobicContact CG1-CD1 4.05Å; L240-L383 HydrophobicContact CB-CD1 4.18Å; L240-L383 HydrophobicContact CD1-CD1 4.49Å; F243-L383 HydrophobicContact CD2-CD2 3.98Å; F243-L383 HydrophobicContact CE2-CD2 3.93Å; V353-L383 HydrophobicContact CG1-CD1 4.49Å; V353-L383 HydrophobicContact CG1-CG 4.37Å; N354-L383 PolarHBondContact O-N 3.35Å; Y355-L383 HydrophobicContact CD2-CD1 4.27Å; L381-L383 HydrophobicContact CD2-CD2 4.23Å; L381-L383 HydrophobicContact CG-CD2 4.21Å |
| 384 | L | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.7 | -179.1 | -62.9 | -174.5 | 0 | 0 | 0 | 109.2 | V228 H229 L230 V231 V357 T382 V389 F392 M506 | V228-L384 HydrophobicContact CB-CD1 3.75Å; V228-L384 HydrophobicContact CB-CG 4.22Å; V228-L384 HydrophobicContact CG1-CD1 3.88Å; V228-L384 HydrophobicContact CG1-CG 4.38Å; V228-L384 HydrophobicContact CG2-CD1 4.33Å; H229-L384 PolarHBondContact O-N 2.72Å; L230-L384 CarbonylContact C-O 3.51Å; L230-L384 VanDerWaalsContact CA-O 3.3Å; L230-L384 WeakPolarHBondContact CA-O 3.39Å; L230-L384 HydrophobicContact CD2-CB 3.6Å; L230-L384 HydrophobicContact CD2-CD1 4.45Å; L230-L384 HydrophobicContact CG-CB 4.37Å; V231-L384 PolarHBondContact N-O 3.12Å; V357-L384 HydrophobicContact CG2-CD2 3.55Å; T382-L384 HydrophobicContact CG2-CD2 3.74Å; T382-L384 HydrophobicContact CG2-CG 4.42Å; L384-V389 HydrophobicContact CB-CB 4.44Å; L384-V389 HydrophobicContact CD1-CG2 4.42Å; L384-F392 HydrophobicContact CD1-CD1 3.86Å; L384-F392 HydrophobicContact CD1-CE1 4.3Å; L384-F392 HydrophobicContact CD1-CG 4.25Å; L384-F392 HydrophobicContact CD2-CB 3.7Å; L384-F392 HydrophobicContact CD2-CD1 4.03Å; L384-F392 HydrophobicContact CD2-CD2 3.81Å; L384-F392 HydrophobicContact CD2-CE2 4.46Å; L384-F392 HydrophobicContact CD2-CG 3.56Å; L384-M506 HydrophobicContact CD1-CE 4.02Å |
| 385 | T | 88 | Confident | 84.3 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | trans | -105.5 | 171.6 | 177.2 | 74 | 0 | 0 | 0 | 0 | 109.9 | V231 Q233 I236 Y387 S388 V389 | V231-T385 HydrophobicContact CG2-CG2 3.78Å; V231-T385 WeakPolarHBondContact O-CA 3.44Å; Q233-T385 HydrophobicContact CB-CG2 4.45Å; Q233-T385 PolarHBondContact OE1-OG1 3.22Å; Q233-T385 VanDerWaalsContact OE1-OG1 3.11Å; I236-T385 HydrophobicContact CD1-CG2 3.74Å; T385-Y387 PolarHBondContact O-N 3.41Å; T385-Y387 PolarHBondContact OG1-N 3.38Å; T385-S388 PolarHBondContact N-OG 3Å; T385-S388 PolarHBondContact O-N 3.14Å; T385-V389 WeakPolarHBondContact O-CG1 3.41Å; T385-V389 PolarHBondContact O-N 3.22Å | ||
| 386 | Q | 77 | Confident | 85.3 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.6 | 176.6 | 69.2 | -90.1 | 33.1 | 0 | 0 | 113.5 | E490 A491 | Q386-E490 PolarHBondContact NE2-OE2 2.99Å; Q386-A491 HydrophobicContact CB-CB 4.24Å |
| 387 | Y | 82 | Confident | 86.1 | Confident | 108 Ų | 108 | 27.3 Ų | 27.3 | 42% | 0.424 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -21.9 | -180 | -53.8 | -67.6 | 0 | 0 | 0 | 113.4 | Q233 T385 I476 | Q233-Y387 HydrophobicContact CB-CD2 4.1Å; Q233-Y387 HydrophobicContact CB-CE2 3.79Å; Q233-Y387 HydrophobicContact CG-CD2 4.1Å; Q233-Y387 HydrophobicContact CG-CE2 3.88Å; T385-Y387 PolarHBondContact O-N 3.41Å; T385-Y387 PolarHBondContact OG1-N 3.38Å; Y387-I476 HydrophobicContact CE2-CD1 3.74Å |
| 388 | S | 85.2 | Confident | 86.4 | Confident | 16 Ų | 16 | 24.2 Ų | 24.2 | 11% | 0.112 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -20.8 | -172.8 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | T385 T390 F391 F392 | T385-S388 PolarHBondContact N-OG 3Å; T385-S388 PolarHBondContact O-N 3.14Å; S388-T390 PolarHBondContact O-N 3.29Å; S388-F391 PolarHBondContact O-N 3.14Å; S388-F392 WeakPolarHBondContact O-CB 3.32Å; S388-F392 PolarHBondContact O-N 3.29Å |
| 389 | V | 83.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | -175.4 | 60 | 0 | 0 | 0 | 0 | 113.3 | L230 L384 T385 F391 F392 L393 I499 I502 | L230-V389 HydrophobicContact CD2-CB 4.01Å; L230-V389 HydrophobicContact CD2-CG2 3.78Å; L384-V389 HydrophobicContact CB-CB 4.44Å; L384-V389 HydrophobicContact CD1-CG2 4.42Å; T385-V389 WeakPolarHBondContact O-CG1 3.41Å; T385-V389 PolarHBondContact O-N 3.22Å; V389-F391 VanDerWaalsContact C-N 3.33Å; V389-F391 PolarHBondContact O-N 3.24Å; V389-F392 PolarHBondContact O-N 3.13Å; V389-L393 HydrophobicContact CG2-CD1 3.91Å; V389-L393 WeakPolarHBondContact O-CD1 3.02Å; V389-L393 WeakPolarHBondContact O-CG 3.48Å; V389-L393 PolarHBondContact O-N 3.43Å; V389-L393 VanDerWaalsContact O-N 3.14Å; V389-I499 HydrophobicContact CG1-CD1 3.88Å; V389-I499 HydrophobicContact CG1-CG1 3.65Å; V389-I499 HydrophobicContact CG1-CG2 4.24Å; V389-I502 HydrophobicContact CG2-CG2 3.97Å |
| 390 | T | 79.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | S388 L393 K394 E498 I502 | S388-T390 PolarHBondContact O-N 3.29Å; T390-L393 PolarHBondContact O-N 2.84Å; T390-K394 HydrophobicContact CG2-CD 4.07Å; T390-K394 HydrophobicContact CG2-CG 4.49Å; T390-K394 WeakPolarHBondContact O-CB 3.43Å; T390-K394 WeakPolarHBondContact O-CG 3.41Å; T390-K394 PolarHBondContact O-N 3.41Å; T390-K394 VanDerWaalsContact O-N 3.1Å; T390-E498 VanDerWaalsContact CG2-CD 3.49Å; T390-E498 HydrophobicContact CG2-CG 4.15Å; T390-E498 WeakPolarHBondContact CG2-OE2 3.42Å; T390-I502 HydrophobicContact CG2-CD1 4.37Å |
| 391 | F | 85.9 | Confident | 85.1 | Confident | 80 Ų | 80 | 29.8 Ų | 29.8 | 35% | 0.351 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 178.2 | 178.4 | -89.7 | 0 | 0 | 0 | 110.9 | V357 P358 L359 S388 V389 L393 K394 E395 I396 | V357-F391 HydrophobicContact CG1-CD1 4.24Å; P358-F391 WeakPolarHBondContact O-CE1 3.48Å; L359-F391 VanDerWaalsContact O-CZ 3.32Å; L359-F391 WeakPolarHBondContact O-CZ 3.32Å; S388-F391 PolarHBondContact O-N 3.14Å; V389-F391 VanDerWaalsContact C-N 3.33Å; V389-F391 PolarHBondContact O-N 3.24Å; F391-L393 VanDerWaalsContact C-N 3.27Å; F391-L393 PolarHBondContact O-N 3.1Å; F391-K394 PolarHBondContact O-N 3.18Å; F391-E395 HydrophobicContact CD1-CB 4.46Å; F391-E395 HydrophobicContact CD2-CB 4.19Å; F391-E395 HydrophobicContact CD2-CG 3.74Å; F391-E395 HydrophobicContact CE1-CB 4.1Å; F391-E395 HydrophobicContact CE2-CB 3.83Å; F391-E395 HydrophobicContact CE2-CG 3.55Å; F391-E395 HydrophobicContact CG-CB 4.49Å; F391-E395 HydrophobicContact CG-CG 4.39Å; F391-E395 HydrophobicContact CZ-CB 3.75Å; F391-E395 HydrophobicContact CZ-CG 4.03Å; F391-E395 WeakPolarHBondContact O-CB 3.37Å; F391-E395 PolarHBondContact O-N 3.42Å; F391-I396 HydrophobicContact CE1-CD1 4.27Å; F391-I396 HydrophobicContact CE1-CG1 4.46Å |
| 392 | F | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -54.3 | -45.7 | 178.7 | 178.9 | -95 | 0 | 0 | 0 | 111.6 | V228 V357 Y364 T382 L384 S388 V389 I396 E397 I411 | V228-F392 HydrophobicContact CG1-CD1 4.49Å; V228-F392 HydrophobicContact CG1-CE1 3.61Å; V228-F392 HydrophobicContact CG1-CZ 3.66Å; V357-F392 HydrophobicContact CG1-CB 4.16Å; V357-F392 HydrophobicContact CG1-CD2 3.91Å; Y364-F392 HydrophobicContact CD2-CE2 4.06Å; Y364-F392 AromaticContact CE2-CE2 3.64Å; Y364-F392 HydrophobicContact CE2-CE2 3.64Å; Y364-F392 HydrophobicContact CE2-CZ 4.2Å; T382-F392 HydrophobicContact CG2-CD2 4.2Å; T382-F392 HydrophobicContact CG2-CE2 3.91Å; L384-F392 HydrophobicContact CD1-CD1 3.86Å; L384-F392 HydrophobicContact CD1-CE1 4.3Å; L384-F392 HydrophobicContact CD1-CG 4.25Å; L384-F392 HydrophobicContact CD2-CB 3.7Å; L384-F392 HydrophobicContact CD2-CD1 4.03Å; L384-F392 HydrophobicContact CD2-CD2 3.81Å; L384-F392 HydrophobicContact CD2-CE2 4.46Å; L384-F392 HydrophobicContact CD2-CG 3.56Å; S388-F392 WeakPolarHBondContact O-CB 3.32Å; S388-F392 PolarHBondContact O-N 3.29Å; V389-F392 PolarHBondContact O-N 3.13Å; F392-I396 HydrophobicContact CD2-CB 4.14Å; F392-I396 HydrophobicContact CD2-CD1 3.81Å; F392-I396 HydrophobicContact CD2-CG2 4.26Å; F392-I396 HydrophobicContact CE2-CB 4.35Å; F392-I396 HydrophobicContact CE2-CD1 4.37Å; F392-I396 HydrophobicContact CE2-CG2 3.98Å; F392-I396 CarbonylContact O-C 3.56Å; F392-I396 VanDerWaalsContact O-CA 3.3Å; F392-I396 WeakPolarHBondContact O-CA 3.23Å; F392-I396 WeakPolarHBondContact O-CB 3.49Å; F392-I396 PolarHBondContact O-N 3.27Å; F392-E397 HydrophobicContact CE1-CB 4.18Å; F392-E397 PolarHBondContact O-N 3.43Å; F392-I411 HydrophobicContact CE1-CD1 4.26Å; F392-I411 HydrophobicContact CZ-CD1 3.72Å |
| 393 | L | 85.2 | Confident | 82.6 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -75.3 | -39.9 | -174.1 | -66.2 | 162.2 | 0 | 0 | 0 | 112.8 | V389 T390 F391 E397 S398 I502 M506 | V389-L393 HydrophobicContact CG2-CD1 3.91Å; V389-L393 WeakPolarHBondContact O-CD1 3.02Å; V389-L393 WeakPolarHBondContact O-CG 3.48Å; V389-L393 PolarHBondContact O-N 3.43Å; V389-L393 VanDerWaalsContact O-N 3.14Å; T390-L393 PolarHBondContact O-N 2.84Å; F391-L393 VanDerWaalsContact C-N 3.27Å; F391-L393 PolarHBondContact O-N 3.1Å; L393-E397 HydrophobicContact CD2-CB 4.22Å; L393-E397 WeakPolarHBondContact CD2-OE2 3.3Å; L393-S398 VanDerWaalsContact O-CB 3.31Å; L393-S398 WeakPolarHBondContact O-CB 3.37Å; L393-S398 PolarHBondContact O-N 3.06Å; L393-I502 HydrophobicContact CB-CD1 4.46Å; L393-I502 HydrophobicContact CD1-CB 3.75Å; L393-I502 HydrophobicContact CD1-CD1 3.7Å; L393-I502 HydrophobicContact CD1-CG1 3.63Å; L393-I502 HydrophobicContact CD1-CG2 2.9Å; L393-I502 HydrophobicContact CG-CG2 4.37Å; L393-M506 HydrophobicContact CD1-CE 4.25Å; L393-M506 HydrophobicContact CD2-CE 3.83Å; L393-M506 HydrophobicContact CG-CE 4.49Å |
| 394 | K | 83.1 | Confident | 80.8 | Confident | 104 Ų | 104 | 37.8 Ų | 37.8 | 45% | 0.452 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -74.2 | -44.4 | 179.4 | -68.1 | -171.3 | -178.4 | -172.8 | 0 | 112.7 | T390 F391 S398 E498 | T390-K394 HydrophobicContact CG2-CD 4.07Å; T390-K394 HydrophobicContact CG2-CG 4.49Å; T390-K394 WeakPolarHBondContact O-CB 3.43Å; T390-K394 WeakPolarHBondContact O-CG 3.41Å; T390-K394 PolarHBondContact O-N 3.41Å; T390-K394 VanDerWaalsContact O-N 3.1Å; F391-K394 PolarHBondContact O-N 3.18Å; K394-S398 WeakPolarHBondContact O-CB 3.42Å; K394-E498 WeakPolarHBondContact CE-OE1 3.48Å; K394-E498 IonicContact NZ-OE1 3.52Å; K394-E498 PolarHBondContact NZ-OE1 3.32Å |
| 395 | E | 83.9 | Confident | 79.1 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -103.5 | -16.2 | -168.2 | -57.8 | -55.5 | 136.6 | 0 | 0 | 113.9 | F391 H399 | F391-E395 HydrophobicContact CD1-CB 4.46Å; F391-E395 HydrophobicContact CD2-CB 4.19Å; F391-E395 HydrophobicContact CD2-CG 3.74Å; F391-E395 HydrophobicContact CE1-CB 4.1Å; F391-E395 HydrophobicContact CE2-CB 3.83Å; F391-E395 HydrophobicContact CE2-CG 3.55Å; F391-E395 HydrophobicContact CG-CB 4.49Å; F391-E395 HydrophobicContact CG-CG 4.39Å; F391-E395 HydrophobicContact CZ-CB 3.75Å; F391-E395 HydrophobicContact CZ-CG 4.03Å; F391-E395 WeakPolarHBondContact O-CB 3.37Å; F391-E395 PolarHBondContact O-N 3.42Å; E395-H399 PolarHBondContact O-ND1 2.86Å; E395-H399 IonicContact OE2-CE1 3.21Å |
| 396 | I | 86.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -113 | -69 | 178.1 | -60.1 | 171.3 | 0 | 0 | 0 | 109.8 | V357 P358 A361 Y364 F391 F392 S398 H399 L400 | V357-I396 HydrophobicContact CG1-CD1 3.55Å; P358-I396 HydrophobicContact CG-CD1 3.87Å; P358-I396 WeakPolarHBondContact O-CD1 3.44Å; A361-I396 HydrophobicContact CB-CG2 4.47Å; Y364-I396 HydrophobicContact CD1-CG2 3.99Å; Y364-I396 HydrophobicContact CD2-CG2 3.96Å; Y364-I396 HydrophobicContact CG-CG2 3.65Å; F391-I396 HydrophobicContact CE1-CD1 4.27Å; F391-I396 HydrophobicContact CE1-CG1 4.46Å; F392-I396 HydrophobicContact CD2-CB 4.14Å; F392-I396 HydrophobicContact CD2-CD1 3.81Å; F392-I396 HydrophobicContact CD2-CG2 4.26Å; F392-I396 HydrophobicContact CE2-CB 4.35Å; F392-I396 HydrophobicContact CE2-CD1 4.37Å; F392-I396 HydrophobicContact CE2-CG2 3.98Å; F392-I396 CarbonylContact O-C 3.56Å; F392-I396 VanDerWaalsContact O-CA 3.3Å; F392-I396 WeakPolarHBondContact O-CA 3.23Å; F392-I396 WeakPolarHBondContact O-CB 3.49Å; F392-I396 PolarHBondContact O-N 3.27Å; I396-S398 PolarHBondContact O-N 3.32Å; I396-H399 PolarHBondContact O-N 3.11Å; I396-H399 VanDerWaalsContact O-N 3.12Å; I396-L400 HydrophobicContact CG2-CD1 3.86Å; I396-L400 HydrophobicContact CG2-CG 4.37Å; I396-L400 VanDerWaalsContact O-CG 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.36Å; I396-L400 PolarHBondContact O-N 3.2Å |
| 397 | E | 84.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -60.8 | -46.9 | -171.5 | -165.7 | -168.3 | -123.9 | 0 | 0 | 112.2 | F392 L393 H399 L400 I401 R410 I411 | F392-E397 HydrophobicContact CE1-CB 4.18Å; F392-E397 PolarHBondContact O-N 3.43Å; L393-E397 HydrophobicContact CD2-CB 4.22Å; L393-E397 WeakPolarHBondContact CD2-OE2 3.3Å; E397-H399 VanDerWaalsContact C-N 3.29Å; E397-H399 PolarHBondContact O-N 3.12Å; E397-L400 PolarHBondContact O-N 2.71Å; E397-L400 VanDerWaalsContact O-N 3.08Å; E397-I401 HydrophobicContact CG-CD1 3.94Å; E397-I401 HydrophobicContact CG-CG1 4.45Å; E397-I401 WeakPolarHBondContact O-CG1 3.47Å; E397-I401 PolarHBondContact O-N 2.8Å; E397-R410 WeakPolarHBondContact OE1-CD 3.3Å; E397-R410 WeakPolarHBondContact OE2-CD 3.46Å; E397-R410 IonicContact OE2-CZ 3.9Å; E397-R410 IonicContact OE2-NE 3.18Å; E397-R410 IonicContact OE2-NH1 3.59Å; E397-R410 PolarHBondContact OE2-NH1 2.82Å; E397-I411 HydrophobicContact CG-CD1 4.44Å; E397-I411 HydrophobicContact CG-CG1 4.46Å; E397-I411 PolarHBondContact OE1-N 3.22Å |
| 398 | S | 82.5 | Confident | 75.4 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.4 | -41 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | L393 K394 I396 S402 | L393-S398 VanDerWaalsContact O-CB 3.31Å; L393-S398 WeakPolarHBondContact O-CB 3.37Å; L393-S398 PolarHBondContact O-N 3.06Å; K394-S398 WeakPolarHBondContact O-CB 3.42Å; I396-S398 PolarHBondContact O-N 3.32Å; S398-S402 WeakPolarHBondContact O-CB 3.46Å; S398-S402 PolarHBondContact O-N 3.16Å; S398-S402 PolarHBondContact O-OG 3.06Å |
| 399 | H | 81 | Confident | 74.6 | Confident | 91 Ų | 91 | 48.9 Ų | 48.9 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -37 | 175.7 | -74.4 | 139.5 | 0 | 0 | 0 | 112.7 | A361 E395 I396 E397 S402 A403 | A361-H399 HydrophobicContact CB-CB 3.81Å; E395-H399 PolarHBondContact O-ND1 2.86Å; E395-H399 IonicContact OE2-CE1 3.21Å; I396-H399 PolarHBondContact O-N 3.11Å; I396-H399 VanDerWaalsContact O-N 3.12Å; E397-H399 VanDerWaalsContact C-N 3.29Å; E397-H399 PolarHBondContact O-N 3.12Å; H399-S402 WeakPolarHBondContact CA-OG 3.25Å; H399-S402 PolarHBondContact O-OG 3.13Å; H399-A403 WeakPolarHBondContact O-CB 3.36Å; H399-A403 PolarHBondContact O-N 2.84Å |
| 400 | L | 77.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 176.8 | -63.4 | 176.6 | 0 | 0 | 0 | 112 | F218 A361 Y364 M365 I396 E397 G405 L406 I411 | F218-L400 HydrophobicContact CD1-CD2 4.45Å; A361-L400 HydrophobicContact CB-CD2 4.2Å; A361-L400 HydrophobicContact CB-CG 4.44Å; Y364-L400 HydrophobicContact CD1-CD1 3.62Å; Y364-L400 HydrophobicContact CE1-CD1 3.66Å; M365-L400 HydrophobicContact CG-CD2 3.47Å; M365-L400 VanDerWaalsContact CG-CD2 3.47Å; M365-L400 HydrophobicContact SD-CD1 4.43Å; M365-L400 HydrophobicContact SD-CD2 3.57Å; M365-L400 VanDerWaalsContact SD-CD2 3.57Å; I396-L400 HydrophobicContact CG2-CD1 3.86Å; I396-L400 HydrophobicContact CG2-CG 4.37Å; I396-L400 VanDerWaalsContact O-CG 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.36Å; I396-L400 PolarHBondContact O-N 3.2Å; E397-L400 PolarHBondContact O-N 2.71Å; E397-L400 VanDerWaalsContact O-N 3.08Å; L400-G405 WeakPolarHBondContact O-CA 3.44Å; L400-G405 PolarHBondContact O-N 3.12Å; L400-L406 HydrophobicContact CB-CD1 3.65Å; L400-L406 HydrophobicContact CB-CG 4.44Å; L400-L406 HydrophobicContact CD1-CD1 3.9Å; L400-L406 HydrophobicContact CG-CD1 4.44Å; L400-L406 PolarHBondContact O-N 3.4Å; L400-I411 HydrophobicContact CD1-CD1 4.36Å |
| 401 | I | 76.9 | Confident | 74.7 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -54.8 | 175.2 | -71.4 | 171.2 | 0 | 0 | 0 | 110.2 | E397 A403 G404 L406 | E397-I401 HydrophobicContact CG-CD1 3.94Å; E397-I401 HydrophobicContact CG-CG1 4.45Å; E397-I401 WeakPolarHBondContact O-CG1 3.47Å; E397-I401 PolarHBondContact O-N 2.8Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 2.71Å; I401-G404 PolarHBondContact O-N 2.94Å; I401-G404 VanDerWaalsContact O-N 3.16Å; I401-L406 HydrophobicContact CG1-CB 4.48Å |
| 402 | S | 73.6 | Confident | 74.6 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -31.2 | -176.1 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | S398 H399 G404 | S398-S402 WeakPolarHBondContact O-CB 3.46Å; S398-S402 PolarHBondContact O-N 3.16Å; S398-S402 PolarHBondContact O-OG 3.06Å; H399-S402 WeakPolarHBondContact CA-OG 3.25Å; H399-S402 PolarHBondContact O-OG 3.13Å; S402-G404 PolarHBondContact O-N 3.3Å |
| 403 | A | 63.9 | Low | 74.5 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 28% | 0.281 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 10.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | F218 H399 I401 G405 | F218-A403 HydrophobicContact CD2-CB 3.12Å; F218-A403 HydrophobicContact CE2-CB 3.21Å; F218-A403 HydrophobicContact CG-CB 3.97Å; F218-A403 HydrophobicContact CZ-CB 4.12Å; H399-A403 WeakPolarHBondContact O-CB 3.36Å; H399-A403 PolarHBondContact O-N 2.84Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 2.71Å; A403-G405 VanDerWaalsContact C-N 3.27Å; A403-G405 PolarHBondContact O-N 2.86Å |
| 404 | G | 56.8 | Low | 74.6 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 15.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I401 S402 | I401-G404 PolarHBondContact O-N 2.94Å; I401-G404 VanDerWaalsContact O-N 3.16Å; S402-G404 PolarHBondContact O-N 3.3Å |
| 405 | G | 56.1 | Low | 74.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -81.7 | -20.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F218 S220 L400 A403 | F218-G405 WeakPolarHBondContact O-CA 3.44Å; S220-G405 WeakPolarHBondContact CB-O 3.43Å; L400-G405 WeakPolarHBondContact O-CA 3.44Å; L400-G405 PolarHBondContact O-N 3.12Å; A403-G405 VanDerWaalsContact C-N 3.27Å; A403-G405 PolarHBondContact O-N 2.86Å |
| 406 | L | 56.2 | Low | 74.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -126.7 | 6.3 | 179.7 | -90.9 | 159.7 | 0 | 0 | 0 | 113.4 | L400 I401 E409 I411 | L400-L406 HydrophobicContact CB-CD1 3.65Å; L400-L406 HydrophobicContact CB-CG 4.44Å; L400-L406 HydrophobicContact CD1-CD1 3.9Å; L400-L406 HydrophobicContact CG-CD1 4.44Å; L400-L406 PolarHBondContact O-N 3.4Å; I401-L406 HydrophobicContact CG1-CB 4.48Å; L406-E409 WeakPolarHBondContact O-CB 3.21Å; L406-E409 PolarHBondContact O-N 3.39Å; L406-I411 HydrophobicContact CD1-CD1 3.92Å; L406-I411 HydrophobicContact CD1-CG1 3.63Å; L406-I411 HydrophobicContact CD2-CG1 4.24Å |
| 407 | G | 55 | Low | 73.9 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 57% | 0.567 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 65.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E409 | G407-E409 PolarHBondContact O-N 3.33Š|
| 408 | H | 58.5 | Low | 73.6 | Confident | 175 Ų | 175 | 52.5 Ų | 52.5 | 81% | 0.81 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -2.8 | -178.8 | -68 | -68.8 | 0 | 0 | 0 | 117.5 | ||
| 409 | E | 69 | Low | 73.6 | Confident | 122 Ų | 122 | 51.1 Ų | 51.1 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -94 | 139.7 | -174.8 | -155.1 | 176.3 | 175.3 | 0 | 0 | 111 | L406 G407 | L406-E409 WeakPolarHBondContact O-CB 3.21Å; L406-E409 PolarHBondContact O-N 3.39Å; G407-E409 PolarHBondContact O-N 3.33Å |
| 410 | R | 80.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 156.2 | 173.1 | -68.6 | -77.9 | -152.5 | -152.1 | -1.5 | 110 | E397 P412 A505 | E397-R410 WeakPolarHBondContact OE1-CD 3.3Å; E397-R410 WeakPolarHBondContact OE2-CD 3.46Å; E397-R410 IonicContact OE2-CZ 3.9Å; E397-R410 IonicContact OE2-NE 3.18Å; E397-R410 IonicContact OE2-NH1 3.59Å; E397-R410 PolarHBondContact OE2-NH1 2.82Å; R410-P412 WeakPolarHBondContact O-CD 3.38Å; R410-A505 PolarHBondContact NE-O 2.84Å |
| 411 | I | 83.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 121.2 | 170.2 | -60.7 | 167.6 | 0 | 0 | 0 | 107.8 | Q226 V228 Y364 F392 E397 L400 L406 | Q226-I411 HydrophobicContact CB-CG2 3.84Å; V228-I411 HydrophobicContact CG1-CB 4.29Å; V228-I411 HydrophobicContact CG1-CG2 3.84Å; Y364-I411 HydrophobicContact CE1-CD1 4.32Å; Y364-I411 WeakPolarHBondContact OH-CD1 3.43Å; F392-I411 HydrophobicContact CE1-CD1 4.26Å; F392-I411 HydrophobicContact CZ-CD1 3.72Å; E397-I411 HydrophobicContact CG-CD1 4.44Å; E397-I411 HydrophobicContact CG-CG1 4.46Å; E397-I411 PolarHBondContact OE1-N 3.22Å; L400-I411 HydrophobicContact CD1-CD1 4.36Å; L406-I411 HydrophobicContact CD1-CD1 3.92Å; L406-I411 HydrophobicContact CD1-CG1 3.63Å; L406-I411 HydrophobicContact CD2-CG1 4.24Å |
| 412 | P | 84.4 | Confident | 74.7 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 154.3 | -174.3 | 28.4 | -36.1 | 0 | 0 | 0 | 112.8 | Q226 Y227 V228 R410 V509 | Q226-P412 WeakPolarHBondContact O-CD 3.32Å; Q226-P412 WeakPolarHBondContact O-CG 3.43Å; Y227-P412 VanDerWaalsContact CA-O 3.3Å; Y227-P412 WeakPolarHBondContact CA-O 3.27Å; Y227-P412 HydrophobicContact CD1-CG 3.93Å; Y227-P412 HydrophobicContact CE1-CG 4.03Å; V228-P412 PolarHBondContact N-O 2.89Å; R410-P412 WeakPolarHBondContact O-CD 3.38Å; P412-V509 HydrophobicContact CB-CG2 3.68Å; P412-V509 HydrophobicContact CG-CG2 3.86Å |
| 413 | A | 85.8 | Confident | 75.2 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 139.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V228 V415 | V228-A413 CarbonylContact O-C 3.52Å; V228-A413 VanDerWaalsContact O-CA 3.29Å; V228-A413 WeakPolarHBondContact O-CA 3.33Å; A413-V415 VanDerWaalsContact C-N 3.29Å; A413-V415 PolarHBondContact O-N 2.57Å |
| 414 | L | 87.5 | Confident | 76.3 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -62.7 | -39.4 | 175.7 | 179.6 | 62.7 | 0 | 0 | 0 | 111.7 | Y227 V228 H229 F243 L257 L259 I260 L381 | Y227-L414 HydrophobicContact CD1-CD1 4.34Å; Y227-L414 HydrophobicContact CD2-CD1 4.1Å; Y227-L414 HydrophobicContact CG-CB 4.4Å; Y227-L414 HydrophobicContact CG-CD1 3.93Å; V228-L414 PolarHBondContact O-N 3.48Å; H229-L414 HydrophobicContact CB-CB 4.26Å; F243-L414 HydrophobicContact CD1-CD2 4.08Å; F243-L414 HydrophobicContact CE1-CD2 3.72Å; F243-L414 HydrophobicContact CZ-CD2 4.06Å; L257-L414 HydrophobicContact CD2-CD1 4.4Å; L257-L414 HydrophobicContact CD2-CD2 3.8Å; L257-L414 HydrophobicContact CD2-CG 3.88Å; L259-L414 HydrophobicContact CB-CD1 4.46Å; I260-L414 HydrophobicContact CD1-CD2 4.43Å; I260-L414 HydrophobicContact CG2-CD1 3.65Å; I260-L414 HydrophobicContact CG2-CD2 4.18Å; L381-L414 HydrophobicContact CD1-CB 4.14Å; L381-L414 HydrophobicContact CD1-CD2 3.78Å; L381-L414 HydrophobicContact CD1-CG 4.48Å; L381-L414 HydrophobicContact CD2-CD2 4.03Å |
| 415 | V | 85.2 | Confident | 77.8 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -134.3 | 128.6 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | L257 A413 P417 V421 D422 L425 | L257-V415 HydrophobicContact CD2-CG2 3.47Å; L257-V415 VanDerWaalsContact CD2-CG2 3.47Å; L257-V415 HydrophobicContact CG-CG2 4.47Å; A413-V415 VanDerWaalsContact C-N 3.29Å; A413-V415 PolarHBondContact O-N 2.57Å; V415-P417 WeakPolarHBondContact O-CD 3.42Å; V415-V421 HydrophobicContact CG1-CB 4.05Å; V415-V421 HydrophobicContact CG1-CG1 3.88Å; V415-V421 HydrophobicContact CG2-CG1 4.25Å; V415-D422 HydrophobicContact CG1-CB 3.83Å; V415-L425 HydrophobicContact CG2-CD2 4.3Å |
| 416 | E | 79 | Confident | 79.3 | Confident | 110 Ų | 110 | 54.9 Ų | 54.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | trans | -62.9 | 124.6 | 174.7 | -179.3 | 172.1 | -159.9 | 0 | 0 | 110.2 | S419 D422 T508 | E416-S419 VanDerWaalsContact O-CB 3.23Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.96Å; E416-S419 PolarHBondContact O-OG 3.33Å; E416-D422 WeakPolarHBondContact O-CB 3.38Å; E416-T508 HydrophobicContact CB-CG2 3.91Å; E416-T508 HydrophobicContact CG-CG2 3.95Å | ||
| 417 | P | 75.6 | Confident | 80.8 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 139.4 | 175.9 | -26.9 | 36 | 0 | 0 | 0 | 113 | V415 S419 D422 W487 M503 | V415-P417 WeakPolarHBondContact O-CD 3.42Å; P417-S419 PolarHBondContact O-N 2.95Å; P417-D422 WeakPolarHBondContact CA-OD2 3.29Å; P417-W487 HydrophobicContact CB-CH2 3.35Å; P417-W487 HydrophobicContact CB-CZ2 4Å; P417-W487 HydrophobicContact CB-CZ3 3.96Å; P417-W487 HydrophobicContact CG-CH2 4.27Å; P417-W487 HydrophobicContact CG-CZ3 4.43Å; P417-M503 HydrophobicContact CG-CE 4.18Å |
| 418 | N | 77.2 | Confident | 82.4 | Confident | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 0.1 | -176.4 | -51.4 | -53.4 | 0 | 0 | 0 | 116.7 | D422 T485 W487 | N418-D422 PolarHBondContact N-OD2 3.07Å; N418-T485 WeakPolarHBondContact OD1-CB 3.38Å; N418-T485 WeakPolarHBondContact OD1-CG2 3.44Å; N418-W487 WeakPolarHBondContact ND2-CH2 3.39Å; N418-W487 WeakPolarHBondContact ND2-CZ2 3.48Å |
| 419 | S | 84.2 | Confident | 83.9 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -62.3 | 164.6 | 174.8 | 67 | 0 | 0 | 0 | 0 | 111.8 | E416 P417 V421 D422 K423 | E416-S419 VanDerWaalsContact O-CB 3.23Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.96Å; E416-S419 PolarHBondContact O-OG 3.33Å; P417-S419 PolarHBondContact O-N 2.95Å; S419-V421 PolarHBondContact O-N 3.02Å; S419-D422 WeakPolarHBondContact O-CB 3.29Å; S419-D422 PolarHBondContact O-N 2.86Å; S419-D422 VanDerWaalsContact O-N 3.11Å; S419-D422 WeakPolarHBondContact OG-CB 3.48Å; S419-D422 PolarHBondContact OG-N 3Å; S419-D422 VanDerWaalsContact OG-N 3.12Å; S419-K423 PolarHBondContact O-N 3.12Å |
| 420 | S | 85.6 | Confident | 84.9 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 58% | 0.58 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57.2 | -39.1 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | D422 K423 Q424 | S420-D422 VanDerWaalsContact C-N 3.34Å; S420-K423 PolarHBondContact O-N 3.05Å; S420-Q424 WeakPolarHBondContact O-CG 3.43Å; S420-Q424 PolarHBondContact O-N 3.16Å; S420-Q424 VanDerWaalsContact O-N 3.12Å; S420-Q424 PolarHBondContact OG-NE2 3.45Å |
| 421 | V | 85.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | P255 V415 S419 Q424 L425 | P255-V421 VanDerWaalsContact O-CG1 3.29Å; P255-V421 WeakPolarHBondContact O-CG1 3.39Å; P255-V421 VanDerWaalsContact O-CG2 3.26Å; P255-V421 WeakPolarHBondContact O-CG2 3.4Å; V415-V421 HydrophobicContact CG1-CB 4.05Å; V415-V421 HydrophobicContact CG1-CG1 3.88Å; V415-V421 HydrophobicContact CG2-CG1 4.25Å; S419-V421 PolarHBondContact O-N 3.02Å; V421-Q424 PolarHBondContact O-N 3.13Å; V421-L425 WeakPolarHBondContact O-CB 3.47Å; V421-L425 PolarHBondContact O-N 3.32Å |
| 422 | D | 85.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.4 | -168.9 | 31.2 | 0 | 0 | 0 | 112.6 | V415 E416 P417 N418 S419 S420 Q424 L425 E426 R484 | V415-D422 HydrophobicContact CG1-CB 3.83Å; E416-D422 WeakPolarHBondContact O-CB 3.38Å; P417-D422 WeakPolarHBondContact CA-OD2 3.29Å; N418-D422 PolarHBondContact N-OD2 3.07Å; S419-D422 WeakPolarHBondContact O-CB 3.29Å; S419-D422 PolarHBondContact O-N 2.86Å; S419-D422 VanDerWaalsContact O-N 3.11Å; S419-D422 WeakPolarHBondContact OG-CB 3.48Å; S419-D422 PolarHBondContact OG-N 3Å; S419-D422 VanDerWaalsContact OG-N 3.12Å; S420-D422 VanDerWaalsContact C-N 3.34Å; D422-Q424 VanDerWaalsContact C-N 3.31Å; D422-Q424 PolarHBondContact O-N 3.14Å; D422-L425 WeakPolarHBondContact O-CB 3.42Å; D422-L425 PolarHBondContact O-N 2.94Å; D422-E426 WeakPolarHBondContact O-CG 3.38Å; D422-E426 PolarHBondContact O-N 3.48Å; D422-R484 IonicContact OD1-CZ 3.86Å; D422-R484 IonicContact OD1-NE 2.7Å; D422-R484 PolarHBondContact OD1-NE 3.33Å; D422-R484 IonicContact OD1-NH2 2.77Å; D422-R484 PolarHBondContact OD1-NH2 3.39Å; D422-R484 IonicContact OD2-CZ 3.98Å; D422-R484 IonicContact OD2-NE 3.55Å; D422-R484 IonicContact OD2-NH2 3.36Å; D422-R484 PolarHBondContact OD2-NH2 3.43Å |
| 423 | K | 85.7 | Confident | 86 | Confident | 132 Ų | 132 | 53.5 Ų | 53.5 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 178.1 | -67.1 | 175.6 | -176.5 | 175.5 | 0 | 112.2 | S419 S420 K427 | S419-K423 PolarHBondContact O-N 3.12Å; S420-K423 PolarHBondContact O-N 3.05Å; K423-K427 PolarHBondContact O-N 2.96Å; K423-K427 VanDerWaalsContact O-N 3.13Å |
| 424 | Q | 86.2 | Confident | 86.2 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 175.2 | -70.9 | 174.7 | 44.9 | 0 | 0 | 111.6 | S420 V421 D422 K427 A428 | S420-Q424 WeakPolarHBondContact O-CG 3.43Å; S420-Q424 PolarHBondContact O-N 3.16Å; S420-Q424 VanDerWaalsContact O-N 3.12Å; S420-Q424 PolarHBondContact OG-NE2 3.45Å; V421-Q424 PolarHBondContact O-N 3.13Å; D422-Q424 VanDerWaalsContact C-N 3.31Å; D422-Q424 PolarHBondContact O-N 3.14Å; Q424-K427 PolarHBondContact O-N 3.05Å; Q424-A428 WeakPolarHBondContact O-CB 3.38Å; Q424-A428 PolarHBondContact O-N 3.13Å |
| 425 | L | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -51.9 | 173.7 | 171.9 | 65.5 | 0 | 0 | 0 | 110.7 | Y239 Y242 F243 V415 V421 D422 K427 A428 I429 | Y239-L425 HydrophobicContact CE1-CD2 4.11Å; Y239-L425 HydrophobicContact CE1-CG 4.27Å; Y242-L425 HydrophobicContact CD1-CD1 3.33Å; Y242-L425 HydrophobicContact CE1-CD1 3.22Å; Y242-L425 HydrophobicContact CG-CD1 4.24Å; F243-L425 HydrophobicContact CE1-CD1 4.12Å; F243-L425 HydrophobicContact CE1-CD2 4.24Å; F243-L425 HydrophobicContact CZ-CD1 4.41Å; F243-L425 HydrophobicContact CZ-CD2 4.1Å; V415-L425 HydrophobicContact CG2-CD2 4.3Å; V421-L425 WeakPolarHBondContact O-CB 3.47Å; V421-L425 PolarHBondContact O-N 3.32Å; D422-L425 WeakPolarHBondContact O-CB 3.42Å; D422-L425 PolarHBondContact O-N 2.94Å; L425-K427 VanDerWaalsContact C-N 3.31Å; L425-K427 PolarHBondContact O-N 3.16Å; L425-A428 PolarHBondContact O-N 3.41Å; L425-A428 VanDerWaalsContact O-N 3.12Å; L425-I429 HydrophobicContact CD1-CD1 4.28Å; L425-I429 HydrophobicContact CD1-CG1 3.97Å; L425-I429 HydrophobicContact CG-CG1 4.35Å; L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.39Å; L425-I429 PolarHBondContact O-N 2.9Å |
| 426 | E | 86.5 | Confident | 87 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.4 | -46.5 | 178.5 | -76.6 | -172.7 | 152.9 | 0 | 0 | 111.6 | D422 A428 I429 E430 R484 | D422-E426 WeakPolarHBondContact O-CG 3.38Å; D422-E426 PolarHBondContact O-N 3.48Å; E426-A428 PolarHBondContact O-N 3.48Å; E426-I429 PolarHBondContact O-N 2.88Å; E426-E430 PolarHBondContact O-N 3.22Å; E426-R484 HydrophobicContact CG-CB 4.27Å; E426-R484 WeakPolarHBondContact OE1-CB 3.16Å; E426-R484 PolarHBondContact OE1-N 2.7Å |
| 427 | K | 88.4 | Confident | 87.5 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 177 | -174.4 | -177.6 | 176.2 | -173.3 | 0 | 112.1 | K423 Q424 L425 I429 E430 E431 | K423-K427 PolarHBondContact O-N 2.96Å; K423-K427 VanDerWaalsContact O-N 3.13Å; Q424-K427 PolarHBondContact O-N 3.05Å; L425-K427 VanDerWaalsContact C-N 3.31Å; L425-K427 PolarHBondContact O-N 3.16Å; K427-I429 VanDerWaalsContact C-N 3.31Å; K427-I429 PolarHBondContact O-N 3.17Å; K427-E430 PolarHBondContact O-N 2.83Å; K427-E431 WeakPolarHBondContact CE-OE1 3.26Å; K427-E431 PolarHBondContact O-N 2.97Å; K427-E431 VanDerWaalsContact O-N 3.14Å |
| 428 | A | 89.1 | Confident | 88.4 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -33.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y242 Q424 L425 E426 L432 | Y242-A428 HydrophobicContact CD2-CB 4.18Å; Y242-A428 HydrophobicContact CE2-CB 3.46Å; Y242-A428 VanDerWaalsContact CE2-CB 3.46Å; Q424-A428 WeakPolarHBondContact O-CB 3.38Å; Q424-A428 PolarHBondContact O-N 3.13Å; L425-A428 PolarHBondContact O-N 3.41Å; L425-A428 VanDerWaalsContact O-N 3.12Å; E426-A428 PolarHBondContact O-N 3.48Å; A428-L432 VanDerWaalsContact O-CB 3.32Å; A428-L432 WeakPolarHBondContact O-CB 3.46Å; A428-L432 PolarHBondContact O-N 3.37Å; A428-L432 VanDerWaalsContact O-N 3.16Å |
| 429 | I | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 172.9 | -66.7 | -60.6 | 0 | 0 | 0 | 110.4 | Y239 Y242 L425 E426 K427 E431 L432 N433 | Y239-I429 HydrophobicContact CD1-CD1 4.08Å; Y239-I429 HydrophobicContact CD1-CG1 4.13Å; Y239-I429 HydrophobicContact CD2-CD1 4.32Å; Y239-I429 HydrophobicContact CD2-CG1 4.4Å; Y239-I429 HydrophobicContact CD2-CG2 4.16Å; Y239-I429 HydrophobicContact CE1-CD1 4.39Å; Y239-I429 HydrophobicContact CE1-CG1 3.92Å; Y239-I429 HydrophobicContact CE2-CB 4.5Å; Y239-I429 HydrophobicContact CE2-CG1 4.18Å; Y239-I429 HydrophobicContact CE2-CG2 3.76Å; Y239-I429 HydrophobicContact CG-CD1 4.05Å; Y239-I429 HydrophobicContact CG-CG1 4.37Å; Y242-I429 VanDerWaalsContact CB-CD1 3.48Å; Y242-I429 HydrophobicContact CD1-CD1 4.36Å; Y242-I429 HydrophobicContact CD2-CD1 4.43Å; Y242-I429 HydrophobicContact CG-CD1 3.86Å; L425-I429 HydrophobicContact CD1-CD1 4.28Å; L425-I429 HydrophobicContact CD1-CG1 3.97Å; L425-I429 HydrophobicContact CG-CG1 4.35Å; L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.39Å; L425-I429 PolarHBondContact O-N 2.9Å; E426-I429 PolarHBondContact O-N 2.88Å; K427-I429 VanDerWaalsContact C-N 3.31Å; K427-I429 PolarHBondContact O-N 3.17Å; I429-E431 VanDerWaalsContact C-N 3.34Å; I429-E431 PolarHBondContact O-N 2.92Å; I429-L432 PolarHBondContact O-N 3.24Å; I429-L432 VanDerWaalsContact O-N 3.13Å; I429-N433 VanDerWaalsContact O-CB 3.28Å; I429-N433 WeakPolarHBondContact O-CB 3.42Å; I429-N433 PolarHBondContact O-N 3.05Å |
| 430 | E | 88.5 | Confident | 89.6 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.4 | -47 | 178.6 | -175.3 | 170.7 | -156.1 | 0 | 0 | 111.8 | E426 K427 L432 N433 | E426-E430 PolarHBondContact O-N 3.22Å; K427-E430 PolarHBondContact O-N 2.83Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 3.01Å; E430-N433 PolarHBondContact O-N 3.47Å |
| 431 | E | 90.5 | Very high | 89.8 | Confident | 135 Ų | 135 | 55.6 Ų | 55.6 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 176.3 | -69.5 | 173 | -170.3 | 0 | 0 | 112.4 | K427 I429 | K427-E431 WeakPolarHBondContact CE-OE1 3.26Å; K427-E431 PolarHBondContact O-N 2.97Å; K427-E431 VanDerWaalsContact O-N 3.14Å; I429-E431 VanDerWaalsContact C-N 3.34Å; I429-E431 PolarHBondContact O-N 2.92Å |
| 432 | L | 90.9 | Very high | 90.1 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.1 | -28.3 | -179.3 | -177.7 | 63.6 | 0 | 0 | 0 | 113 | V241 F302 A428 I429 E430 I434 G435 V436 | V241-L432 HydrophobicContact CB-CD2 4.11Å; V241-L432 HydrophobicContact CG1-CD1 4.36Å; V241-L432 HydrophobicContact CG1-CD2 3.8Å; F302-L432 HydrophobicContact CD1-CD1 4.04Å; F302-L432 HydrophobicContact CE1-CD1 4.06Å; A428-L432 VanDerWaalsContact O-CB 3.32Å; A428-L432 WeakPolarHBondContact O-CB 3.46Å; A428-L432 PolarHBondContact O-N 3.37Å; A428-L432 VanDerWaalsContact O-N 3.16Å; I429-L432 PolarHBondContact O-N 3.24Å; I429-L432 VanDerWaalsContact O-N 3.13Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 3.01Å; L432-I434 VanDerWaalsContact C-N 3.3Å; L432-I434 PolarHBondContact O-N 3.47Å; L432-G435 PolarHBondContact O-N 3.41Å; L432-V436 HydrophobicContact CD1-CG2 3.89Å; L432-V436 HydrophobicContact CD2-CG2 4.25Å; L432-V436 HydrophobicContact CG-CG2 3.66Å; L432-V436 WeakPolarHBondContact O-CG2 3.4Å; L432-V436 PolarHBondContact O-N 3.24Å; L432-V436 VanDerWaalsContact O-N 3.11Å |
| 433 | N | 90.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | -166.3 | -159.2 | 25.9 | 0 | 0 | 0 | 112.9 | E235 S238 I429 E430 V436 K437 | E235-N433 PolarHBondContact OE1-ND2 3.36Å; S238-N433 PolarHBondContact OG-OD1 3.49Å; I429-N433 VanDerWaalsContact O-CB 3.28Å; I429-N433 WeakPolarHBondContact O-CB 3.42Å; I429-N433 PolarHBondContact O-N 3.05Å; E430-N433 PolarHBondContact O-N 3.47Å; N433-V436 PolarHBondContact O-N 3.04Å; N433-K437 WeakPolarHBondContact ND2-CE 3.17Å; N433-K437 PolarHBondContact ND2-NZ 3.16Å; N433-K437 WeakPolarHBondContact O-CB 3.36Å; N433-K437 WeakPolarHBondContact O-CG 3.18Å; N433-K437 PolarHBondContact O-N 3.01Å; N433-K437 WeakPolarHBondContact OD1-CE 3.39Å |
| 434 | I | 90.4 | Very high | 90.6 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.9 | -56.2 | -178.5 | -60.5 | 172.6 | 0 | 0 | 0 | 109.8 | L432 V436 K437 E438 | L432-I434 VanDerWaalsContact C-N 3.3Å; L432-I434 PolarHBondContact O-N 3.47Å; I434-V436 VanDerWaalsContact C-N 3.32Å; I434-V436 PolarHBondContact O-N 3.28Å; I434-K437 PolarHBondContact O-N 3.45Å; I434-E438 PolarHBondContact O-N 3.26Å |
| 435 | G | 93.6 | Very high | 90.8 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L432 E438 A439 | L432-G435 PolarHBondContact O-N 3.41Å; G435-E438 PolarHBondContact O-N 3.5Å; G435-A439 VanDerWaalsContact O-CB 3.27Å; G435-A439 WeakPolarHBondContact O-CB 3.3Å; G435-A439 PolarHBondContact O-N 3.18Å |
| 436 | V | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | D237 S238 V241 L298 F302 L432 N433 I434 A439 S440 | D237-V436 HydrophobicContact CB-CG1 3.58Å; S238-V436 WeakPolarHBondContact OG-CG1 3.23Å; V241-V436 HydrophobicContact CB-CG2 4.37Å; V241-V436 HydrophobicContact CG1-CG2 4.44Å; V241-V436 HydrophobicContact CG2-CG2 4.18Å; L298-V436 HydrophobicContact CD1-CG1 4.33Å; L298-V436 HydrophobicContact CD2-CG1 4.44Å; F302-V436 HydrophobicContact CD1-CG2 4.34Å; F302-V436 HydrophobicContact CD2-CG2 4.37Å; F302-V436 HydrophobicContact CE1-CG2 3.87Å; F302-V436 HydrophobicContact CE2-CG2 3.91Å; F302-V436 HydrophobicContact CZ-CB 4.31Å; F302-V436 HydrophobicContact CZ-CG2 3.65Å; L432-V436 HydrophobicContact CD1-CG2 3.89Å; L432-V436 HydrophobicContact CD2-CG2 4.25Å; L432-V436 HydrophobicContact CG-CG2 3.66Å; L432-V436 WeakPolarHBondContact O-CG2 3.4Å; L432-V436 PolarHBondContact O-N 3.24Å; L432-V436 VanDerWaalsContact O-N 3.11Å; N433-V436 PolarHBondContact O-N 3.04Å; I434-V436 VanDerWaalsContact C-N 3.32Å; I434-V436 PolarHBondContact O-N 3.28Å; V436-A439 PolarHBondContact O-N 2.6Å; V436-S440 WeakPolarHBondContact O-CB 3.39Å; V436-S440 PolarHBondContact O-N 3.41Å |
| 437 | K | 90.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 176.6 | -78.5 | 178.4 | 175.7 | 176.3 | 0 | 111.8 | N433 I434 A439 S440 L441 I473 | N433-K437 WeakPolarHBondContact ND2-CE 3.17Å; N433-K437 PolarHBondContact ND2-NZ 3.16Å; N433-K437 WeakPolarHBondContact O-CB 3.36Å; N433-K437 WeakPolarHBondContact O-CG 3.18Å; N433-K437 PolarHBondContact O-N 3.01Å; N433-K437 WeakPolarHBondContact OD1-CE 3.39Å; I434-K437 PolarHBondContact O-N 3.45Å; K437-A439 PolarHBondContact O-N 3.41Å; K437-S440 PolarHBondContact O-N 2.87Å; K437-L441 PolarHBondContact O-N 2.91Å; K437-I473 HydrophobicContact CG-CD1 4.33Å |
| 438 | E | 93.4 | Very high | 90.6 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.3 | -69.9 | 179.4 | 174.8 | 0 | 0 | 112.4 | I434 G435 L441 R442 | I434-E438 PolarHBondContact O-N 3.26Å; G435-E438 PolarHBondContact O-N 3.5Å; E438-L441 PolarHBondContact O-N 3.03Å; E438-R442 WeakPolarHBondContact O-CG 3.2Å; E438-R442 PolarHBondContact O-N 3.18Å; E438-R442 VanDerWaalsContact O-N 3.12Å; E438-R442 PolarHBondContact O-NE 3.01Å |
| 439 | A | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L298 F302 G435 V436 K437 R442 A443 | L298-A439 HydrophobicContact CD1-CB 3.53Å; F302-A439 HydrophobicContact CE2-CB 3.5Å; F302-A439 HydrophobicContact CZ-CB 3.86Å; G435-A439 VanDerWaalsContact O-CB 3.27Å; G435-A439 WeakPolarHBondContact O-CB 3.3Å; G435-A439 PolarHBondContact O-N 3.18Å; V436-A439 PolarHBondContact O-N 2.6Å; K437-A439 PolarHBondContact O-N 3.41Å; A439-R442 PolarHBondContact O-N 2.92Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 3.14Å |
| 440 | S | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 178.3 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | D237 R294 V436 K437 A443 N444 | D237-S440 PolarHBondContact OD2-OG 3.49Å; R294-S440 PolarHBondContact NH1-OG 3.12Å; V436-S440 WeakPolarHBondContact O-CB 3.39Å; V436-S440 PolarHBondContact O-N 3.41Å; K437-S440 PolarHBondContact O-N 2.87Å; S440-A443 PolarHBondContact O-N 3.11Å; S440-N444 WeakPolarHBondContact O-CB 3.37Å; S440-N444 PolarHBondContact O-N 3.09Å; S440-N444 PolarHBondContact O-ND2 3.25Å |
| 441 | L | 90.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.1 | -177.1 | 65.8 | 0 | 0 | 0 | 111.7 | K437 E438 A443 N444 Q445 N474 | K437-L441 PolarHBondContact O-N 2.91Å; E438-L441 PolarHBondContact O-N 3.03Å; L441-A443 VanDerWaalsContact C-N 3.34Å; L441-A443 PolarHBondContact O-N 3.06Å; L441-N444 WeakPolarHBondContact O-CB 3.01Å; L441-N444 PolarHBondContact O-N 2.95Å; L441-Q445 WeakPolarHBondContact O-CG 3.47Å; L441-Q445 PolarHBondContact O-N 2.82Å; L441-N474 WeakPolarHBondContact CD1-ND2 3.27Å |
| 442 | R | 92.2 | Very high | 88.6 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.9 | -73.9 | -176.4 | -77.4 | 140 | -2.5 | 112 | Q301 E438 A439 Q445 A446 | Q301-R442 VanDerWaalsContact OE1-NH2 3.16Å; E438-R442 WeakPolarHBondContact O-CG 3.2Å; E438-R442 PolarHBondContact O-N 3.18Å; E438-R442 VanDerWaalsContact O-N 3.12Å; E438-R442 PolarHBondContact O-NE 3.01Å; A439-R442 PolarHBondContact O-N 2.92Å; R442-Q445 PolarHBondContact O-N 3.29Å; R442-A446 WeakPolarHBondContact O-CB 3.49Å; R442-A446 PolarHBondContact O-N 3.43Å |
| 443 | A | 91.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R294 L297 A439 S440 L441 A446 V447 | R294-A443 HydrophobicContact CG-CB 4.02Å; L297-A443 HydrophobicContact CB-CB 3.89Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 3.14Å; S440-A443 PolarHBondContact O-N 3.11Å; L441-A443 VanDerWaalsContact C-N 3.34Å; L441-A443 PolarHBondContact O-N 3.06Å; A443-A446 PolarHBondContact O-N 3.27Å; A443-V447 WeakPolarHBondContact O-CG2 3.18Å; A443-V447 PolarHBondContact O-N 3.26Å |
| 444 | N | 89.3 | Confident | 86.6 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 175 | -85.9 | -29.6 | 0 | 0 | 0 | 111.7 | R294 S440 L441 A446 V447 E448 N472 | R294-N444 WeakPolarHBondContact CD-OD1 3.19Å; R294-N444 WeakPolarHBondContact CG-OD1 3.45Å; S440-N444 WeakPolarHBondContact O-CB 3.37Å; S440-N444 PolarHBondContact O-N 3.09Å; S440-N444 PolarHBondContact O-ND2 3.25Å; L441-N444 WeakPolarHBondContact O-CB 3.01Å; L441-N444 PolarHBondContact O-N 2.95Å; N444-A446 VanDerWaalsContact C-N 3.3Å; N444-A446 PolarHBondContact O-N 3.15Å; N444-V447 PolarHBondContact O-N 3.14Å; N444-E448 PolarHBondContact O-N 3.46Å; N444-N472 PolarHBondContact ND2-ND2 3.39Å; N444-N472 PolarHBondContact ND2-OD1 3.13Å |
| 445 | Q | 90.6 | Very high | 85.3 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 177.4 | -69.3 | 170.3 | -12.3 | 0 | 0 | 111.8 | L441 R442 E448 S449 | L441-Q445 WeakPolarHBondContact O-CG 3.47Å; L441-Q445 PolarHBondContact O-N 2.82Å; R442-Q445 PolarHBondContact O-N 3.29Å; Q445-E448 PolarHBondContact O-N 3.27Å; Q445-S449 PolarHBondContact O-N 3.45Å; Q445-S449 PolarHBondContact O-OG 3.48Å |
| 446 | A | 89.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L297 R442 A443 N444 E448 S449 M450 | L297-A446 HydrophobicContact CD1-CB 3.69Å; R442-A446 WeakPolarHBondContact O-CB 3.49Å; R442-A446 PolarHBondContact O-N 3.43Å; A443-A446 PolarHBondContact O-N 3.27Å; N444-A446 VanDerWaalsContact C-N 3.3Å; N444-A446 PolarHBondContact O-N 3.15Å; A446-E448 PolarHBondContact O-N 3.36Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.83Å; A446-M450 WeakPolarHBondContact O-CG 3.23Å; A446-M450 PolarHBondContact O-N 3.28Å |
| 447 | V | 86.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | V290 N293 R294 L297 A443 N444 M450 R451 | V290-V447 HydrophobicContact CG1-CG1 3.75Å; N293-V447 HydrophobicContact CB-CG2 3.93Å; R294-V447 HydrophobicContact CB-CG2 4.22Å; L297-V447 HydrophobicContact CD1-CG2 4.11Å; A443-V447 WeakPolarHBondContact O-CG2 3.18Å; A443-V447 PolarHBondContact O-N 3.26Å; N444-V447 PolarHBondContact O-N 3.14Å; V447-M450 HydrophobicContact CB-CE 4.48Å; V447-M450 HydrophobicContact CG2-CE 4.06Å; V447-M450 PolarHBondContact O-N 3.41Å; V447-R451 WeakPolarHBondContact O-CG 3.28Å; V447-R451 PolarHBondContact O-N 2.85Å |
| 448 | E | 84.7 | Confident | 79.9 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 178.2 | -160.6 | -171.6 | 151.2 | 0 | 0 | 111.9 | N444 Q445 A446 M450 R451 K452 | N444-E448 PolarHBondContact O-N 3.46Å; Q445-E448 PolarHBondContact O-N 3.27Å; A446-E448 PolarHBondContact O-N 3.36Å; E448-M450 PolarHBondContact O-N 2.82Å; E448-R451 WeakPolarHBondContact O-CB 3.32Å; E448-R451 PolarHBondContact O-N 2.67Å; E448-K452 WeakPolarHBondContact O-CG 3.38Å; E448-K452 PolarHBondContact O-N 3.44Å; E448-K452 WeakPolarHBondContact OE1-CE 3.32Å; E448-K452 IonicContact OE1-NZ 2.73Å; E448-K452 PolarHBondContact OE1-NZ 3.13Å |
| 449 | S | 84.9 | Confident | 77.9 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 42% | 0.42 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | Q445 A446 R451 K452 R453 | Q445-S449 PolarHBondContact O-N 3.45Å; Q445-S449 PolarHBondContact O-OG 3.48Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.83Å; S449-R451 VanDerWaalsContact C-N 3.35Å; S449-R451 PolarHBondContact O-N 3.06Å; S449-K452 PolarHBondContact O-N 2.82Å; S449-R453 WeakPolarHBondContact O-CG 3.42Å; S449-R453 PolarHBondContact O-N 2.9Å; S449-R453 VanDerWaalsContact O-N 3.1Å |
| 450 | M | 77.5 | Confident | 75.4 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 44% | 0.443 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 173.7 | -74.4 | -171.7 | -72.6 | 0 | 0 | 111.5 | L297 A446 V447 E448 K452 R453 V454 | L297-M450 HydrophobicContact CD1-CE 4.12Å; A446-M450 WeakPolarHBondContact O-CG 3.23Å; A446-M450 PolarHBondContact O-N 3.28Å; V447-M450 HydrophobicContact CB-CE 4.48Å; V447-M450 HydrophobicContact CG2-CE 4.06Å; V447-M450 PolarHBondContact O-N 3.41Å; E448-M450 PolarHBondContact O-N 2.82Å; M450-K452 PolarHBondContact O-N 3.41Å; M450-R453 PolarHBondContact O-N 2.79Å; M450-V454 WeakPolarHBondContact O-CG2 3.47Å; M450-V454 PolarHBondContact O-N 3.32Å |
| 451 | R | 76.3 | Confident | 73.2 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.3 | -77.4 | 173.2 | 155.9 | -143.2 | -24.4 | 112.6 | V447 E448 S449 R453 V454 K455 | V447-R451 WeakPolarHBondContact O-CG 3.28Å; V447-R451 PolarHBondContact O-N 2.85Å; E448-R451 WeakPolarHBondContact O-CB 3.32Å; E448-R451 PolarHBondContact O-N 2.67Å; S449-R451 VanDerWaalsContact C-N 3.35Å; S449-R451 PolarHBondContact O-N 3.06Å; R451-R453 VanDerWaalsContact C-N 3.3Å; R451-R453 PolarHBondContact O-N 3.48Å; R451-V454 PolarHBondContact O-N 3.25Å; R451-K455 PolarHBondContact O-N 3.5Å |
| 452 | K | 77.2 | Confident | 70.8 | Confident | 131 Ų | 131 | 91 Ų | 91 | 57% | 0.57 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 176.5 | -72 | 175.1 | -176.7 | 168.1 | 0 | 111.2 | E448 S449 M450 K455 S456 | E448-K452 WeakPolarHBondContact O-CG 3.38Å; E448-K452 PolarHBondContact O-N 3.44Å; E448-K452 WeakPolarHBondContact OE1-CE 3.32Å; E448-K452 IonicContact OE1-NZ 2.73Å; E448-K452 PolarHBondContact OE1-NZ 3.13Å; S449-K452 PolarHBondContact O-N 2.82Å; M450-K452 PolarHBondContact O-N 3.41Å; K452-K455 PolarHBondContact O-N 2.98Å; K452-S456 PolarHBondContact O-N 3.25Å; K452-S456 VanDerWaalsContact O-N 3.09Å |
| 453 | R | 72.7 | Confident | 68.3 | Low | 179 Ų | 179 | 89.5 Ų | 89.5 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.1 | -32.3 | 176.6 | -68.7 | 174.6 | 74.3 | 169.2 | 5.3 | 114.3 | S449 M450 R451 S456 K457 | S449-R453 WeakPolarHBondContact O-CG 3.42Å; S449-R453 PolarHBondContact O-N 2.9Å; S449-R453 VanDerWaalsContact O-N 3.1Å; M450-R453 PolarHBondContact O-N 2.79Å; R451-R453 VanDerWaalsContact C-N 3.3Å; R451-R453 PolarHBondContact O-N 3.48Å; R453-S456 PolarHBondContact O-OG 3.11Å; R453-K457 PolarHBondContact O-N 3.34Å |
| 454 | V | 66.1 | Low | 65.6 | Low | 56 Ų | 56 | 91.7 Ų | 91.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.4 | -42.1 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | M450 R451 S456 K457 V459 I461 | M450-V454 WeakPolarHBondContact O-CG2 3.47Å; M450-V454 PolarHBondContact O-N 3.32Å; R451-V454 PolarHBondContact O-N 3.25Å; V454-S456 VanDerWaalsContact C-N 3.34Å; V454-S456 PolarHBondContact O-N 3.38Å; V454-K457 PolarHBondContact O-N 2.93Å; V454-V459 HydrophobicContact CG1-CB 3.84Å; V454-V459 HydrophobicContact CG1-CG1 4.12Å; V454-I461 HydrophobicContact CB-CD1 4.25Å; V454-I461 HydrophobicContact CG1-CD1 3.85Å; V454-I461 HydrophobicContact CG1-CG1 3.94Å |
| 455 | K | 64 | Low | 63 | Low | 153 Ų | 153 | 97.6 Ų | 97.6 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 175 | -73.6 | -174.2 | 176.6 | -172.4 | 0 | 112.1 | R451 K452 K457 G458 | R451-K455 PolarHBondContact O-N 3.5Å; K452-K455 PolarHBondContact O-N 2.98Å; K455-K457 PolarHBondContact O-N 3.5Å; K455-G458 PolarHBondContact O-N 2.79Å; K455-G458 VanDerWaalsContact O-N 3.16Å |
| 456 | S | 62.2 | Low | 60.4 | Low | 98 Ų | 98 | 97.9 Ų | 97.9 | 69% | 0.685 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -19.9 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 114 | K452 R453 V454 G458 | K452-S456 PolarHBondContact O-N 3.25Å; K452-S456 VanDerWaalsContact O-N 3.09Å; R453-S456 PolarHBondContact O-OG 3.11Å; V454-S456 VanDerWaalsContact C-N 3.34Å; V454-S456 PolarHBondContact O-N 3.38Å; S456-G458 VanDerWaalsContact C-N 3.3Å |
| 457 | K | 59.3 | Low | 58 | Low | 169 Ų | 169 | 98.5 Ų | 98.5 | 74% | 0.735 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 10.2 | 174.4 | -72.1 | -173.1 | 175.1 | -169.1 | 0 | 114 | R453 V454 K455 V459 | R453-K457 PolarHBondContact O-N 3.34Å; V454-K457 PolarHBondContact O-N 2.93Å; K455-K457 PolarHBondContact O-N 3.5Å; K457-V459 HydrophobicContact CB-CG2 4.47Å; K457-V459 PolarHBondContact O-N 3.26Å |
| 458 | G | 43.2 | Very low | 56 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K455 S456 T460 | K455-G458 PolarHBondContact O-N 2.79Å; K455-G458 VanDerWaalsContact O-N 3.16Å; S456-G458 VanDerWaalsContact C-N 3.3Å; G458-T460 PolarHBondContact O-N 3.37Å |
| 459 | V | 51.4 | Low | 54.4 | Low | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.527 | 56% | 0.56 | S | S | . | * | trans | -82.9 | 112.6 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 109 | V454 K457 I461 | V454-V459 HydrophobicContact CG1-CB 3.84Å; V454-V459 HydrophobicContact CG1-CG1 4.12Å; K457-V459 HydrophobicContact CB-CG2 4.47Å; K457-V459 PolarHBondContact O-N 3.26Å; V459-I461 PolarHBondContact O-N 3.38Å; V459-I461 VanDerWaalsContact O-N 3.17Å | ||
| 460 | T | 42.6 | Very low | 52.7 | Low | 118 Ų | 118 | 101.9 Ų | 101.9 | 72% | 0.724 | 55% | 0.546 | S | S | * | . | trans | -67.3 | 110.3 | 176.4 | -41.4 | 0 | 0 | 0 | 0 | 110.4 | G458 F462 | G458-T460 PolarHBondContact O-N 3.37Å; T460-F462 PolarHBondContact O-N 2.88Å | ||
| 461 | I | 46 | Very low | 51.2 | Low | 45 Ų | 45 | 100.1 Ų | 100.1 | 23% | 0.231 | 54% | 0.542 | C | S | . | . | trans | -82.2 | 105.4 | 171 | -57.7 | 175.7 | 0 | 0 | 0 | 107.5 | V454 V459 T463 | V454-I461 HydrophobicContact CB-CD1 4.25Å; V454-I461 HydrophobicContact CG1-CD1 3.85Å; V454-I461 HydrophobicContact CG1-CG1 3.94Å; V459-I461 PolarHBondContact O-N 3.38Å; V459-I461 VanDerWaalsContact O-N 3.17Å; I461-T463 PolarHBondContact O-N 3.25Å; I461-T463 VanDerWaalsContact O-N 3.13Å | ||
| 462 | F | 40.1 | Very low | 50.1 | Low | 170 Ų | 170 | 98.3 Ų | 98.3 | 75% | 0.746 | 54% | 0.538 | S | S | * | . | trans | -68.8 | 105 | 168.2 | -106.2 | -94.7 | 0 | 0 | 0 | 109.2 | R289 T460 | R289-F462 PolarHBondContact NH1-O 3.47Å; R289-F462 PolarHBondContact NH2-O 3.27Å; T460-F462 PolarHBondContact O-N 2.88Å | ||
| 463 | T | 38.3 | Very low | 48.9 | Very low | 96 Ų | 96 | 92.8 Ų | 92.8 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | trans | -76.5 | 120.2 | 160.7 | 44.6 | 0 | 0 | 0 | 0 | 107.7 | I461 | I461-T463 PolarHBondContact O-N 3.25Å; I461-T463 VanDerWaalsContact O-N 3.13Å | ||
| 464 | A | 35.2 | Very low | 47.7 | Very low | 49 Ų | 49 | 88.1 Ų | 88.1 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | trans | -72 | 149.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | D466 D467 | A464-D466 PolarHBondContact O-N 2.88Å; A464-D467 PolarHBondContact N-OD2 3.32Å; A464-D467 VanDerWaalsContact N-OD2 3.14Å; A464-D467 WeakPolarHBondContact O-CB 3.44Å; A464-D467 PolarHBondContact O-N 3.45Å | ||
| 465 | V | 35.2 | Very low | 46.9 | Very low | 147 Ų | 147 | 91.3 Ų | 91.3 | 89% | 0.891 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.8 | 178.5 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 466 | D | 36.2 | Very low | 46.3 | Very low | 120 Ų | 120 | 85.2 Ų | 85.2 | 64% | 0.642 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.3 | 177.1 | -55.5 | -34.8 | 0 | 0 | 0 | 114.6 | A464 L468 | A464-D466 PolarHBondContact O-N 2.88Å; D466-L468 PolarHBondContact O-N 3.03Å |
| 467 | D | 38.5 | Very low | 45.3 | Very low | 46 Ų | 46 | 85.5 Ų | 85.5 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | trans | -76.8 | 55.4 | 174.3 | -85.2 | -46.1 | 0 | 0 | 0 | 111.5 | A464 P469 | A464-D467 PolarHBondContact N-OD2 3.32Å; A464-D467 VanDerWaalsContact N-OD2 3.14Å; A464-D467 WeakPolarHBondContact O-CB 3.44Å; A464-D467 PolarHBondContact O-N 3.45Å; D467-P469 WeakPolarHBondContact O-CD 3.33Å | ||
| 468 | L | 43.7 | Very low | 44.7 | Very low | 125 Ų | 125 | 79.9 Ų | 79.9 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | trans | -69 | 111.4 | 165 | -78.3 | 170.4 | 0 | 0 | 0 | 108.1 | R287 D466 T470 | R287-L468 WeakPolarHBondContact CD-O 3.32Å; D466-L468 PolarHBondContact O-N 3.03Å; L468-T470 PolarHBondContact O-N 3.23Å | ||
| 469 | P | 51.7 | Low | 44.8 | Very low | 90 Ų | 90 | 84.8 Ų | 84.8 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 135.6 | -179.2 | 26.7 | -32.4 | 0 | 0 | 0 | 109.2 | D467 P471 | D467-P469 WeakPolarHBondContact O-CD 3.33Å; P469-P471 WeakPolarHBondContact O-CD 3.39Å |
| 470 | T | 49.3 | Very low | 44.5 | Very low | 23 Ų | 23 | 86.8 Ų | 86.8 | 14% | 0.141 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 124.6 | 157.6 | -52.5 | 0 | 0 | 0 | 0 | 106.3 | Q233 D356 L468 N472 | Q233-T470 VanDerWaalsContact NE2-CG2 3.29Å; D356-T470 WeakPolarHBondContact OD1-CB 3.3Å; D356-T470 WeakPolarHBondContact OD1-CG2 3.49Å; D356-T470 PolarHBondContact OD1-OG1 2.9Å; D356-T470 PolarHBondContact OD2-OG1 3.42Å; L468-T470 PolarHBondContact O-N 3.23Å; T470-N472 PolarHBondContact O-N 2.97Å |
| 471 | P | 45.9 | Very low | 44.6 | Very low | 53 Ų | 53 | 84.6 Ų | 84.6 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 130.7 | -179.6 | -28 | 34.1 | 0 | 0 | 0 | 110.3 | Q233 P469 I476 | Q233-P471 PolarHBondContact NE2-O 3.23Å; P469-P471 WeakPolarHBondContact O-CD 3.39Å; P471-I476 HydrophobicContact CB-CD1 3.85Å; P471-I476 HydrophobicContact CB-CG1 4.42Å |
| 472 | N | 52.6 | Low | 44.7 | Very low | 44 Ų | 44 | 85.8 Ų | 85.8 | 24% | 0.235 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -64 | 146.6 | -179.1 | -164.5 | -12.2 | 0 | 0 | 0 | 108.9 | N444 T470 N474 D475 | N444-N472 PolarHBondContact ND2-ND2 3.39Å; N444-N472 PolarHBondContact ND2-OD1 3.13Å; T470-N472 PolarHBondContact O-N 2.97Å; N472-N474 PolarHBondContact O-N 3.37Å; N472-D475 HydrophobicContact CB-CB 4.3Å; N472-D475 WeakPolarHBondContact CB-OD2 2.82Å; N472-D475 PolarHBondContact N-OD2 3.44Å; N472-D475 PolarHBondContact O-N 2.96Å |
| 473 | I | 52 | Low | 45.2 | Very low | 15 Ų | 15 | 84.5 Ų | 84.5 | 8% | 0.077 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.7 | 174.5 | -161.3 | 166.9 | 0 | 0 | 0 | 111.6 | C234 D237 K437 | C234-I473 WeakPolarHBondContact O-CD1 3.39Å; C234-I473 WeakPolarHBondContact O-CG1 3.37Å; D237-I473 HydrophobicContact CB-CD1 4.39Å; K437-I473 HydrophobicContact CG-CD1 4.33Å |
| 474 | N | 48.1 | Very low | 45.9 | Very low | 82 Ų | 82 | 81.4 Ų | 81.4 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -16.2 | 179.6 | -63.1 | -19.8 | 0 | 0 | 0 | 114.2 | L441 N472 I476 | L441-N474 WeakPolarHBondContact CD1-ND2 3.27Å; N472-N474 PolarHBondContact O-N 3.37Å; N474-I476 VanDerWaalsContact C-N 3.28Å |
| 475 | D | 49.1 | Very low | 46.5 | Very low | 122 Ų | 122 | 80.6 Ų | 80.6 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -85.9 | -4.8 | -177 | -61.1 | -23.9 | 0 | 0 | 0 | 112 | N472 | N472-D475 HydrophobicContact CB-CB 4.3Å; N472-D475 WeakPolarHBondContact CB-OD2 2.82Å; N472-D475 PolarHBondContact N-OD2 3.44Å; N472-D475 PolarHBondContact O-N 2.96Å |
| 476 | I | 51.3 | Low | 47.1 | Very low | 26 Ų | 26 | 76.2 Ų | 76.2 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -120.5 | 110.1 | -177.4 | -55.5 | 170.1 | 0 | 0 | 0 | 108.6 | Q233 Y387 P471 N474 T478 E490 | Q233-I476 HydrophobicContact CB-CD1 4.19Å; Q233-I476 HydrophobicContact CG-CD1 3.6Å; Y387-I476 HydrophobicContact CE2-CD1 3.74Å; P471-I476 HydrophobicContact CB-CD1 3.85Å; P471-I476 HydrophobicContact CB-CG1 4.42Å; N474-I476 VanDerWaalsContact C-N 3.28Å; I476-T478 PolarHBondContact O-N 3.35Å; I476-E490 VanDerWaalsContact CG2-OE2 3.31Å; I476-E490 WeakPolarHBondContact CG2-OE2 3.35Å |
| 477 | A | 42.2 | Very low | 47.6 | Very low | 103 Ų | 103 | 75 Ų | 75 | 85% | 0.851 | 43% | 0.43 | S | S | * | . | trans | -67.8 | 104 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 478 | T | 46.3 | Very low | 48.1 | Very low | 51 Ų | 51 | 73.9 Ų | 73.9 | 31% | 0.313 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 132.2 | 173.2 | 11.8 | 0 | 0 | 0 | 0 | 110.6 | C234 I476 E490 | C234-T478 HydrophobicContact CB-CG2 3.27Å; C234-T478 WeakPolarHBondContact SG-CG2 3.14Å; I476-T478 PolarHBondContact O-N 3.35Å; T478-E490 WeakPolarHBondContact CA-OE1 3.47Å; T478-E490 WeakPolarHBondContact CG2-OE1 3.38Å |
| 479 | K | 44.8 | Very low | 48.3 | Very low | 169 Ų | 169 | 70 Ų | 70 | 74% | 0.735 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 131.9 | 163.1 | -79.2 | -178.9 | -176.6 | -176.4 | 0 | 108.8 | L482 | K479-L482 HydrophobicContact CB-CD1 3.29Å; K479-L482 WeakPolarHBondContact O-CD1 3.18Å |
| 480 | P | 45.1 | Very low | 48.2 | Very low | 129 Ų | 129 | 68.2 Ų | 68.2 | 84% | 0.838 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 140.8 | 174.9 | -20.4 | 30.3 | 0 | 0 | 0 | 111.4 | ||
| 481 | G | 45.9 | Very low | 48.4 | Very low | 71 Ų | 71 | 67.4 Ų | 67.4 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 10.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | K483 | G481-K483 PolarHBondContact O-N 3.48Š|
| 482 | L | 47.6 | Very low | 48.8 | Very low | 70 Ų | 70 | 68.4 Ų | 68.4 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | trans | -78.6 | 106.9 | 174.7 | -81.4 | 90.4 | 0 | 0 | 0 | 111.6 | K479 S489 | K479-L482 HydrophobicContact CB-CD1 3.29Å; K479-L482 WeakPolarHBondContact O-CD1 3.18Å; L482-S489 VanDerWaalsContact CD2-OG 3.3Å; L482-S489 WeakPolarHBondContact CD2-OG 3.46Å | ||
| 483 | K | 50.5 | Low | 49.1 | Very low | 143 Ų | 143 | 70.5 Ų | 70.5 | 62% | 0.622 | 42% | 0.42 | S | S | * | . | trans | -57.8 | 144.2 | 176.1 | -61.3 | -175 | 177.2 | -176.7 | 0 | 111.4 | G481 T485 S486 | G481-K483 PolarHBondContact O-N 3.48Å; K483-T485 PolarHBondContact O-N 3.26Å; K483-S486 PolarHBondContact O-N 3.46Å; K483-S486 PolarHBondContact O-OG 3.02Å | ||
| 484 | R | 52 | Low | 49.5 | Very low | 32 Ų | 32 | 74.4 Ų | 74.4 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -48.5 | -35.3 | 170.1 | -160 | 179.9 | 82.8 | 101.2 | 2.9 | 110.1 | H229 L230 Y239 D422 E426 S486 W487 | H229-R484 PolarHBondContact CE1-NH1 2.99Å; H229-R484 PolarHBondContact NE2-NH1 3.48Å; H229-R484 VanDerWaalsContact NE2-NH1 3.16Å; L230-R484 PolarHBondContact O-NH1 3.43Å; L230-R484 VanDerWaalsContact O-NH1 3.13Å; Y239-R484 WeakPolarHBondContact OH-CD 3.42Å; D422-R484 IonicContact OD1-CZ 3.86Å; D422-R484 IonicContact OD1-NE 2.7Å; D422-R484 PolarHBondContact OD1-NE 3.33Å; D422-R484 IonicContact OD1-NH2 2.77Å; D422-R484 PolarHBondContact OD1-NH2 3.39Å; D422-R484 IonicContact OD2-CZ 3.98Å; D422-R484 IonicContact OD2-NE 3.55Å; D422-R484 IonicContact OD2-NH2 3.36Å; D422-R484 PolarHBondContact OD2-NH2 3.43Å; E426-R484 HydrophobicContact CG-CB 4.27Å; E426-R484 WeakPolarHBondContact OE1-CB 3.16Å; E426-R484 PolarHBondContact OE1-N 2.7Å; R484-S486 VanDerWaalsContact C-N 3.33Å; R484-S486 PolarHBondContact O-N 3.12Å; R484-W487 PolarHBondContact O-N 3.05Å |
| 485 | T | 48.2 | Very low | 50.2 | Low | 32 Ų | 32 | 74 Ų | 74 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -91.5 | 31.8 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | N418 K483 W487 | N418-T485 WeakPolarHBondContact OD1-CB 3.38Å; N418-T485 WeakPolarHBondContact OD1-CG2 3.44Å; K483-T485 PolarHBondContact O-N 3.26Å; T485-W487 VanDerWaalsContact CB-NE1 3.32Å; T485-W487 HydrophobicContact CG2-CZ2 3.72Å; T485-W487 PolarHBondContact O-NE1 2.8Å |
| 486 | S | 47.5 | Very low | 50.8 | Low | 55 Ų | 55 | 72.2 Ų | 72.2 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -110.8 | 15.9 | 150 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | K483 R484 | K483-S486 PolarHBondContact O-N 3.46Å; K483-S486 PolarHBondContact O-OG 3.02Å; R484-S486 VanDerWaalsContact C-N 3.33Å; R484-S486 PolarHBondContact O-N 3.12Å |
| 487 | W | 48.4 | Very low | 51.4 | Low | 95 Ų | 95 | 77.4 Ų | 77.4 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | trans | 45.4 | 89.6 | 154.3 | -40.9 | 64.1 | 0 | 0 | 0 | 114.2 | P417 N418 R484 T485 M503 | P417-W487 HydrophobicContact CB-CH2 3.35Å; P417-W487 HydrophobicContact CB-CZ2 4Å; P417-W487 HydrophobicContact CB-CZ3 3.96Å; P417-W487 HydrophobicContact CG-CH2 4.27Å; P417-W487 HydrophobicContact CG-CZ3 4.43Å; N418-W487 WeakPolarHBondContact ND2-CH2 3.39Å; N418-W487 WeakPolarHBondContact ND2-CZ2 3.48Å; R484-W487 PolarHBondContact O-N 3.05Å; T485-W487 VanDerWaalsContact CB-NE1 3.32Å; T485-W487 HydrophobicContact CG2-CZ2 3.72Å; T485-W487 PolarHBondContact O-NE1 2.8Å; W487-M503 HydrophobicContact CD2-CE 4.13Å; W487-M503 HydrophobicContact CE3-CE 3.25Å; W487-M503 HydrophobicContact CH2-CE 4.46Å; W487-M503 HydrophobicContact CZ3-CE 3.47Å; W487-M503 VanDerWaalsContact CZ3-CE 3.47Å | ||
| 488 | A | 49.2 | Very low | 52.4 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 68.7 | 37.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E490 A491 K496 I499 | A488-E490 PolarHBondContact O-N 3.44Å; A488-A491 HydrophobicContact CB-CB 3.63Å; A488-A491 VanDerWaalsContact O-CB 3.3Å; A488-A491 WeakPolarHBondContact O-CB 3.42Å; A488-A491 PolarHBondContact O-N 3.41Å; A488-K496 HydrophobicContact CB-CG 4.3Å; A488-K496 WeakPolarHBondContact O-CE 3.42Å; A488-I499 HydrophobicContact CB-CD1 3.71Å; A488-I499 HydrophobicContact CB-CG2 4.23Å |
| 489 | S | 47.1 | Very low | 53.2 | Low | 44 Ų | 44 | 72.7 Ų | 72.7 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.7 | -172.7 | 52.5 | 0 | 0 | 0 | 0 | 115.6 | L482 K496 | L482-S489 VanDerWaalsContact CD2-OG 3.3Å; L482-S489 WeakPolarHBondContact CD2-OG 3.46Å; S489-K496 PolarHBondContact O-NZ 3.34Å |
| 490 | E | 50.2 | Low | 54.1 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -4.7 | 173.4 | -60.6 | -175.7 | 155.6 | 0 | 0 | 114.6 | Q386 I476 T478 A488 | Q386-E490 PolarHBondContact NE2-OE2 2.99Å; I476-E490 VanDerWaalsContact CG2-OE2 3.31Å; I476-E490 WeakPolarHBondContact CG2-OE2 3.35Å; T478-E490 WeakPolarHBondContact CA-OE1 3.47Å; T478-E490 WeakPolarHBondContact CG2-OE1 3.38Å; A488-E490 PolarHBondContact O-N 3.44Å |
| 491 | A | 52 | Low | 55 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 5% | 0.05 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -67.4 | 138.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q386 A488 A493 K495 K496 I499 | Q386-A491 HydrophobicContact CB-CB 4.24Å; A488-A491 HydrophobicContact CB-CB 3.63Å; A488-A491 VanDerWaalsContact O-CB 3.3Å; A488-A491 WeakPolarHBondContact O-CB 3.42Å; A488-A491 PolarHBondContact O-N 3.41Å; A491-A493 PolarHBondContact O-N 3.1Å; A491-K495 HydrophobicContact CB-CB 4.06Å; A491-K496 HydrophobicContact CB-CG 4.14Å; A491-K496 VanDerWaalsContact O-CE 3.29Å; A491-K496 WeakPolarHBondContact O-CE 3.49Å; A491-I499 HydrophobicContact CB-CD1 3.91Å |
| 492 | P | 55 | Low | 55.7 | Low | 75 Ų | 75 | 64.4 Ų | 64.4 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -48.3 | 143.5 | 167.9 | -25.8 | 33.9 | 0 | 0 | 0 | 110 | S494 K495 K496 | P492-S494 PolarHBondContact O-N 3.09Å; P492-K495 WeakPolarHBondContact O-CA 3.5Å; P492-K495 PolarHBondContact O-N 2.97Å; P492-K496 PolarHBondContact O-N 2.9Å | ||
| 493 | A | 58.8 | Low | 56.3 | Low | 88 Ų | 88 | 62.5 Ų | 62.5 | 73% | 0.727 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -51.1 | -34.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A491 K495 K496 | A491-A493 PolarHBondContact O-N 3.1Å; A493-K495 PolarHBondContact O-N 3.11Å; A493-K496 PolarHBondContact O-N 3.36Å |
| 494 | S | 59.8 | Low | 56.8 | Low | 96 Ų | 96 | 62 Ų | 62 | 67% | 0.671 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.8 | -24.3 | 175 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | P492 | P492-S494 PolarHBondContact O-N 3.09Å |
| 495 | K | 63 | Low | 57.1 | Low | 75 Ų | 75 | 62.3 Ų | 62.3 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -96.7 | -25.4 | 179.5 | -72.4 | -74.5 | 168.3 | -168.2 | 0 | 112.9 | A491 P492 A493 Q497 E498 I499 | A491-K495 HydrophobicContact CB-CB 4.06Å; P492-K495 WeakPolarHBondContact O-CA 3.5Å; P492-K495 PolarHBondContact O-N 2.97Å; A493-K495 PolarHBondContact O-N 3.11Å; K495-Q497 PolarHBondContact O-N 3.43Å; K495-E498 WeakPolarHBondContact CD-OE2 3.38Å; K495-E498 IonicContact NZ-OE2 2.75Å; K495-E498 PolarHBondContact NZ-OE2 3.39Å; K495-E498 PolarHBondContact O-N 2.88Å; K495-I499 HydrophobicContact CB-CD1 4.18Å; K495-I499 WeakPolarHBondContact O-CB 3.35Å; K495-I499 WeakPolarHBondContact O-CD1 3.14Å; K495-I499 WeakPolarHBondContact O-CG1 3.49Å; K495-I499 PolarHBondContact O-N 3.28Å |
| 496 | K | 62.1 | Low | 57.5 | Low | 84 Ų | 84 | 61.9 Ų | 61.9 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | -177.1 | -71.8 | -174.2 | 173.1 | 178.8 | 0 | 112.7 | A488 S489 A491 P492 A493 I499 S500 | A488-K496 HydrophobicContact CB-CG 4.3Å; A488-K496 WeakPolarHBondContact O-CE 3.42Å; S489-K496 PolarHBondContact O-NZ 3.34Å; A491-K496 HydrophobicContact CB-CG 4.14Å; A491-K496 VanDerWaalsContact O-CE 3.29Å; A491-K496 WeakPolarHBondContact O-CE 3.49Å; P492-K496 PolarHBondContact O-N 2.9Å; A493-K496 PolarHBondContact O-N 3.36Å; K496-I499 PolarHBondContact O-N 2.75Å; K496-S500 WeakPolarHBondContact O-CB 3.23Å; K496-S500 PolarHBondContact O-N 3.3Å |
| 497 | Q | 63.7 | Low | 57.7 | Low | 134 Ų | 134 | 63.5 Ų | 63.5 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 178.1 | -175.8 | 175.5 | -8.4 | 0 | 0 | 111.3 | K495 I499 S500 E501 | K495-Q497 PolarHBondContact O-N 3.43Å; Q497-I499 VanDerWaalsContact C-N 3.29Å; Q497-I499 PolarHBondContact O-N 2.66Å; Q497-S500 WeakPolarHBondContact O-CB 3.19Å; Q497-S500 PolarHBondContact O-N 3.24Å; Q497-S500 VanDerWaalsContact O-N 3.11Å; Q497-E501 HydrophobicContact CG-CG 4.47Å; Q497-E501 WeakPolarHBondContact CG-OE1 3.1Å; Q497-E501 PolarHBondContact NE2-OE1 2.97Å; Q497-E501 WeakPolarHBondContact O-CG 3.09Å; Q497-E501 PolarHBondContact O-N 3.06Å |
| 498 | E | 63.7 | Low | 57.7 | Low | 44 Ų | 44 | 61.7 Ų | 61.7 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 177.6 | -167.5 | 174.4 | -148.6 | 0 | 0 | 111.2 | T390 K394 K495 I502 | T390-E498 VanDerWaalsContact CG2-CD 3.49Å; T390-E498 HydrophobicContact CG2-CG 4.15Å; T390-E498 WeakPolarHBondContact CG2-OE2 3.42Å; K394-E498 WeakPolarHBondContact CE-OE1 3.48Å; K394-E498 IonicContact NZ-OE1 3.52Å; K394-E498 PolarHBondContact NZ-OE1 3.32Å; K495-E498 WeakPolarHBondContact CD-OE2 3.38Å; K495-E498 IonicContact NZ-OE2 2.75Å; K495-E498 PolarHBondContact NZ-OE2 3.39Å; K495-E498 PolarHBondContact O-N 2.88Å; E498-I502 HydrophobicContact CG-CD1 4.2Å; E498-I502 WeakPolarHBondContact O-CB 3.47Å; E498-I502 VanDerWaalsContact O-CD1 3.3Å; E498-I502 WeakPolarHBondContact O-CD1 3.3Å; E498-I502 VanDerWaalsContact O-CG1 3.23Å; E498-I502 WeakPolarHBondContact O-CG1 3.46Å; E498-I502 PolarHBondContact O-N 3.05Å; E498-I502 VanDerWaalsContact O-N 3.12Å |
| 499 | I | 62.5 | Low | 57.4 | Low | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 176 | -65.7 | 168.3 | 0 | 0 | 0 | 111.7 | V389 A488 A491 K495 K496 Q497 I502 M503 | V389-I499 HydrophobicContact CG1-CD1 3.88Å; V389-I499 HydrophobicContact CG1-CG1 3.65Å; V389-I499 HydrophobicContact CG1-CG2 4.24Å; A488-I499 HydrophobicContact CB-CD1 3.71Å; A488-I499 HydrophobicContact CB-CG2 4.23Å; A491-I499 HydrophobicContact CB-CD1 3.91Å; K495-I499 HydrophobicContact CB-CD1 4.18Å; K495-I499 WeakPolarHBondContact O-CB 3.35Å; K495-I499 WeakPolarHBondContact O-CD1 3.14Å; K495-I499 WeakPolarHBondContact O-CG1 3.49Å; K495-I499 PolarHBondContact O-N 3.28Å; K496-I499 PolarHBondContact O-N 2.75Å; Q497-I499 VanDerWaalsContact C-N 3.29Å; Q497-I499 PolarHBondContact O-N 2.66Å; I499-I502 WeakPolarHBondContact O-CB 3.48Å; I499-I502 WeakPolarHBondContact O-CG2 3.15Å; I499-I502 PolarHBondContact O-N 2.92Å; I499-M503 HydrophobicContact CG2-CG 4.46Å; I499-M503 VanDerWaalsContact O-CB 3.26Å; I499-M503 WeakPolarHBondContact O-CB 2.99Å; I499-M503 WeakPolarHBondContact O-CG 3.31Å; I499-M503 PolarHBondContact O-N 3.03Å |
| 500 | S | 63.2 | Low | 56.8 | Low | 58 Ų | 58 | 68.1 Ų | 68.1 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | K496 Q497 I502 M503 N504 | K496-S500 WeakPolarHBondContact O-CB 3.23Å; K496-S500 PolarHBondContact O-N 3.3Å; Q497-S500 WeakPolarHBondContact O-CB 3.19Å; Q497-S500 PolarHBondContact O-N 3.24Å; Q497-S500 VanDerWaalsContact O-N 3.11Å; S500-I502 VanDerWaalsContact C-N 3.29Å; S500-I502 PolarHBondContact O-N 3.42Å; S500-M503 WeakPolarHBondContact O-CB 3.29Å; S500-M503 PolarHBondContact O-N 2.82Å; S500-M503 VanDerWaalsContact O-N 3.14Å; S500-N504 VanDerWaalsContact O-CG 3.28Å; S500-N504 PolarHBondContact O-N 3.31Å; S500-N504 PolarHBondContact O-ND2 3.31Å |
| 501 | E | 64 | Low | 56.1 | Low | 113 Ų | 113 | 69.2 Ų | 69.2 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 175.6 | -72 | 171.7 | -171.2 | 0 | 0 | 111.3 | Q497 A505 | Q497-E501 HydrophobicContact CG-CG 4.47Å; Q497-E501 WeakPolarHBondContact CG-OE1 3.1Å; Q497-E501 PolarHBondContact NE2-OE1 2.97Å; Q497-E501 WeakPolarHBondContact O-CG 3.09Å; Q497-E501 PolarHBondContact O-N 3.06Å; E501-A505 WeakPolarHBondContact O-CB 3.19Å; E501-A505 PolarHBondContact O-N 3.23Å |
| 502 | I | 61.8 | Low | 54.9 | Low | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.128 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 173 | -89.8 | 167.7 | 0 | 0 | 0 | 112.1 | V389 T390 L393 E498 I499 S500 A505 M506 | V389-I502 HydrophobicContact CG2-CG2 3.97Å; T390-I502 HydrophobicContact CG2-CD1 4.37Å; L393-I502 HydrophobicContact CB-CD1 4.46Å; L393-I502 HydrophobicContact CD1-CB 3.75Å; L393-I502 HydrophobicContact CD1-CD1 3.7Å; L393-I502 HydrophobicContact CD1-CG1 3.63Å; L393-I502 HydrophobicContact CD1-CG2 2.9Å; L393-I502 HydrophobicContact CG-CG2 4.37Å; E498-I502 HydrophobicContact CG-CD1 4.2Å; E498-I502 WeakPolarHBondContact O-CB 3.47Å; E498-I502 VanDerWaalsContact O-CD1 3.3Å; E498-I502 WeakPolarHBondContact O-CD1 3.3Å; E498-I502 VanDerWaalsContact O-CG1 3.23Å; E498-I502 WeakPolarHBondContact O-CG1 3.46Å; E498-I502 PolarHBondContact O-N 3.05Å; E498-I502 VanDerWaalsContact O-N 3.12Å; I499-I502 WeakPolarHBondContact O-CB 3.48Å; I499-I502 WeakPolarHBondContact O-CG2 3.15Å; I499-I502 PolarHBondContact O-N 2.92Å; S500-I502 VanDerWaalsContact C-N 3.29Å; S500-I502 PolarHBondContact O-N 3.42Å; I502-A505 CarbonylContact O-C 3.56Å; I502-A505 WeakPolarHBondContact O-CA 3.3Å; I502-A505 WeakPolarHBondContact O-CB 2.94Å; I502-A505 PolarHBondContact O-N 3.18Å; I502-A505 VanDerWaalsContact O-N 3.13Å; I502-M506 PolarHBondContact O-N 3.24Å |
| 503 | M | 60 | Low | 53.5 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 14% | 0.143 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | -176.9 | -95.4 | -87.1 | -102.5 | 0 | 0 | 111.3 | L230 P417 W487 I499 S500 A505 M506 | L230-M503 HydrophobicContact CD1-CE 3.42Å; L230-M503 VanDerWaalsContact CD1-CE 3.42Å; L230-M503 HydrophobicContact CD1-CG 3.74Å; L230-M503 HydrophobicContact CD1-SD 3.02Å; L230-M503 WeakPolarHBondContact CD1-SD 3.45Å; L230-M503 HydrophobicContact CG-SD 4.49Å; P417-M503 HydrophobicContact CG-CE 4.18Å; W487-M503 HydrophobicContact CD2-CE 4.13Å; W487-M503 HydrophobicContact CE3-CE 3.25Å; W487-M503 HydrophobicContact CH2-CE 4.46Å; W487-M503 HydrophobicContact CZ3-CE 3.47Å; W487-M503 VanDerWaalsContact CZ3-CE 3.47Å; I499-M503 HydrophobicContact CG2-CG 4.46Å; I499-M503 VanDerWaalsContact O-CB 3.26Å; I499-M503 WeakPolarHBondContact O-CB 2.99Å; I499-M503 WeakPolarHBondContact O-CG 3.31Å; I499-M503 PolarHBondContact O-N 3.03Å; S500-M503 WeakPolarHBondContact O-CB 3.29Å; S500-M503 PolarHBondContact O-N 2.82Å; S500-M503 VanDerWaalsContact O-N 3.14Å; M503-A505 PolarHBondContact O-N 2.73Å; M503-M506 WeakPolarHBondContact O-CB 3.46Å; M503-M506 PolarHBondContact O-N 2.79Å; M503-M506 HydrophobicContact SD-SD 4.41Å |
| 504 | N | 61.1 | Low | 51.9 | Low | 133 Ų | 133 | 79.4 Ų | 79.4 | 71% | 0.711 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64 | -23.6 | 174.4 | -66.9 | -19.3 | 0 | 0 | 0 | 112.1 | S500 | S500-N504 VanDerWaalsContact O-CG 3.28Å; S500-N504 PolarHBondContact O-N 3.31Å; S500-N504 PolarHBondContact O-ND2 3.31Å |
| 505 | A | 57 | Low | 50.3 | Low | 39 Ų | 39 | 82 Ų | 82 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R410 E501 I502 M503 S507 | R410-A505 PolarHBondContact NE-O 2.84Å; E501-A505 WeakPolarHBondContact O-CB 3.19Å; E501-A505 PolarHBondContact O-N 3.23Å; I502-A505 CarbonylContact O-C 3.56Å; I502-A505 WeakPolarHBondContact O-CA 3.3Å; I502-A505 WeakPolarHBondContact O-CB 2.94Å; I502-A505 PolarHBondContact O-N 3.18Å; I502-A505 VanDerWaalsContact O-N 3.13Å; M503-A505 PolarHBondContact O-N 2.73Å; A505-S507 PolarHBondContact O-N 3.01Å |
| 506 | M | 57.6 | Low | 48.5 | Very low | 23 Ų | 23 | 86.1 Ų | 86.1 | 11% | 0.113 | 50% | 0.503 | C | S | . | . | trans | -83.2 | 104.5 | 171.3 | -70.2 | -174.3 | 151.6 | 0 | 0 | 109.2 | V228 L384 L393 I502 M503 | V228-M506 HydrophobicContact CG2-CE 3.73Å; V228-M506 HydrophobicContact CG2-SD 4.23Å; L384-M506 HydrophobicContact CD1-CE 4.02Å; L393-M506 HydrophobicContact CD1-CE 4.25Å; L393-M506 HydrophobicContact CD2-CE 3.83Å; L393-M506 HydrophobicContact CG-CE 4.49Å; I502-M506 PolarHBondContact O-N 3.24Å; M503-M506 WeakPolarHBondContact O-CB 3.46Å; M503-M506 PolarHBondContact O-N 2.79Å; M503-M506 HydrophobicContact SD-SD 4.41Å | ||
| 507 | S | 51.7 | Low | 46.9 | Very low | 88 Ų | 88 | 89.3 Ų | 89.3 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -71 | 134.6 | 170.6 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | A505 | A505-S507 PolarHBondContact O-N 3.01Š|
| 508 | T | 48.9 | Very low | 45.3 | Very low | 57 Ų | 57 | 90.6 Ų | 90.6 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -81 | 143.3 | 161.2 | 47.1 | 0 | 0 | 0 | 0 | 109 | E416 | E416-T508 HydrophobicContact CB-CG2 3.91Å; E416-T508 HydrophobicContact CG-CG2 3.95Å |
| 509 | V | 43.3 | Very low | 43.5 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 128.4 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | P412 G511 | P412-V509 HydrophobicContact CB-CG2 3.68Å; P412-V509 HydrophobicContact CG-CG2 3.86Å; V509-G511 PolarHBondContact O-N 3.31Å |
| 510 | P | 34.4 | Very low | 41.9 | Very low | 115 Ų | 115 | 105.1 Ų | 105.1 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.3 | 172.5 | 12.5 | -13.3 | 0 | 0 | 0 | 108.8 | G512 | P510-G512 PolarHBondContact O-N 3.42Š|
| 511 | G | 33.8 | Very low | 40.2 | Very low | 74 Ų | 74 | 107 Ų | 107 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 130.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V509 Q513 | V509-G511 PolarHBondContact O-N 3.31Å; G511-Q513 PolarHBondContact O-N 3.45Å |
| 512 | G | 28.2 | Very low | 38.4 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 64% | 0.636 | S | S | * | * | trans | -56.6 | 110 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P510 | P510-G512 PolarHBondContact O-N 3.42Š| ||
| 513 | Q | 24.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 113.8 Ų | 113.8 | 84% | 0.836 | 66% | 0.663 | S | S | * | * | trans | -75.1 | 107.4 | 135.5 | -74.8 | -176 | -4.9 | 0 | 0 | 106 | G511 N515 | G511-Q513 PolarHBondContact O-N 3.45Å; Q513-N515 PolarHBondContact O-N 2.85Å | ||
| 514 | T | 25.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -58.8 | 100 | 164.6 | 40.5 | 0 | 0 | 0 | 0 | 108.6 | E516 | T514-E516 PolarHBondContact O-N 3Š| ||
| 515 | N | 25.5 | Very low | 33.6 | Very low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -84.1 | 95.1 | 151.7 | -83.4 | -15.3 | 0 | 0 | 0 | 106.7 | Q513 N517 | Q513-N515 PolarHBondContact O-N 2.85Å; N515-N517 PolarHBondContact O-N 2.8Å; N515-N517 VanDerWaalsContact O-N 3.12Å | ||
| 516 | E | 25.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 108.8 | 152.7 | -68 | 178.4 | 142.3 | 0 | 0 | 107 | T514 | T514-E516 PolarHBondContact O-N 3Š|
| 517 | N | 28.9 | Very low | 31.3 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -9.1 | 151.7 | -88 | -30.3 | 0 | 0 | 0 | 114.7 | N515 F519 | N515-N517 PolarHBondContact O-N 2.8Å; N515-N517 VanDerWaalsContact O-N 3.12Å; N517-F519 VanDerWaalsContact C-N 3.33Å; N517-F519 PolarHBondContact O-N 3.06Å; N517-F519 VanDerWaalsContact O-N 3.1Å |
| 518 | D | 29.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -91.7 | 61.3 | 179.3 | -75.4 | -16.3 | 0 | 0 | 0 | 113.1 | ||||
| 519 | F | 26.4 | Very low | 29.7 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -148.7 | 79.1 | 161 | -99.7 | -82.6 | 0 | 0 | 0 | 108.9 | N517 | N517-F519 VanDerWaalsContact C-N 3.33Å; N517-F519 PolarHBondContact O-N 3.06Å; N517-F519 VanDerWaalsContact O-N 3.1Å | ||
| 520 | I | 28.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -157.9 | 127 | 155.4 | -92.3 | 135.7 | 0 | 0 | 0 | 109.7 | ||||
| 521 | S | 26.5 | Very low | 29.1 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 66.3 | 108.5 | 155.7 | 71.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 522 | I | 27.5 | Very low | 29.1 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | -140.5 | 92.6 | 124.5 | -55.5 | -175.9 | 0 | 0 | 0 | 108.3 | |||||
| 523 | S | 26.5 | Very low | 29.4 | Very low | 99 Ų | 99 | 156.5 Ų | 156.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -137.7 | 123.4 | 154.1 | 56.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 524 | T | 25.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 63.1 | 112.8 | 159 | 52.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 525 | S | 30.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 160.2 | 146.1 | 96.4 | 59.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 526 | K | 34.1 | Very low | 31.1 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 72.3 | 107 | 149.9 | -69 | 163 | -179.3 | -179.5 | 0 | 118.4 | ||||
| 527 | Q | 32.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | 79.1 | 114.2 | 81.2 | -84.8 | -170.1 | -13.9 | 0 | 0 | 116.5 | |||||
| 528 | K | 31.2 | Very low | 32.1 | Very low | 184 Ų | 184 | 154 Ų | 154 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 62.3 | 117 | 136.5 | -75.9 | 178.8 | 172.3 | 173.6 | 0 | 121.3 | ||||
| 529 | K | 34.6 | Very low | 32.5 | Very low | 197 Ų | 197 | 155 Ų | 155 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 168.1 | 117.5 | 115.3 | -92 | 168.7 | 178.1 | 179.3 | 0 | 109.5 | |||||
| 530 | R | 32 | Very low | 33 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | 48.2 | 133.5 | 97.1 | -76.1 | -172.2 | 165.3 | -176.6 | -2.8 | 112.6 | |||||
| 531 | R | 32.9 | Very low | 33.4 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 70% | 0.698 | 77% | 0.765 | S | S | * | * | cis | 180 | 165.4 | 17.6 | -124.8 | 177.5 | 178.1 | 175.8 | -5.4 | 109.4 | ||||
| 532 | N | 34.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 89.9 | 113.6 | 154.7 | -60.9 | -7.2 | 0 | 0 | 0 | 118.2 | ||||
| 533 | V | 34.9 | Very low | 34.5 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | 73.6 | 123.8 | 72.7 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 534 | S | 35.5 | Very low | 35 | Very low | 89 Ų | 89 | 153.1 Ų | 153.1 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | cis | -175.4 | 165.8 | 46.4 | 33.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 535 | D | 38 | Very low | 35.6 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 70.8 | 126.8 | 149 | -65.8 | -34.6 | 0 | 0 | 0 | 120 | ||||
| 536 | T | 37.1 | Very low | 36.1 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | -170.1 | 135.1 | 53.4 | -7.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 537 | K | 37.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -20.6 | 159.7 | 158.7 | -85.8 | 164.6 | 175.2 | 164.6 | 0 | 124.7 | ||||
| 538 | K | 38.4 | Very low | 36.6 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 88.5 | 138.6 | 141.2 | -85 | 168.4 | -179.2 | 179.4 | 0 | 117.3 | ||||
| 539 | K | 38.1 | Very low | 37 | Very low | 181 Ų | 181 | 153 Ų | 153 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | cis | -165.5 | 132.7 | 23.8 | -99.1 | 155.5 | 174.6 | -176.5 | 0 | 106.9 | ||||
| 540 | S | 37.4 | Very low | 37.2 | Very low | 92 Ų | 92 | 153 Ų | 153 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | 87.5 | 127.6 | 75.1 | 89.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 541 | R | 37.3 | Very low | 37.6 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | 76.1 | 148.2 | 145.4 | -73.3 | 174.9 | 170.3 | 172.2 | -4.2 | 118.3 | ||||
| 542 | N | 37 | Very low | 37.8 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -176.6 | 164.9 | -14.4 | -120.7 | 5.7 | 0 | 0 | 0 | 107.1 | ||||
| 543 | N | 39.1 | Very low | 38.1 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 114.2 | 109 | 162.5 | -70.4 | -5.2 | 0 | 0 | 0 | 113.6 | ||||
| 544 | S | 36.7 | Very low | 38.3 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | 84.1 | 130.7 | 40.4 | 83.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 545 | N | 39.7 | Very low | 38.4 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 86.4 | 140.4 | 167.7 | -69.5 | -23.6 | 0 | 0 | 0 | 117.1 | ||||
| 546 | K | 40.2 | Very low | 38.6 | Very low | 164 Ų | 164 | 154 Ų | 154 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | cis | -175.4 | 166.7 | 2.3 | -120.6 | 170.4 | -173.4 | 175.4 | 0 | 109.5 | ||||
| 547 | N | 38.8 | Very low | 38.8 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 95.1 | 110.5 | 157.6 | -59.9 | -16.5 | 0 | 0 | 0 | 117 | ||||
| 548 | K | 37.7 | Very low | 39 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | cis | 75.5 | 109.1 | 39.6 | -81.3 | -172.1 | 174.1 | 174.4 | 0 | 117.1 | ||||
| 549 | S | 38.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -176.8 | 117.3 | 133 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 550 | K | 40.2 | Very low | 39.1 | Very low | 197 Ų | 197 | 154.3 Ų | 154.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | 64.4 | 129.2 | 83.7 | -75.8 | -172.2 | -179.9 | -178.2 | 0 | 111.7 | |||||
| 551 | T | 39.2 | Very low | 39.3 | Very low | 120 Ų | 120 | 158.5 Ų | 158.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | 179.1 | 132.7 | 36.5 | 22.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 552 | S | 38.1 | Very low | 39.8 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 91.8 | 127.4 | 88.6 | 106 | 0 | 0 | 0 | 0 | 118 | |||||
| 553 | K | 41.2 | Very low | 39.9 | Very low | 172 Ų | 172 | 154 Ų | 154 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 94.4 | 125.7 | 134.5 | -76 | 177.4 | -178.8 | 176.6 | 0 | 122.7 | ||||
| 554 | R | 38.3 | Very low | 40.4 | Very low | 237 Ų | 237 | 157.9 Ų | 157.9 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 139 | 141.8 | -67.9 | 172.3 | 170.2 | -175.2 | -4.8 | 116.6 | ||||
| 555 | G | 37.5 | Very low | 41 | Very low | 79 Ų | 79 | 166.2 Ų | 166.2 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | cis | -164.7 | -173.5 | 17.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 556 | K | 42.6 | Very low | 41.1 | Very low | 211 Ų | 211 | 167.9 Ų | 167.9 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -76.8 | 171.6 | -158.2 | -87.9 | 177.3 | 176.4 | -179.2 | 0 | 117.6 | ||||
| 557 | P | 42 | Very low | 41.1 | Very low | 113 Ų | 113 | 168.1 Ų | 168.1 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | trans | -95.6 | 165.4 | -173.5 | 38.7 | -33.6 | 0 | 0 | 0 | 114.4 | ||||
| 558 | F | 41.9 | Very low | 41.3 | Very low | 217 Ų | 217 | 169.3 Ų | 169.3 | 95% | 0.952 | 84% | 0.838 | S | S | * | * | trans | -138.6 | 146.4 | 167.7 | -103.4 | -87.6 | 0 | 0 | 0 | 113.6 | ||||
| 559 | R | 38.5 | Very low | 41.5 | Very low | 224 Ų | 224 | 167.2 Ų | 167.2 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -89.6 | 167.3 | -173.7 | -107.1 | 179.1 | 173.4 | 177.8 | -4.2 | 112.7 | ||||
| 560 | N | 39.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 170.9 Ų | 170.9 | 65% | 0.647 | 84% | 0.84 | S | S | * | * | trans | 98.4 | 116.3 | 140.9 | -81.7 | 7.5 | 0 | 0 | 0 | 121.5 | ||||
| 561 | H | 41.3 | Very low | 41.7 | Very low | 181 Ų | 181 | 169.2 Ų | 169.2 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | 57.9 | 123.8 | 128.3 | -69.1 | -32.9 | 0 | 0 | 0 | 122.3 | |||||
| 562 | G | 46.5 | Very low | 41.9 | Very low | 77 Ų | 77 | 172.7 Ų | 172.7 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -165.8 | 102.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | K | 39.5 | Very low | 42.2 | Very low | 197 Ų | 197 | 178.8 Ų | 178.8 | 86% | 0.857 | 86% | 0.86 | S | S | * | * | trans | -89.8 | 135.4 | 156.8 | -88.6 | -174.1 | 173.7 | -175.4 | 0 | 106.8 | ||||
| 564 | Y | 50.8 | Low | 42.3 | Very low | 227 Ų | 227 | 179.3 Ų | 179.3 | 89% | 0.89 | 87% | 0.87 | S | S | * | * | trans | -149.7 | 131.1 | 147.5 | -85.2 | -77.5 | 0 | 0 | 0 | 109 | ||||
| 565 | E | 49.2 | Very low | 42.7 | Very low | 268 Ų | 268 | 174.1 Ų | 174.1 | 100% | 1.252 | 87% | 0.867 | S | S | * | * | trans | 61.8 | 0 | 165.8 | -62.3 | -176 | 170 | 0 | 0 | 121.1 |
Retrieved 565 of 565 residues in 965.1 ms
(Link to these results)