| 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 | 50.6 | Low | 67.4 | Low | 237 Ų | 237 | 119.7 Ų | 119.7 | 100% | 1.167 | 63% | 0.627 | S | S | * | * | 0 | 29.6 | 0 | -152.3 | 172.8 | 71.8 | 0 | 0 | 111.5 | |||||
| 2 | E | 56.8 | Low | 68.9 | Low | 181 Ų | 181 | 114.7 Ų | 114.7 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | trans | -118.6 | -13 | 179.7 | -69.6 | -178.1 | 146.5 | 0 | 0 | 112.9 | ||||
| 3 | A | 58.4 | Low | 70 | Confident | 72 Ų | 72 | 113.5 Ų | 113.5 | 60% | 0.595 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G5 L6 D7 | A3-G5 PolarHBondContact O-N 2.93Å; A3-L6 PolarHBondContact O-N 3.33Å; A3-L6 VanDerWaalsContact O-N 3.11Å; A3-D7 PolarHBondContact O-N 3.36Å |
| 4 | E | 60.9 | Low | 70.8 | Confident | 169 Ų | 169 | 114.7 Ų | 114.7 | 79% | 0.79 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.5 | -23.3 | -178.8 | -58.6 | -156.3 | 160.4 | 0 | 0 | 113.4 | L6 | E4-L6 VanDerWaalsContact C-N 3.33Å |
| 5 | G | 61.9 | Low | 71.6 | Confident | 42 Ų | 42 | 113.6 Ų | 113.6 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -77.8 | -12.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A3 W8 | A3-G5 PolarHBondContact O-N 2.93Å; G5-W8 VanDerWaalsContact C-CD1 3.41Å; G5-W8 PolarHBondContact O-NE1 2.94Å |
| 6 | L | 69.2 | Low | 72.5 | Confident | 104 Ų | 104 | 114.4 Ų | 114.4 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -101 | -32.3 | 175.7 | -152.7 | 74.1 | 0 | 0 | 0 | 111 | A3 E4 W8 L9 L10 | A3-L6 PolarHBondContact O-N 3.33Å; A3-L6 VanDerWaalsContact O-N 3.11Å; E4-L6 VanDerWaalsContact C-N 3.33Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.38Å; L6-L10 HydrophobicContact CB-CD1 4.3Å; L6-L10 HydrophobicContact CD2-CD1 3.95Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å |
| 7 | D | 69.4 | Low | 73.3 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -35.9 | -179.2 | -68.6 | -28.5 | 0 | 0 | 0 | 113 | A3 L9 L10 V11 | A3-D7 PolarHBondContact O-N 3.36Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.05Å; D7-L10 PolarHBondContact O-N 3.47Å; D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.27Å; D7-V11 PolarHBondContact O-N 3.38Å |
| 8 | W | 76.4 | Confident | 73.9 | Confident | 168 Ų | 168 | 108.9 Ų | 108.9 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -23.7 | 176.6 | 78.9 | -91.3 | 0 | 0 | 0 | 113.9 | G5 L6 P12 | G5-W8 VanDerWaalsContact C-CD1 3.41Å; G5-W8 PolarHBondContact O-NE1 2.94Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.1Å; W8-P12 WeakPolarHBondContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CG 3.31Å |
| 9 | L | 76.5 | Confident | 74.6 | Confident | 85 Ų | 85 | 113.3 Ų | 113.3 | 45% | 0.445 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -89.2 | -36.7 | 173.1 | -81 | 168 | 0 | 0 | 0 | 111.8 | L6 D7 P12 L13 | L6-L9 PolarHBondContact O-N 3.38Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.05Å; L9-P12 VanDerWaalsContact O-CD 3.3Å; L9-P12 WeakPolarHBondContact O-CD 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; L9-L13 VanDerWaalsContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 2.7Å; L9-L13 VanDerWaalsContact O-N 3.16Å |
| 10 | L | 80.3 | Confident | 75.3 | Confident | 80 Ų | 80 | 109.7 Ų | 109.7 | 42% | 0.419 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | -178.5 | -71.4 | 170.5 | 0 | 0 | 0 | 112.2 | L6 D7 L13 H14 | L6-L10 HydrophobicContact CB-CD1 4.3Å; L6-L10 HydrophobicContact CD2-CD1 3.95Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å; D7-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-H14 VanDerWaalsContact O-CB 3.23Å; L10-H14 WeakPolarHBondContact O-CB 3.44Å; L10-H14 PolarHBondContact O-N 3.03Å |
| 11 | V | 80.5 | Confident | 75.9 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -55.2 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 112.9 | D7 L13 H14 Q15 | D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.27Å; D7-V11 PolarHBondContact O-N 3.38Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.14Å; V11-H14 PolarHBondContact O-N 3.35Å; V11-Q15 VanDerWaalsContact O-CG 3.31Å; V11-Q15 WeakPolarHBondContact O-CG 3.28Å; V11-Q15 PolarHBondContact O-N 3.06Å |
| 12 | P | 85.4 | Confident | 77.6 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 177.6 | 23.9 | -32.4 | 0 | 0 | 0 | 111.9 | W8 L9 Q15 L16 | W8-P12 WeakPolarHBondContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CG 3.31Å; L9-P12 VanDerWaalsContact O-CD 3.3Å; L9-P12 WeakPolarHBondContact O-CD 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; P12-Q15 PolarHBondContact O-N 3.43Å; P12-L16 WeakPolarHBondContact O-CB 3.38Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.36Å; P12-L16 PolarHBondContact O-N 2.93Å |
| 13 | L | 84.3 | Confident | 79.1 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 174.9 | -177.4 | 64.3 | 0 | 0 | 0 | 111.6 | L9 L10 V11 Q15 L16 V17 | L9-L13 VanDerWaalsContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 2.7Å; L9-L13 VanDerWaalsContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.17Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.14Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.31Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.96Å |
| 14 | H | 81 | Confident | 80.6 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 61% | 0.606 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 176.9 | -179 | -91.2 | 0 | 0 | 0 | 111.8 | L10 V11 V17 S18 | L10-H14 VanDerWaalsContact O-CB 3.23Å; L10-H14 WeakPolarHBondContact O-CB 3.44Å; L10-H14 PolarHBondContact O-N 3.03Å; V11-H14 PolarHBondContact O-N 3.35Å; H14-V17 PolarHBondContact O-N 3.4Å; H14-S18 VanDerWaalsContact O-CB 3.26Å; H14-S18 WeakPolarHBondContact O-CB 3.28Å; H14-S18 PolarHBondContact O-N 3.5Å |
| 15 | Q | 82.8 | Confident | 82 | Confident | 98 Ų | 98 | 79.9 Ų | 79.9 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -51.5 | 172.5 | -70.5 | -67.2 | -16.8 | 0 | 0 | 110.8 | V11 P12 L13 V17 S18 W19 | V11-Q15 VanDerWaalsContact O-CG 3.31Å; V11-Q15 WeakPolarHBondContact O-CG 3.28Å; V11-Q15 PolarHBondContact O-N 3.06Å; P12-Q15 PolarHBondContact O-N 3.43Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.31Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.05Å; Q15-S18 PolarHBondContact O-N 2.85Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; Q15-W19 PolarHBondContact O-N 3.41Å |
| 16 | L | 85.7 | Confident | 83.4 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 66% | 0.66 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.9 | -43.5 | 178.2 | -73.2 | 170.5 | 0 | 0 | 0 | 112.3 | P12 L13 W19 G20 | P12-L16 WeakPolarHBondContact O-CB 3.38Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.36Å; P12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.41Å; L16-W19 PolarHBondContact O-N 3.34Å; L16-G20 PolarHBondContact O-N 2.89Å |
| 17 | V | 86 | Confident | 84.4 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.2 | L13 H14 Q15 G20 A21 | L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.96Å; H14-V17 PolarHBondContact O-N 3.4Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.05Å; V17-G20 PolarHBondContact O-N 3.27Å; V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.26Å |
| 18 | S | 84.5 | Confident | 85.2 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 26% | 0.259 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | H14 Q15 A21 A22 | H14-S18 VanDerWaalsContact O-CB 3.26Å; H14-S18 WeakPolarHBondContact O-CB 3.28Å; H14-S18 PolarHBondContact O-N 3.5Å; Q15-S18 PolarHBondContact O-N 2.85Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; S18-A21 PolarHBondContact O-N 2.83Å; S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 3.4Å |
| 19 | W | 87.2 | Confident | 85.6 | Confident | 192 Ų | 192 | 69.9 Ų | 69.9 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 175.7 | -81 | 72 | 0 | 0 | 0 | 111.6 | Q15 L16 A21 A22 A23 | Q15-W19 PolarHBondContact O-N 3.41Å; L16-W19 PolarHBondContact O-N 3.34Å; W19-A21 VanDerWaalsContact C-N 3.34Å; W19-A21 PolarHBondContact O-N 2.81Å; W19-A22 PolarHBondContact O-N 2.85Å; W19-A23 WeakPolarHBondContact O-CB 3.44Å; W19-A23 PolarHBondContact O-N 3.26Å |
| 20 | G | 88.7 | Confident | 86.1 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L16 V17 A23 A24 | L16-G20 PolarHBondContact O-N 2.89Å; V17-G20 PolarHBondContact O-N 3.27Å; G20-A23 PolarHBondContact O-N 3.49Å; G20-A24 WeakPolarHBondContact O-CB 3.22Å; G20-A24 PolarHBondContact O-N 2.96Å |
| 21 | A | 87.5 | Confident | 86.4 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V17 S18 W19 A24 M25 F216 Y220 | V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.26Å; S18-A21 PolarHBondContact O-N 2.83Å; W19-A21 VanDerWaalsContact C-N 3.34Å; W19-A21 PolarHBondContact O-N 2.81Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-M25 WeakPolarHBondContact O-CB 3.4Å; A21-M25 WeakPolarHBondContact O-CG 3.32Å; A21-M25 PolarHBondContact O-N 2.65Å; A21-F216 HydrophobicContact CB-CZ 3.96Å; A21-Y220 HydrophobicContact CB-CD2 4.35Å; A21-Y220 HydrophobicContact CB-CE2 4.15Å |
| 22 | A | 86.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 21% | 0.207 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S18 W19 M25 V26 P76 | S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 3.4Å; W19-A22 PolarHBondContact O-N 2.85Å; A22-M25 WeakPolarHBondContact O-CB 3.19Å; A22-M25 PolarHBondContact O-N 3Å; A22-V26 WeakPolarHBondContact O-CB 3.35Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.74Å; A22-P76 HydrophobicContact CB-CB 4.39Å; A22-P76 HydrophobicContact CB-CG 4.05Å |
| 23 | A | 88.5 | Confident | 86.6 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W19 G20 M25 V26 F27 | W19-A23 WeakPolarHBondContact O-CB 3.44Å; W19-A23 PolarHBondContact O-N 3.26Å; G20-A23 PolarHBondContact O-N 3.49Å; A23-M25 VanDerWaalsContact C-N 3.31Å; A23-M25 PolarHBondContact O-N 3.24Å; A23-V26 PolarHBondContact O-N 2.83Å; A23-F27 WeakPolarHBondContact O-CD2 3.44Å; A23-F27 PolarHBondContact O-N 3.42Å |
| 24 | A | 89.7 | Confident | 86.7 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | G20 A21 G28 F216 | G20-A24 WeakPolarHBondContact O-CB 3.22Å; G20-A24 PolarHBondContact O-N 2.96Å; A21-A24 PolarHBondContact O-N 3.43Å; A24-G28 WeakPolarHBondContact O-CA 3.17Å; A24-G28 PolarHBondContact O-N 2.93Å; A24-F216 HydrophobicContact CB-CE1 3.74Å; A24-F216 HydrophobicContact CB-CZ 3.96Å |
| 25 | M | 90.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 174.3 | -79.5 | -64.3 | -67.9 | 0 | 0 | 112.5 | A21 A22 A23 L77 Q80 F216 K217 Y220 F221 | A21-M25 WeakPolarHBondContact O-CB 3.4Å; A21-M25 WeakPolarHBondContact O-CG 3.32Å; A21-M25 PolarHBondContact O-N 2.65Å; A22-M25 WeakPolarHBondContact O-CB 3.19Å; A22-M25 PolarHBondContact O-N 3Å; A23-M25 VanDerWaalsContact C-N 3.31Å; A23-M25 PolarHBondContact O-N 3.24Å; M25-L77 HydrophobicContact CE-CD1 3.78Å; M25-L77 HydrophobicContact CE-CG 4.16Å; M25-Q80 WeakPolarHBondContact O-CG 3.42Å; M25-F216 HydrophobicContact CG-CE1 3.99Å; M25-F216 HydrophobicContact SD-CD1 4.34Å; M25-F216 HydrophobicContact SD-CE1 4.07Å; M25-K217 HydrophobicContact CE-CG 3.93Å; M25-K217 HydrophobicContact SD-CB 4.13Å; M25-K217 HydrophobicContact SD-CG 4.04Å; M25-Y220 HydrophobicContact CE-CD1 3.73Å; M25-Y220 HydrophobicContact CE-CE1 4.18Å; M25-Y220 HydrophobicContact CE-CG 4.25Å; M25-Y220 HydrophobicContact CG-CD1 3.94Å; M25-Y220 HydrophobicContact CG-CD2 3.84Å; M25-Y220 HydrophobicContact CG-CE1 4.07Å; M25-Y220 HydrophobicContact CG-CE2 3.99Å; M25-Y220 HydrophobicContact CG-CG 3.81Å; M25-Y220 HydrophobicContact SD-CD1 3.98Å; M25-Y220 HydrophobicContact SD-CD2 4.44Å; M25-Y220 HydrophobicContact SD-CG 3.87Å; M25-F221 HydrophobicContact CE-CD1 4.33Å; M25-F221 HydrophobicContact CE-CE1 3.52Å; M25-F221 HydrophobicContact CE-CZ 4.08Å |
| 26 | V | 90.9 | Very high | 87.1 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -45.9 | -177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | A22 A23 P76 W79 I83 | A22-V26 WeakPolarHBondContact O-CB 3.35Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.74Å; A23-V26 PolarHBondContact O-N 2.83Å; V26-P76 HydrophobicContact CG2-CB 3.99Å; V26-P76 WeakPolarHBondContact CG2-O 3.32Å; V26-W79 HydrophobicContact CG1-CB 4.36Å; V26-W79 HydrophobicContact CG2-CB 4.19Å; V26-I83 HydrophobicContact CG1-CD1 3.33Å |
| 27 | F | 89.3 | Confident | 87.2 | Confident | 115 Ų | 115 | 51.9 Ų | 51.9 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -98.2 | -20.8 | -173.3 | -66.6 | -72.6 | 0 | 0 | 0 | 114.2 | A23 G29 V30 V31 I83 | A23-F27 WeakPolarHBondContact O-CD2 3.44Å; A23-F27 PolarHBondContact O-N 3.42Å; F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.45Å; F27-V30 WeakPolarHBondContact O-CA 3.39Å; F27-V30 WeakPolarHBondContact O-CB 3.16Å; F27-V30 PolarHBondContact O-N 3.32Å; F27-V31 PolarHBondContact O-N 2.82Å; F27-I83 HydrophobicContact CD1-CD1 4.29Å; F27-I83 HydrophobicContact CE1-CD1 3.75Å; F27-I83 HydrophobicContact CZ-CD1 4.12Å |
| 28 | G | 86.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.2 | -41.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A24 V30 V31 P32 | A24-G28 WeakPolarHBondContact O-CA 3.17Å; A24-G28 PolarHBondContact O-N 2.93Å; G28-V30 PolarHBondContact O-N 2.85Å; G28-V31 PolarHBondContact O-N 3.47Å; G28-P32 WeakPolarHBondContact O-CD 3.43Å |
| 29 | G | 85 | Confident | 87.5 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F27 Y33 M84 | F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.45Å; G29-Y33 VanDerWaalsContact O-CD2 3.32Å; G29-Y33 WeakPolarHBondContact O-CD2 3.26Å; G29-Y33 WeakPolarHBondContact O-CE2 3.34Å; G29-M84 VanDerWaalsContact C-CE 3.48Å; G29-M84 WeakPolarHBondContact O-CE 3.25Å |
| 30 | V | 87.9 | Confident | 87.5 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -29 | -177.1 | 174 | 0 | 0 | 0 | 0 | 112.1 | F27 G28 P32 Y33 V34 I83 M84 T87 | F27-V30 WeakPolarHBondContact O-CA 3.39Å; F27-V30 WeakPolarHBondContact O-CB 3.16Å; F27-V30 PolarHBondContact O-N 3.32Å; G28-V30 PolarHBondContact O-N 2.85Å; V30-P32 VanDerWaalsContact C-CD 3.46Å; V30-P32 VanDerWaalsContact C-N 3.34Å; V30-Y33 PolarHBondContact O-N 2.71Å; V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-I83 HydrophobicContact CG2-CG2 3.67Å; V30-M84 HydrophobicContact CG2-CE 4.46Å; V30-T87 HydrophobicContact CG1-CG2 3.87Å; V30-T87 WeakPolarHBondContact CG1-OG1 3.4Å |
| 31 | V | 87 | Confident | 87.6 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -45 | -176 | 172.1 | 0 | 0 | 0 | 0 | 113.3 | F27 G28 Y33 V34 P35 M209 | F27-V31 PolarHBondContact O-N 2.82Å; G28-V31 PolarHBondContact O-N 3.47Å; V31-Y33 VanDerWaalsContact C-N 3.25Å; V31-Y33 PolarHBondContact O-N 2.83Å; V31-V34 PolarHBondContact O-N 3.14Å; V31-P35 WeakPolarHBondContact O-CD 3.43Å; V31-M209 HydrophobicContact CG1-CE 3.8Å; V31-M209 HydrophobicContact CG1-SD 4.19Å |
| 32 | P | 83 | Confident | 87.7 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.7 | 179.7 | -22.8 | 34.9 | 0 | 0 | 0 | 114.4 | G28 V30 P35 M206 M209 | G28-P32 WeakPolarHBondContact O-CD 3.43Å; V30-P32 VanDerWaalsContact C-CD 3.46Å; V30-P32 VanDerWaalsContact C-N 3.34Å; P32-P35 WeakPolarHBondContact O-CD 3.5Å; P32-P35 WeakPolarHBondContact O-CG 3.49Å; P32-M206 HydrophobicContact CB-CE 4.33Å; P32-M209 HydrophobicContact CG-SD 4.38Å |
| 33 | Y | 85.5 | Confident | 87.8 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -83.2 | -20 | -178.4 | -59.9 | -73.9 | 0 | 0 | 0 | 113 | G29 V30 V31 Q36 Y37 F49 V53 L57 M84 T87 M88 | G29-Y33 VanDerWaalsContact O-CD2 3.32Å; G29-Y33 WeakPolarHBondContact O-CD2 3.26Å; G29-Y33 WeakPolarHBondContact O-CE2 3.34Å; V30-Y33 PolarHBondContact O-N 2.71Å; V31-Y33 VanDerWaalsContact C-N 3.25Å; V31-Y33 PolarHBondContact O-N 2.83Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Y33-Y37 VanDerWaalsContact O-CB 3.32Å; Y33-Y37 WeakPolarHBondContact O-CB 3.28Å; Y33-Y37 PolarHBondContact O-N 3.33Å; Y33-F49 HydrophobicContact CD1-CE2 4.41Å; Y33-F49 HydrophobicContact CE1-CE2 4.34Å; Y33-V53 HydrophobicContact CE1-CG1 4.44Å; Y33-L57 HydrophobicContact CE1-CD1 4.46Å; Y33-L57 HydrophobicContact CE2-CD1 4.31Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.44Å; Y33-M84 HydrophobicContact CE2-CE 4.31Å; Y33-M84 HydrophobicContact CE2-SD 4.11Å; Y33-T87 HydrophobicContact CG-CG2 4.46Å; Y33-M88 HydrophobicContact CD1-CE 3.8Å; Y33-M88 HydrophobicContact CD2-CE 3.63Å; Y33-M88 HydrophobicContact CE1-CE 3.83Å; Y33-M88 HydrophobicContact CE2-CE 3.67Å; Y33-M88 HydrophobicContact CG-CE 3.71Å |
| 34 | V | 87.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 38% | 0.376 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.4 | -52.3 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | V30 V31 Q36 Y37 R38 | V30-V34 HydrophobicContact CG1-CG2 4.5Å; V31-V34 PolarHBondContact O-N 3.14Å; V34-Q36 VanDerWaalsContact C-N 3.29Å; V34-Q36 PolarHBondContact O-N 3.07Å; V34-Y37 PolarHBondContact O-N 3.49Å; V34-R38 WeakPolarHBondContact O-CG 3.09Å; V34-R38 PolarHBondContact O-N 3.32Å; V34-R38 VanDerWaalsContact O-N 3.15Å |
| 35 | P | 85.8 | Confident | 87.4 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.5 | 25.5 | -33.1 | 0 | 0 | 0 | 111.4 | V31 P32 Y37 R38 D39 | V31-P35 WeakPolarHBondContact O-CD 3.43Å; P32-P35 WeakPolarHBondContact O-CD 3.5Å; P32-P35 WeakPolarHBondContact O-CG 3.49Å; P35-Y37 PolarHBondContact O-N 3.31Å; P35-R38 PolarHBondContact O-N 2.84Å; P35-D39 WeakPolarHBondContact O-CB 3.44Å; P35-D39 PolarHBondContact O-N 3.39Å |
| 36 | Q | 85.5 | Confident | 87 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.2 | -167.8 | 65.8 | 21.1 | 0 | 0 | 112.3 | Y33 V34 R38 D39 I40 F49 M91 | Y33-Q36 PolarHBondContact O-N 3.44Å; V34-Q36 VanDerWaalsContact C-N 3.29Å; V34-Q36 PolarHBondContact O-N 3.07Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.25Å; Q36-D39 PolarHBondContact O-N 2.92Å; Q36-I40 HydrophobicContact CG-CD1 4.14Å; Q36-I40 WeakPolarHBondContact O-CG1 3.37Å; Q36-I40 PolarHBondContact O-N 3.42Å; Q36-F49 HydrophobicContact CG-CD2 3.87Å; Q36-F49 HydrophobicContact CG-CE2 4.39Å; Q36-F49 HydrophobicContact CG-CG 4.46Å; Q36-M91 HydrophobicContact CB-CE 4.37Å; Q36-M91 HydrophobicContact CG-CE 3.95Å |
| 37 | Y | 89.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.7 | -175.9 | -81.6 | 0 | 0 | 0 | 111.2 | Y33 V34 P35 D39 R41 M91 L94 | Y33-Y37 VanDerWaalsContact O-CB 3.32Å; Y33-Y37 WeakPolarHBondContact O-CB 3.28Å; Y33-Y37 PolarHBondContact O-N 3.33Å; V34-Y37 PolarHBondContact O-N 3.49Å; P35-Y37 PolarHBondContact O-N 3.31Å; Y37-D39 VanDerWaalsContact C-N 3.32Å; Y37-D39 PolarHBondContact O-N 3.33Å; Y37-R41 WeakPolarHBondContact O-CB 3.43Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-M91 HydrophobicContact CD2-SD 3.72Å; Y37-M91 HydrophobicContact CG-SD 4.21Å; Y37-L94 HydrophobicContact CD1-CD2 4.09Å; Y37-L94 HydrophobicContact CD2-CB 4.28Å; Y37-L94 HydrophobicContact CD2-CD2 3.52Å; Y37-L94 HydrophobicContact CD2-CG 4.49Å; Y37-L94 HydrophobicContact CE1-CD2 4.13Å; Y37-L94 HydrophobicContact CE2-CB 3.74Å; Y37-L94 HydrophobicContact CE2-CD2 3.58Å; Y37-L94 HydrophobicContact CE2-CG 4.14Å; Y37-L94 HydrophobicContact CG-CD2 3.78Å; Y37-L94 WeakPolarHBondContact O-CD2 3.34Å |
| 38 | R | 89.5 | Confident | 85.4 | Confident | 177 Ų | 177 | 73 Ų | 73 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 178.7 | -72.6 | 175.5 | 175.3 | 164.6 | -0.6 | 111.6 | V34 P35 Q36 R41 R42 | V34-R38 WeakPolarHBondContact O-CG 3.09Å; V34-R38 PolarHBondContact O-N 3.32Å; V34-R38 VanDerWaalsContact O-N 3.15Å; P35-R38 PolarHBondContact O-N 2.84Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.25Å; R38-R41 PolarHBondContact O-N 2.98Å; R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.25Å; R38-R42 PolarHBondContact O-N 2.8Å |
| 39 | D | 86.6 | Confident | 85.2 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -50.5 | 179.3 | -169.6 | 56.3 | 0 | 0 | 0 | 111.7 | P35 Q36 Y37 R41 R42 T43 | P35-D39 WeakPolarHBondContact O-CB 3.44Å; P35-D39 PolarHBondContact O-N 3.39Å; Q36-D39 PolarHBondContact O-N 2.92Å; Y37-D39 VanDerWaalsContact C-N 3.32Å; Y37-D39 PolarHBondContact O-N 3.33Å; D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.47Å; D39-R42 PolarHBondContact O-N 2.92Å; D39-R42 VanDerWaalsContact O-N 3.08Å; D39-T43 WeakPolarHBondContact O-CB 3.26Å; D39-T43 WeakPolarHBondContact O-CG2 3.47Å; D39-T43 PolarHBondContact O-N 2.66Å; D39-T43 PolarHBondContact O-OG1 3.02Å |
| 40 | I | 88.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 176.9 | -65.4 | 167.7 | 0 | 0 | 0 | 110.9 | Q36 R42 Q44 A46 F49 M91 L94 V98 | Q36-I40 HydrophobicContact CG-CD1 4.14Å; Q36-I40 WeakPolarHBondContact O-CG1 3.37Å; Q36-I40 PolarHBondContact O-N 3.42Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 2.81Å; I40-Q44 WeakPolarHBondContact O-CA 3.41Å; I40-Q44 PolarHBondContact O-N 3.47Å; I40-A46 HydrophobicContact CG2-CB 4.08Å; I40-F49 HydrophobicContact CD1-CB 3.72Å; I40-F49 HydrophobicContact CD1-CD1 4.38Å; I40-F49 HydrophobicContact CD1-CG 4.09Å; I40-M91 HydrophobicContact CD1-CE 3.83Å; I40-L94 HydrophobicContact CB-CD2 3.93Å; I40-L94 HydrophobicContact CG2-CD2 3.82Å; I40-L94 HydrophobicContact CG2-CG 4.01Å; I40-V98 HydrophobicContact CG2-CG2 4.2Å |
| 41 | R | 90.3 | Very high | 85.3 | Confident | 162 Ų | 162 | 72.7 Ų | 72.7 | 61% | 0.611 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.6 | -35.2 | 178.6 | -170.3 | 175 | -175.3 | -149.4 | 1 | 112.1 | Y37 R38 D39 Q44 L94 | Y37-R41 WeakPolarHBondContact O-CB 3.43Å; Y37-R41 PolarHBondContact O-N 3.39Å; R38-R41 PolarHBondContact O-N 2.98Å; D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-NE2 3.12Å; R41-L94 HydrophobicContact CB-CD1 4.18Å; R41-L94 HydrophobicContact CB-CD2 4.25Å; R41-L94 HydrophobicContact CG-CD1 4.35Å |
| 42 | R | 90.1 | Very high | 85.4 | Confident | 221 Ų | 221 | 73.8 Ų | 73.8 | 83% | 0.834 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -76.5 | -43.7 | 179.5 | -173.1 | -178.1 | -176.3 | 178.3 | 2.2 | 112.1 | R38 D39 I40 Q44 | R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.25Å; R38-R42 PolarHBondContact O-N 2.8Å; D39-R42 PolarHBondContact O-N 2.92Å; D39-R42 VanDerWaalsContact O-N 3.08Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 2.81Å; R42-Q44 VanDerWaalsContact C-N 3.33Å |
| 43 | T | 87.6 | Confident | 85.8 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -79.8 | -17.5 | -176.7 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | D39 N45 | D39-T43 WeakPolarHBondContact O-CB 3.26Å; D39-T43 WeakPolarHBondContact O-CG2 3.47Å; D39-T43 PolarHBondContact O-N 2.66Å; D39-T43 PolarHBondContact O-OG1 3.02Å; T43-N45 PolarHBondContact O-N 3.34Å; T43-N45 VanDerWaalsContact O-N 3.17Å; T43-N45 PolarHBondContact OG1-N 3.34Å; T43-N45 PolarHBondContact OG1-O 2.96Å |
| 44 | Q | 88 | Confident | 86.1 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.7 | -170.1 | -64 | -68.6 | -66.2 | 0 | 0 | 111.3 | I40 R41 R42 V98 N102 | I40-Q44 WeakPolarHBondContact O-CA 3.41Å; I40-Q44 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-NE2 3.12Å; R42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-V98 WeakPolarHBondContact O-CG1 3.33Å; Q44-N102 PolarHBondContact O-ND2 3.21Å |
| 45 | N | 83.1 | Confident | 86.5 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | trans | -130.5 | 120.5 | 178 | -171.9 | -8.2 | 0 | 0 | 0 | 109.5 | T43 D47 | T43-N45 PolarHBondContact O-N 3.34Å; T43-N45 VanDerWaalsContact O-N 3.17Å; T43-N45 PolarHBondContact OG1-N 3.34Å; T43-N45 PolarHBondContact OG1-O 2.96Å; N45-D47 WeakPolarHBondContact OD1-CB 3.48Å; N45-D47 PolarHBondContact OD1-N 3.15Å; N45-D47 PolarHBondContact OD1-OD2 3.42Å | ||
| 46 | A | 80.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | trans | -108.7 | 8.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | I40 C95 V98 R99 | I40-A46 HydrophobicContact CG2-CB 4.08Å; A46-C95 HydrophobicContact CB-CB 4.23Å; A46-V98 HydrophobicContact CB-CB 4.21Å; A46-V98 HydrophobicContact CB-CG1 3.96Å; A46-R99 HydrophobicContact CB-CG 4.28Å; A46-R99 PolarHBondContact O-NH2 2.73Å | ||
| 47 | D | 74.9 | Confident | 87.4 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 65% | 0.647 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -26.4 | -177.5 | -64.7 | -25.8 | 0 | 0 | 0 | 112.3 | N45 F49 | N45-D47 WeakPolarHBondContact OD1-CB 3.48Å; N45-D47 PolarHBondContact OD1-N 3.15Å; N45-D47 PolarHBondContact OD1-OD2 3.42Å; D47-F49 PolarHBondContact O-N 2.88Å |
| 48 | G | 71.8 | Confident | 87.8 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 76% | 0.763 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 49 | F | 82.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -116.5 | 128.3 | 179.8 | -179 | -100.4 | 0 | 0 | 0 | 111.2 | Y33 Q36 I40 D47 V53 C54 M91 | Y33-F49 HydrophobicContact CD1-CE2 4.41Å; Y33-F49 HydrophobicContact CE1-CE2 4.34Å; Q36-F49 HydrophobicContact CG-CD2 3.87Å; Q36-F49 HydrophobicContact CG-CE2 4.39Å; Q36-F49 HydrophobicContact CG-CG 4.46Å; I40-F49 HydrophobicContact CD1-CB 3.72Å; I40-F49 HydrophobicContact CD1-CD1 4.38Å; I40-F49 HydrophobicContact CD1-CG 4.09Å; D47-F49 PolarHBondContact O-N 2.88Å; F49-V53 HydrophobicContact CZ-CB 4.29Å; F49-V53 HydrophobicContact CZ-CG1 4.48Å; F49-C54 VanDerWaalsContact CE1-SG 3.53Å; F49-M91 HydrophobicContact CD1-CE 4.03Å; F49-M91 HydrophobicContact CD2-CE 4.24Å; F49-M91 HydrophobicContact CE1-CE 3.8Å; F49-M91 HydrophobicContact CE2-CE 4.04Å; F49-M91 HydrophobicContact CG-CE 4.23Å; F49-M91 HydrophobicContact CZ-CE 3.82Å |
| 50 | S | 85.7 | Confident | 88.6 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | trans | -83.8 | 117.5 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | Y52 V53 | S50-Y52 PolarHBondContact O-N 3.3Å; S50-Y52 PolarHBondContact OG-N 2.85Å; S50-V53 WeakPolarHBondContact O-CB 3.25Å; S50-V53 PolarHBondContact O-N 2.71Å | ||
| 51 | T | 89.1 | Confident | 89.1 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -19.6 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | V53 C54 L55 L92 C95 W138 | T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 3.45Å; T51-C54 VanDerWaalsContact O-CB 3.3Å; T51-C54 WeakPolarHBondContact O-CB 3.35Å; T51-C54 PolarHBondContact O-N 2.96Å; T51-C54 VanDerWaalsContact O-N 3.14Å; T51-L55 PolarHBondContact O-N 3.24Å; T51-L92 HydrophobicContact CG2-CD1 3.94Å; T51-C95 HydrophobicContact CG2-CB 4.11Å; T51-W138 PolarHBondContact O-NE1 3.44Å |
| 52 | Y | 90.2 | Very high | 89.4 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 35% | 0.353 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.1 | -26.7 | 172.8 | -66.8 | -79.6 | 0 | 0 | 0 | 112.9 | S50 C54 L55 V56 F137 W138 | S50-Y52 PolarHBondContact O-N 3.3Å; S50-Y52 PolarHBondContact OG-N 2.85Å; Y52-C54 VanDerWaalsContact C-N 3.27Å; Y52-C54 PolarHBondContact O-N 3.49Å; Y52-L55 HydrophobicContact CD1-CD2 4.32Å; Y52-L55 WeakPolarHBondContact O-CB 3.35Å; Y52-L55 PolarHBondContact O-N 3.02Å; Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.37Å; Y52-F137 PolarHBondContact OH-O 3.45Å; Y52-W138 HydrophobicContact CD1-CB 4.16Å; Y52-W138 HydrophobicContact CD1-CG 4.42Å; Y52-W138 HydrophobicContact CE1-CB 3.78Å; Y52-W138 HydrophobicContact CE1-CG 4.48Å |
| 53 | V | 90.7 | Very high | 89.7 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 171.9 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | Y33 F49 S50 T51 L55 V56 L57 L185 | Y33-V53 HydrophobicContact CE1-CG1 4.44Å; F49-V53 HydrophobicContact CZ-CB 4.29Å; F49-V53 HydrophobicContact CZ-CG1 4.48Å; S50-V53 WeakPolarHBondContact O-CB 3.25Å; S50-V53 PolarHBondContact O-N 2.71Å; T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 3.45Å; V53-L55 PolarHBondContact O-N 3.34Å; V53-V56 PolarHBondContact O-N 3.27Å; V53-L57 HydrophobicContact CG1-CD1 3.92Å; V53-L57 WeakPolarHBondContact O-CB 3.14Å; V53-L57 PolarHBondContact O-N 2.89Å; V53-L185 HydrophobicContact CG1-CD2 4.38Å |
| 54 | C | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | F49 T51 Y52 L57 L58 M88 | F49-C54 VanDerWaalsContact CE1-SG 3.53Å; T51-C54 VanDerWaalsContact O-CB 3.3Å; T51-C54 WeakPolarHBondContact O-CB 3.35Å; T51-C54 PolarHBondContact O-N 2.96Å; T51-C54 VanDerWaalsContact O-N 3.14Å; Y52-C54 VanDerWaalsContact C-N 3.27Å; Y52-C54 PolarHBondContact O-N 3.49Å; C54-L57 PolarHBondContact O-N 3.3Å; C54-L58 VanDerWaalsContact O-CB 3.27Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 WeakPolarHBondContact O-CD1 3.33Å; C54-L58 WeakPolarHBondContact O-CG 3.39Å; C54-L58 PolarHBondContact O-N 3.22Å; C54-M88 HydrophobicContact CB-CB 4.26Å; C54-M88 HydrophobicContact CB-SD 4.17Å |
| 55 | L | 94.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 31.9 Ų | 31.9 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -55.2 | 176.3 | 173.6 | 59 | 0 | 0 | 0 | 111.7 | T51 Y52 V53 L57 L58 V59 F137 W138 | T51-L55 PolarHBondContact O-N 3.24Å; Y52-L55 HydrophobicContact CD1-CD2 4.32Å; Y52-L55 WeakPolarHBondContact O-CB 3.35Å; Y52-L55 PolarHBondContact O-N 3.02Å; V53-L55 PolarHBondContact O-N 3.34Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.99Å; L55-L58 PolarHBondContact O-N 3.15Å; L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 4.5Å; L55-V59 WeakPolarHBondContact O-CG2 3.5Å; L55-V59 PolarHBondContact O-N 3.03Å; L55-F137 HydrophobicContact CD2-CD1 4.46Å; L55-F137 HydrophobicContact CD2-CE1 3.61Å; L55-F137 HydrophobicContact CD2-CZ 4.34Å; L55-W138 HydrophobicContact CB-CD2 3.87Å; L55-W138 VanDerWaalsContact CB-CE2 3.48Å; L55-W138 HydrophobicContact CB-CE3 4.46Å; L55-W138 HydrophobicContact CB-CG 4.22Å; L55-W138 HydrophobicContact CB-CH2 4.33Å; L55-W138 HydrophobicContact CB-CZ2 3.72Å; L55-W138 HydrophobicContact CD1-CD2 4.02Å; L55-W138 HydrophobicContact CD1-CE3 3.72Å; L55-W138 HydrophobicContact CD1-CH2 3.67Å; L55-W138 HydrophobicContact CD1-CZ2 3.97Å; L55-W138 HydrophobicContact CD1-CZ3 3.55Å; L55-W138 HydrophobicContact CD2-CB 4.45Å; L55-W138 HydrophobicContact CD2-CD2 4.07Å; L55-W138 HydrophobicContact CD2-CE3 4.29Å; L55-W138 HydrophobicContact CD2-CG 4.14Å; L55-W138 HydrophobicContact CG-CD2 4.19Å; L55-W138 HydrophobicContact CG-CE3 4.37Å; L55-W138 HydrophobicContact CG-CZ2 4.41Å |
| 56 | V | 94.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -43.5 | -175.5 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | Y52 V53 A60 T181 L185 | Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.37Å; V53-V56 PolarHBondContact O-N 3.27Å; V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.26Å; V56-A60 PolarHBondContact O-N 3.12Å; V56-T181 HydrophobicContact CG1-CG2 3.67Å; V56-T181 WeakPolarHBondContact CG1-O 3.33Å; V56-L185 HydrophobicContact CB-CD2 3.84Å; V56-L185 HydrophobicContact CG1-CD2 3.47Å; V56-L185 VanDerWaalsContact CG1-CD2 3.47Å; V56-L185 HydrophobicContact CG1-CG 4.05Å |
| 57 | L | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 176.8 | -78 | 167.3 | 0 | 0 | 0 | 113 | Y33 V53 C54 L55 A60 N61 M84 M88 E182 L185 | Y33-L57 HydrophobicContact CE1-CD1 4.46Å; Y33-L57 HydrophobicContact CE2-CD1 4.31Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.44Å; V53-L57 HydrophobicContact CG1-CD1 3.92Å; V53-L57 WeakPolarHBondContact O-CB 3.14Å; V53-L57 PolarHBondContact O-N 2.89Å; C54-L57 PolarHBondContact O-N 3.3Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 3.17Å; L57-N61 WeakPolarHBondContact O-CB 3.3Å; L57-N61 PolarHBondContact O-N 3.38Å; L57-N61 PolarHBondContact O-ND2 3.05Å; L57-M84 HydrophobicContact CD1-SD 4.32Å; L57-M84 HydrophobicContact CD2-CG 4.37Å; L57-M84 HydrophobicContact CD2-SD 4.41Å; L57-M88 HydrophobicContact CB-CG 3.7Å; L57-M88 HydrophobicContact CB-SD 4Å; L57-M88 HydrophobicContact CD1-CE 3.99Å; L57-M88 HydrophobicContact CD1-CG 4.24Å; L57-M88 HydrophobicContact CD1-SD 3.53Å; L57-M88 VanDerWaalsContact CD1-SD 3.53Å; L57-M88 HydrophobicContact CG-SD 4.42Å; L57-E182 HydrophobicContact CD2-CG 4.48Å; L57-L185 HydrophobicContact CD1-CD1 4.23Å; L57-L185 HydrophobicContact CD2-CD1 3.4Å; L57-L185 VanDerWaalsContact CD2-CD1 3.4Å; L57-L185 HydrophobicContact CG-CD1 3.7Å; L57-L185 HydrophobicContact CG-CD2 4.35Å |
| 58 | L | 97.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -50.9 | 175.2 | -76.1 | 163.3 | 0 | 0 | 0 | 110.3 | C54 L55 N61 I62 I85 M88 L89 W138 V150 | C54-L58 VanDerWaalsContact O-CB 3.27Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 WeakPolarHBondContact O-CD1 3.33Å; C54-L58 WeakPolarHBondContact O-CG 3.39Å; C54-L58 PolarHBondContact O-N 3.22Å; L55-L58 PolarHBondContact O-N 3.15Å; L58-N61 PolarHBondContact O-N 2.77Å; L58-I62 HydrophobicContact CB-CD1 4.48Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 VanDerWaalsContact O-CD1 3.25Å; L58-I62 WeakPolarHBondContact O-CD1 3.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.44Å; L58-I85 HydrophobicContact CD2-CB 4.28Å; L58-I85 HydrophobicContact CD2-CG1 4.36Å; L58-I85 HydrophobicContact CD2-CG2 3.86Å; L58-M88 HydrophobicContact CD1-CB 4.26Å; L58-M88 HydrophobicContact CD2-CB 3.9Å; L58-M88 HydrophobicContact CG-CB 3.76Å; L58-L89 HydrophobicContact CD1-CD2 4.32Å; L58-L89 HydrophobicContact CD2-CD2 4.15Å; L58-L89 HydrophobicContact CD2-CG 4.09Å; L58-W138 HydrophobicContact CD1-CH2 4.25Å; L58-W138 HydrophobicContact CD1-CZ2 4.08Å; L58-V150 HydrophobicContact CD1-CG2 3.91Å |
| 59 | V | 97.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.2 | -52 | 177.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L55 N61 I62 L63 F153 T181 | L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 4.5Å; L55-V59 WeakPolarHBondContact O-CG2 3.5Å; L55-V59 PolarHBondContact O-N 3.03Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.87Å; V59-I62 PolarHBondContact O-N 3.11Å; V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.35Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.48Å; V59-F153 HydrophobicContact CB-CE1 4.37Å; V59-F153 HydrophobicContact CB-CZ 4.43Å; V59-F153 HydrophobicContact CG1-CE1 4.18Å; V59-F153 HydrophobicContact CG1-CZ 3.8Å; V59-F153 HydrophobicContact CG2-CE1 4.19Å; V59-F153 HydrophobicContact CG2-CZ 4.28Å; V59-T181 HydrophobicContact CG1-CG2 4.5Å |
| 60 | A | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.1 | -45 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V56 L57 R64 A178 T181 E182 | V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.26Å; V56-A60 PolarHBondContact O-N 3.12Å; L57-A60 PolarHBondContact O-N 3.17Å; A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.35Å; A60-A178 WeakPolarHBondContact CB-O 3.36Å; A60-T181 HydrophobicContact CB-CG2 3.98Å; A60-E182 HydrophobicContact CB-CB 4.09Å |
| 61 | N | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.8 | -32.6 | -177 | -72.8 | -80.3 | 0 | 0 | 0 | 112.6 | L57 L58 V59 R64 I65 S81 M84 I85 | L57-N61 WeakPolarHBondContact O-CB 3.3Å; L57-N61 PolarHBondContact O-N 3.38Å; L57-N61 PolarHBondContact O-ND2 3.05Å; L58-N61 PolarHBondContact O-N 2.77Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.87Å; N61-R64 PolarHBondContact O-N 3.33Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.45Å; N61-R64 PolarHBondContact OD1-NH2 3.12Å; N61-R64 VanDerWaalsContact OD1-NH2 3.16Å; N61-I65 WeakPolarHBondContact O-CG1 3.22Å; N61-I65 PolarHBondContact O-N 3.2Å; N61-S81 WeakPolarHBondContact OD1-CA 3.18Å; N61-M84 WeakPolarHBondContact ND2-CG 3.36Å; N61-I85 HydrophobicContact CB-CD1 4Å; N61-I85 HydrophobicContact CB-CG1 3.67Å |
| 62 | I | 97.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | 172.4 | -69.4 | 160.1 | 0 | 0 | 0 | 109.9 | L58 V59 R64 I65 L66 I85 V150 F153 T154 | L58-I62 HydrophobicContact CB-CD1 4.48Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 VanDerWaalsContact O-CD1 3.25Å; L58-I62 WeakPolarHBondContact O-CD1 3.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.44Å; V59-I62 PolarHBondContact O-N 3.11Å; I62-R64 PolarHBondContact O-N 3.04Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-I65 VanDerWaalsContact O-N 3.15Å; I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.33Å; I62-I85 HydrophobicContact CG1-CD1 3.79Å; I62-I85 HydrophobicContact CG1-CG1 4.42Å; I62-V150 HydrophobicContact CD1-CG1 3.76Å; I62-F153 HydrophobicContact CB-CE1 4.15Å; I62-F153 HydrophobicContact CD1-CD1 4.09Å; I62-F153 HydrophobicContact CD1-CE1 4.42Å; I62-F153 HydrophobicContact CG2-CD1 4.1Å; I62-F153 HydrophobicContact CG2-CE1 3.86Å; I62-T154 HydrophobicContact CG2-CG2 4.18Å |
| 63 | L | 96.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -35.3 | 177 | -66.3 | 177.2 | 0 | 0 | 0 | 111.6 | V59 L66 F67 F153 A157 L174 A178 | V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.35Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3.01Å; L63-F153 HydrophobicContact CD1-CZ 4.48Å; L63-F153 HydrophobicContact CD2-CE1 4.35Å; L63-F153 HydrophobicContact CD2-CZ 3.83Å; L63-F153 HydrophobicContact CG-CE1 4.4Å; L63-F153 HydrophobicContact CG-CZ 4.06Å; L63-A157 HydrophobicContact CD2-CB 4.4Å; L63-L174 HydrophobicContact CB-CD1 4.46Å; L63-L174 HydrophobicContact CD2-CD1 3.71Å; L63-A178 HydrophobicContact CB-CB 3.62Å |
| 64 | R | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.8 | -38.8 | 177 | -158.1 | -177.7 | -42.3 | 164.2 | 4.7 | 113 | A60 N61 I62 F67 W68 F73 S81 A178 E182 F230 | A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.35Å; N61-R64 PolarHBondContact O-N 3.33Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.45Å; N61-R64 PolarHBondContact OD1-NH2 3.12Å; N61-R64 VanDerWaalsContact OD1-NH2 3.16Å; I62-R64 PolarHBondContact O-N 3.04Å; R64-F67 PolarHBondContact O-N 2.87Å; R64-W68 PolarHBondContact O-N 3.01Å; R64-F73 HydrophobicContact CG-CZ 4.08Å; R64-S81 WeakPolarHBondContact CD-OG 3.4Å; R64-A178 HydrophobicContact CB-CB 4.11Å; R64-E182 IonicContact CZ-OE1 2.74Å; R64-E182 IonicContact CZ-OE2 3.9Å; R64-E182 IonicContact NH1-OE1 3.43Å; R64-E182 PolarHBondContact NH1-OE1 3.37Å; R64-E182 IonicContact NH1-OE2 3.53Å; R64-E182 IonicContact NH2-OE1 3.69Å; R64-E182 PolarHBondContact NH2-OE1 3.14Å; R64-E182 IonicContact NH2-OE2 3.73Å; R64-E182 PolarHBondContact NH2-OE2 3.33Å; R64-F230 HydrophobicContact CG-CE1 4.48Å; R64-F230 HydrophobicContact CG-CZ 4.36Å |
| 65 | I | 96.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 172.9 | -69.1 | 168.6 | 0 | 0 | 0 | 110.1 | N61 I62 W68 F69 L78 I85 | N61-I65 WeakPolarHBondContact O-CG1 3.22Å; N61-I65 PolarHBondContact O-N 3.2Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-I65 VanDerWaalsContact O-N 3.15Å; I65-W68 WeakPolarHBondContact O-CB 3.44Å; I65-W68 PolarHBondContact O-N 2.97Å; I65-F69 HydrophobicContact CG2-CE2 4.08Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.49Å; I65-L78 HydrophobicContact CB-CD1 4.4Å; I65-L78 HydrophobicContact CG1-CD1 3.96Å; I65-L78 HydrophobicContact CG2-CD1 4.32Å; I65-I85 HydrophobicContact CD1-CD1 3.52Å |
| 66 | L | 96.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.5 | -66.7 | 178.6 | 0 | 0 | 0 | 111.9 | I62 L63 W68 F69 A157 T161 L174 | I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.33Å; L63-L66 PolarHBondContact O-N 3.32Å; L66-W68 VanDerWaalsContact C-N 3.26Å; L66-W68 PolarHBondContact O-N 3.46Å; L66-F69 WeakPolarHBondContact O-CB 3.36Å; L66-F69 PolarHBondContact O-N 2.96Å; L66-F69 VanDerWaalsContact O-N 3.14Å; L66-A157 HydrophobicContact CD1-CB 3.6Å; L66-T161 HydrophobicContact CB-CG2 4.28Å; L66-L174 HydrophobicContact CB-CD2 4Å |
| 67 | F | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 174 | 171.5 | -125.4 | 0 | 0 | 0 | 112.4 | L63 R64 F69 G70 R71 F73 V171 L174 P227 F230 | L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3.01Å; R64-F67 PolarHBondContact O-N 2.87Å; F67-F69 PolarHBondContact O-N 3.21Å; F67-G70 PolarHBondContact O-N 2.84Å; F67-R71 HydrophobicContact CD2-CB 4.41Å; F67-R71 HydrophobicContact CE2-CB 3.75Å; F67-R71 HydrophobicContact CZ-CB 4.02Å; F67-R71 HydrophobicContact CZ-CG 4.44Å; F67-R71 PolarHBondContact O-N 3.29Å; F67-F73 HydrophobicContact CD1-CD1 4.01Å; F67-F73 AromaticContact CD1-CE1 3.68Å; F67-F73 HydrophobicContact CD1-CE1 3.68Å; F67-F73 AromaticContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CE1 4.11Å; F67-V171 HydrophobicContact CD2-CG1 3.82Å; F67-V171 WeakPolarHBondContact CD2-O 3.43Å; F67-V171 HydrophobicContact CE2-CG1 3.85Å; F67-V171 WeakPolarHBondContact CE2-O 3.46Å; F67-L174 HydrophobicContact CB-CD2 4.31Å; F67-L174 HydrophobicContact CB-CG 4.41Å; F67-P227 HydrophobicContact CZ-CB 4.49Å; F67-F230 AromaticContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CZ 4.28Å |
| 68 | W | 94.4 | Very high | 93 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 16% | 0.159 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -32.5 | 177.8 | -175.9 | 82.9 | 0 | 0 | 0 | 113.4 | R64 I65 L66 R71 R72 F73 L78 | R64-W68 PolarHBondContact O-N 3.01Å; I65-W68 WeakPolarHBondContact O-CB 3.44Å; I65-W68 PolarHBondContact O-N 2.97Å; L66-W68 VanDerWaalsContact C-N 3.26Å; L66-W68 PolarHBondContact O-N 3.46Å; W68-R71 WeakPolarHBondContact CA-O 3.26Å; W68-R71 CarbonylContact O-C 3.52Å; W68-R72 VanDerWaalsContact CE2-CD 3.49Å; W68-R72 VanDerWaalsContact O-CD 3.26Å; W68-R72 WeakPolarHBondContact O-CD 3.37Å; W68-R72 PolarHBondContact O-N 2.89Å; W68-R72 PolarHBondContact O-NE 3.26Å; W68-F73 HydrophobicContact CB-CD1 4.29Å; W68-F73 HydrophobicContact CB-CE1 3.53Å; W68-F73 HydrophobicContact CB-CZ 3.7Å; W68-F73 AromaticContact CD1-CD1 3.82Å; W68-F73 AromaticContact CD1-CD2 3.88Å; W68-F73 AromaticContact CD1-CE1 3.73Å; W68-F73 AromaticContact CD1-CE2 3.78Å; W68-F73 AromaticContact CD1-CG 3.9Å; W68-F73 AromaticContact CD1-CZ 3.71Å; W68-F73 HydrophobicContact CG-CD1 4.47Å; W68-F73 HydrophobicContact CG-CE1 4.05Å; W68-F73 HydrophobicContact CG-CZ 4.07Å; W68-F73 PolarHBondContact NE1-O 3.19Å; W68-F73 VanDerWaalsContact NE1-O 3.11Å; W68-L78 HydrophobicContact CB-CD1 4.06Å; W68-L78 HydrophobicContact CD2-CD1 4.01Å; W68-L78 HydrophobicContact CD2-CD2 3.98Å; W68-L78 HydrophobicContact CE3-CD1 4.23Å; W68-L78 HydrophobicContact CE3-CD2 4.1Å; W68-L78 HydrophobicContact CG-CD1 3.93Å; W68-L78 HydrophobicContact CH2-CD2 3.76Å; W68-L78 HydrophobicContact CZ2-CD2 3.77Å; W68-L78 HydrophobicContact CZ3-CD2 3.98Å |
| 69 | F | 92.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 47 Ų | 47 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.4 | -74.1 | -75.9 | 0 | 0 | 0 | 112.4 | I65 L66 F67 I165 | I65-F69 HydrophobicContact CG2-CE2 4.08Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.49Å; L66-F69 WeakPolarHBondContact O-CB 3.36Å; L66-F69 PolarHBondContact O-N 2.96Å; L66-F69 VanDerWaalsContact O-N 3.14Å; F67-F69 PolarHBondContact O-N 3.21Å; F69-I165 HydrophobicContact CB-CD1 4.37Å |
| 70 | G | 89.8 | Confident | 92.6 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 34% | 0.34 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.9 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F67 | F67-G70 PolarHBondContact O-N 2.84Å |
| 71 | R | 89.6 | Confident | 92.6 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -136.3 | 110.4 | 177.8 | -172.2 | 171.8 | -174.4 | 136 | 4.4 | 111 | F67 W68 F73 V171 E172 | F67-R71 HydrophobicContact CD2-CB 4.41Å; F67-R71 HydrophobicContact CE2-CB 3.75Å; F67-R71 HydrophobicContact CZ-CB 4.02Å; F67-R71 HydrophobicContact CZ-CG 4.44Å; F67-R71 PolarHBondContact O-N 3.29Å; W68-R71 WeakPolarHBondContact CA-O 3.26Å; W68-R71 CarbonylContact O-C 3.52Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; R71-F73 PolarHBondContact O-N 2.89Å; R71-V171 HydrophobicContact CB-CG1 4.09Å; R71-E172 VanDerWaalsContact CD-OE1 3.32Å; R71-E172 WeakPolarHBondContact CD-OE1 3.32Å; R71-E172 IonicContact CZ-OE1 2.9Å; R71-E172 IonicContact NE-OE1 3.35Å; R71-E172 IonicContact NH1-OE1 3.61Å; R71-E172 PolarHBondContact NH1-OE1 3.3Å; R71-E172 IonicContact NH1-OE2 2.77Å |
| 72 | R | 88.4 | Confident | 92.5 | Very high | 158 Ų | 158 | 47.1 Ų | 47.1 | 60% | 0.596 | 23% | 0.227 | S | C | * | . | trans | -68.6 | 123 | 180 | -60.8 | -68.8 | 166.4 | 136.5 | 2.4 | 110.4 | W68 | W68-R72 VanDerWaalsContact CE2-CD 3.49Å; W68-R72 VanDerWaalsContact O-CD 3.26Å; W68-R72 WeakPolarHBondContact O-CD 3.37Å; W68-R72 PolarHBondContact O-N 2.89Å; W68-R72 PolarHBondContact O-NE 3.26Å | ||
| 73 | F | 86.8 | Confident | 92.4 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | trans | -119.2 | 176 | 168.3 | 57.4 | -101.1 | 0 | 0 | 0 | 109.7 | R64 F67 W68 R71 S75 L77 P227 F230 | R64-F73 HydrophobicContact CG-CZ 4.08Å; F67-F73 HydrophobicContact CD1-CD1 4.01Å; F67-F73 AromaticContact CD1-CE1 3.68Å; F67-F73 HydrophobicContact CD1-CE1 3.68Å; F67-F73 AromaticContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CE1 4.11Å; W68-F73 HydrophobicContact CB-CD1 4.29Å; W68-F73 HydrophobicContact CB-CE1 3.53Å; W68-F73 HydrophobicContact CB-CZ 3.7Å; W68-F73 AromaticContact CD1-CD1 3.82Å; W68-F73 AromaticContact CD1-CD2 3.88Å; W68-F73 AromaticContact CD1-CE1 3.73Å; W68-F73 AromaticContact CD1-CE2 3.78Å; W68-F73 AromaticContact CD1-CG 3.9Å; W68-F73 AromaticContact CD1-CZ 3.71Å; W68-F73 HydrophobicContact CG-CD1 4.47Å; W68-F73 HydrophobicContact CG-CE1 4.05Å; W68-F73 HydrophobicContact CG-CZ 4.07Å; W68-F73 PolarHBondContact NE1-O 3.19Å; W68-F73 VanDerWaalsContact NE1-O 3.11Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; R71-F73 PolarHBondContact O-N 2.89Å; F73-S75 PolarHBondContact O-N 3.48Å; F73-L77 HydrophobicContact CD2-CB 3.64Å; F73-L77 HydrophobicContact CD2-CD2 3.83Å; F73-L77 HydrophobicContact CD2-CG 4.39Å; F73-L77 HydrophobicContact CE2-CB 3.42Å; F73-L77 VanDerWaalsContact CE2-CB 3.42Å; F73-L77 HydrophobicContact CE2-CD2 4.21Å; F73-P227 HydrophobicContact CB-CG 4.43Å; F73-F230 HydrophobicContact CD1-CE2 4.1Å; F73-F230 HydrophobicContact CD1-CZ 4.1Å; F73-F230 HydrophobicContact CD2-CZ 4.45Å; F73-F230 HydrophobicContact CE1-CZ 4.1Å; F73-F230 HydrophobicContact CE2-CZ 4.47Å; F73-F230 HydrophobicContact CG-CE2 4.24Å; F73-F230 HydrophobicContact CG-CZ 4.27Å; F73-F230 HydrophobicContact CZ-CZ 4.29Å | ||
| 74 | E | 85.4 | Confident | 92.3 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | trans | -56.9 | 136.6 | -172.3 | -60.8 | -166.5 | 134.1 | 0 | 0 | 113.6 | L77 Y220 K224 | E74-L77 HydrophobicContact CB-CD1 4.39Å; E74-L77 PolarHBondContact O-N 3.18Å; E74-L77 VanDerWaalsContact O-N 3.15Å; E74-Y220 WeakPolarHBondContact OE2-CE1 3.37Å; E74-Y220 PolarHBondContact OE2-OH 3.36Å; E74-Y220 VanDerWaalsContact OE2-OH 3.1Å; E74-K224 WeakPolarHBondContact OE1-CD 3.24Å; E74-K224 IonicContact OE1-NZ 3.47Å; E74-K224 WeakPolarHBondContact OE2-CG 3.42Å | ||
| 75 | S | 87.6 | Confident | 92.4 | Very high | 86 Ų | 86 | 49 Ų | 49 | 60% | 0.601 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -54.4 | -34.7 | -177.3 | -50.4 | 0 | 0 | 0 | 0 | 115.7 | F73 L77 L78 W79 | F73-S75 PolarHBondContact O-N 3.48Å; S75-L77 VanDerWaalsContact C-N 3.27Å; S75-L77 PolarHBondContact O-N 2.91Å; S75-L78 WeakPolarHBondContact O-CB 3.47Å; S75-L78 PolarHBondContact O-N 2.89Å; S75-L78 VanDerWaalsContact O-N 3.11Å; S75-W79 PolarHBondContact O-N 2.97Å; S75-W79 VanDerWaalsContact O-N 3.08Å |
| 76 | P | 89.3 | Confident | 92.4 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.8 | -36.5 | 176.4 | -27.6 | 37.3 | 0 | 0 | 0 | 113.7 | A22 V26 L78 W79 Q80 | A22-P76 HydrophobicContact CB-CB 4.39Å; A22-P76 HydrophobicContact CB-CG 4.05Å; V26-P76 HydrophobicContact CG2-CB 3.99Å; V26-P76 WeakPolarHBondContact CG2-O 3.32Å; P76-L78 VanDerWaalsContact C-N 3.33Å; P76-W79 PolarHBondContact O-N 2.73Å; P76-Q80 WeakPolarHBondContact O-CB 3.13Å; P76-Q80 PolarHBondContact O-N 2.9Å |
| 77 | L | 88.8 | Confident | 92.3 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.6 | -30.7 | 179 | -77.7 | 63.9 | 0 | 0 | 0 | 111.9 | M25 F73 E74 S75 Q80 S81 Y220 F221 F230 | M25-L77 HydrophobicContact CE-CD1 3.78Å; M25-L77 HydrophobicContact CE-CG 4.16Å; F73-L77 HydrophobicContact CD2-CB 3.64Å; F73-L77 HydrophobicContact CD2-CD2 3.83Å; F73-L77 HydrophobicContact CD2-CG 4.39Å; F73-L77 HydrophobicContact CE2-CB 3.42Å; F73-L77 VanDerWaalsContact CE2-CB 3.42Å; F73-L77 HydrophobicContact CE2-CD2 4.21Å; E74-L77 HydrophobicContact CB-CD1 4.39Å; E74-L77 PolarHBondContact O-N 3.18Å; E74-L77 VanDerWaalsContact O-N 3.15Å; S75-L77 VanDerWaalsContact C-N 3.27Å; S75-L77 PolarHBondContact O-N 2.91Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; L77-S81 PolarHBondContact O-N 3.5Å; L77-S81 VanDerWaalsContact O-N 3.08Å; L77-S81 PolarHBondContact O-OG 3.03Å; L77-Y220 HydrophobicContact CD1-CE1 4.01Å; L77-F221 HydrophobicContact CD1-CE1 4.19Å; L77-F221 HydrophobicContact CD2-CD1 4.32Å; L77-F221 HydrophobicContact CD2-CE1 3.57Å; L77-F221 HydrophobicContact CD2-CZ 4.24Å; L77-F221 HydrophobicContact CG-CE1 3.95Å; L77-F230 HydrophobicContact CD2-CD1 4.1Å; L77-F230 HydrophobicContact CD2-CE1 3.74Å; L77-F230 HydrophobicContact CD2-CE2 4.41Å; L77-F230 HydrophobicContact CD2-CZ 3.91Å |
| 78 | L | 92.5 | Very high | 92.4 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 174.1 | -175.2 | 71.3 | 0 | 0 | 0 | 109.8 | I65 W68 S75 P76 S81 A82 | I65-L78 HydrophobicContact CB-CD1 4.4Å; I65-L78 HydrophobicContact CG1-CD1 3.96Å; I65-L78 HydrophobicContact CG2-CD1 4.32Å; W68-L78 HydrophobicContact CB-CD1 4.06Å; W68-L78 HydrophobicContact CD2-CD1 4.01Å; W68-L78 HydrophobicContact CD2-CD2 3.98Å; W68-L78 HydrophobicContact CE3-CD1 4.23Å; W68-L78 HydrophobicContact CE3-CD2 4.1Å; W68-L78 HydrophobicContact CG-CD1 3.93Å; W68-L78 HydrophobicContact CH2-CD2 3.76Å; W68-L78 HydrophobicContact CZ2-CD2 3.77Å; W68-L78 HydrophobicContact CZ3-CD2 3.98Å; S75-L78 WeakPolarHBondContact O-CB 3.47Å; S75-L78 PolarHBondContact O-N 2.89Å; S75-L78 VanDerWaalsContact O-N 3.11Å; P76-L78 VanDerWaalsContact C-N 3.33Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.84Å; L78-S81 VanDerWaalsContact O-N 3.1Å; L78-A82 PolarHBondContact O-N 3.43Å |
| 79 | W | 93.4 | Very high | 92.4 | Very high | 166 Ų | 166 | 51.8 Ų | 51.8 | 63% | 0.629 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.2 | -37.2 | 176.7 | -120.5 | -159.6 | 0 | 0 | 0 | 113.5 | V26 S75 P76 S81 A82 I83 | V26-W79 HydrophobicContact CG1-CB 4.36Å; V26-W79 HydrophobicContact CG2-CB 4.19Å; S75-W79 PolarHBondContact O-N 2.97Å; S75-W79 VanDerWaalsContact O-N 3.08Å; P76-W79 PolarHBondContact O-N 2.73Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 3.16Å; W79-A82 HydrophobicContact CE3-CB 3.62Å; W79-A82 HydrophobicContact CZ3-CB 3.67Å; W79-A82 PolarHBondContact O-N 3.17Å; W79-I83 WeakPolarHBondContact O-CB 3.43Å; W79-I83 VanDerWaalsContact O-CG1 3.29Å; W79-I83 WeakPolarHBondContact O-CG1 3.5Å; W79-I83 PolarHBondContact O-N 3.4Å |
| 80 | Q | 94.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.8 | -47.3 | 166.9 | -177.5 | -154.8 | -15 | 0 | 0 | 110.9 | M25 P76 L77 I83 M84 | M25-Q80 WeakPolarHBondContact O-CG 3.42Å; P76-Q80 WeakPolarHBondContact O-CB 3.13Å; P76-Q80 PolarHBondContact O-N 2.9Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; Q80-I83 PolarHBondContact O-N 2.81Å; Q80-M84 VanDerWaalsContact O-CB 3.23Å; Q80-M84 WeakPolarHBondContact O-CB 3.38Å; Q80-M84 PolarHBondContact O-N 3.19Å |
| 81 | S | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | -177 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | N61 R64 L77 L78 W79 M84 I85 | N61-S81 WeakPolarHBondContact OD1-CA 3.18Å; R64-S81 WeakPolarHBondContact CD-OG 3.4Å; L77-S81 PolarHBondContact O-N 3.5Å; L77-S81 VanDerWaalsContact O-N 3.08Å; L77-S81 PolarHBondContact O-OG 3.03Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.84Å; L78-S81 VanDerWaalsContact O-N 3.1Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 3.16Å; S81-M84 PolarHBondContact O-N 2.91Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.04Å |
| 82 | A | 95.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L78 W79 M84 I85 L86 | L78-A82 PolarHBondContact O-N 3.43Å; W79-A82 HydrophobicContact CE3-CB 3.62Å; W79-A82 HydrophobicContact CZ3-CB 3.67Å; W79-A82 PolarHBondContact O-N 3.17Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.17Å; A82-I85 PolarHBondContact O-N 3.48Å; A82-L86 PolarHBondContact O-N 2.92Å |
| 83 | I | 95.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 178.6 | -64.8 | 178.9 | 0 | 0 | 0 | 110.9 | V26 F27 V30 W79 Q80 L86 T87 | V26-I83 HydrophobicContact CG1-CD1 3.33Å; F27-I83 HydrophobicContact CD1-CD1 4.29Å; F27-I83 HydrophobicContact CE1-CD1 3.75Å; F27-I83 HydrophobicContact CZ-CD1 4.12Å; V30-I83 HydrophobicContact CG2-CG2 3.67Å; W79-I83 WeakPolarHBondContact O-CB 3.43Å; W79-I83 VanDerWaalsContact O-CG1 3.29Å; W79-I83 WeakPolarHBondContact O-CG1 3.5Å; W79-I83 PolarHBondContact O-N 3.4Å; Q80-I83 PolarHBondContact O-N 2.81Å; I83-L86 PolarHBondContact O-N 3.39Å; I83-T87 WeakPolarHBondContact O-CB 3.38Å; I83-T87 PolarHBondContact O-N 3.08Å; I83-T87 PolarHBondContact O-OG1 3.27Å |
| 84 | M | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.1 | -174 | 62 | 76 | 0 | 0 | 111.7 | G29 V30 Y33 L57 N61 Q80 S81 A82 L86 T87 M88 | G29-M84 VanDerWaalsContact C-CE 3.48Å; G29-M84 WeakPolarHBondContact O-CE 3.25Å; V30-M84 HydrophobicContact CG2-CE 4.46Å; Y33-M84 HydrophobicContact CE2-CE 4.31Å; Y33-M84 HydrophobicContact CE2-SD 4.11Å; L57-M84 HydrophobicContact CD1-SD 4.32Å; L57-M84 HydrophobicContact CD2-CG 4.37Å; L57-M84 HydrophobicContact CD2-SD 4.41Å; N61-M84 WeakPolarHBondContact ND2-CG 3.36Å; Q80-M84 VanDerWaalsContact O-CB 3.23Å; Q80-M84 WeakPolarHBondContact O-CB 3.38Å; Q80-M84 PolarHBondContact O-N 3.19Å; S81-M84 PolarHBondContact O-N 2.91Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.17Å; M84-L86 PolarHBondContact O-N 3.43Å; M84-T87 PolarHBondContact O-N 3.49Å; M84-M88 HydrophobicContact CG-CG 4.49Å; M84-M88 WeakPolarHBondContact O-CG 3.46Å; M84-M88 PolarHBondContact O-N 3.34Å; M84-M88 HydrophobicContact SD-CE 3.75Å; M84-M88 HydrophobicContact SD-CG 4.39Å |
| 85 | I | 96.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 175 | -71.9 | 167.1 | 0 | 0 | 0 | 110.6 | L58 N61 I62 I65 S81 A82 T87 M88 L89 | L58-I85 HydrophobicContact CD2-CB 4.28Å; L58-I85 HydrophobicContact CD2-CG1 4.36Å; L58-I85 HydrophobicContact CD2-CG2 3.86Å; N61-I85 HydrophobicContact CB-CD1 4Å; N61-I85 HydrophobicContact CB-CG1 3.67Å; I62-I85 HydrophobicContact CG1-CD1 3.79Å; I62-I85 HydrophobicContact CG1-CG1 4.42Å; I65-I85 HydrophobicContact CD1-CD1 3.52Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.04Å; A82-I85 PolarHBondContact O-N 3.48Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.1Å; I85-M88 PolarHBondContact O-N 2.92Å; I85-L89 HydrophobicContact CG2-CD1 4.13Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.36Å |
| 86 | L | 96.8 | Very high | 93.9 | Very high | 101 Ų | 101 | 32.8 Ų | 32.8 | 53% | 0.529 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.8 | -46 | 178 | 177.3 | 62.3 | 0 | 0 | 0 | 111.5 | A82 I83 M84 M88 L89 L90 | A82-L86 PolarHBondContact O-N 2.92Å; I83-L86 PolarHBondContact O-N 3.39Å; M84-L86 PolarHBondContact O-N 3.43Å; L86-M88 VanDerWaalsContact C-N 3.35Å; L86-M88 PolarHBondContact O-N 3.28Å; L86-L89 PolarHBondContact O-N 3.41Å; L86-L90 HydrophobicContact CD1-CD1 4.42Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CG-CD1 4.22Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.81Å |
| 87 | T | 95 | Very high | 94 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V30 Y33 I83 M84 I85 L89 L90 M91 | V30-T87 HydrophobicContact CG1-CG2 3.87Å; V30-T87 WeakPolarHBondContact CG1-OG1 3.4Å; Y33-T87 HydrophobicContact CG-CG2 4.46Å; I83-T87 WeakPolarHBondContact O-CB 3.38Å; I83-T87 PolarHBondContact O-N 3.08Å; I83-T87 PolarHBondContact O-OG1 3.27Å; M84-T87 PolarHBondContact O-N 3.49Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.1Å; T87-L89 PolarHBondContact O-N 2.98Å; T87-L90 PolarHBondContact O-N 3.08Å; T87-M91 HydrophobicContact CG2-CG 4.49Å; T87-M91 WeakPolarHBondContact O-CB 3.27Å; T87-M91 WeakPolarHBondContact O-CG 3.4Å; T87-M91 PolarHBondContact O-N 3.36Å |
| 88 | M | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 178.9 | -69.3 | -53.9 | 109.2 | 0 | 0 | 112.2 | Y33 C54 L57 L58 M84 I85 L86 M91 L92 | Y33-M88 HydrophobicContact CD1-CE 3.8Å; Y33-M88 HydrophobicContact CD2-CE 3.63Å; Y33-M88 HydrophobicContact CE1-CE 3.83Å; Y33-M88 HydrophobicContact CE2-CE 3.67Å; Y33-M88 HydrophobicContact CG-CE 3.71Å; C54-M88 HydrophobicContact CB-CB 4.26Å; C54-M88 HydrophobicContact CB-SD 4.17Å; L57-M88 HydrophobicContact CB-CG 3.7Å; L57-M88 HydrophobicContact CB-SD 4Å; L57-M88 HydrophobicContact CD1-CE 3.99Å; L57-M88 HydrophobicContact CD1-CG 4.24Å; L57-M88 HydrophobicContact CD1-SD 3.53Å; L57-M88 VanDerWaalsContact CD1-SD 3.53Å; L57-M88 HydrophobicContact CG-SD 4.42Å; L58-M88 HydrophobicContact CD1-CB 4.26Å; L58-M88 HydrophobicContact CD2-CB 3.9Å; L58-M88 HydrophobicContact CG-CB 3.76Å; M84-M88 HydrophobicContact CG-CG 4.49Å; M84-M88 WeakPolarHBondContact O-CG 3.46Å; M84-M88 PolarHBondContact O-N 3.34Å; M84-M88 HydrophobicContact SD-CE 3.75Å; M84-M88 HydrophobicContact SD-CG 4.39Å; I85-M88 PolarHBondContact O-N 2.92Å; L86-M88 VanDerWaalsContact C-N 3.35Å; L86-M88 PolarHBondContact O-N 3.28Å; M88-M91 PolarHBondContact O-N 3.19Å; M88-L92 VanDerWaalsContact O-CB 3.22Å; M88-L92 WeakPolarHBondContact O-CB 3.3Å; M88-L92 PolarHBondContact O-N 3.03Å |
| 89 | L | 96.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 172.9 | -68 | 174.8 | 0 | 0 | 0 | 111.9 | L58 I85 L86 T87 L92 K93 F143 | L58-L89 HydrophobicContact CD1-CD2 4.32Å; L58-L89 HydrophobicContact CD2-CD2 4.15Å; L58-L89 HydrophobicContact CD2-CG 4.09Å; I85-L89 HydrophobicContact CG2-CD1 4.13Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.36Å; L86-L89 PolarHBondContact O-N 3.41Å; T87-L89 PolarHBondContact O-N 2.98Å; L89-L92 PolarHBondContact O-N 3.15Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.1Å; L89-F143 HydrophobicContact CB-CZ 4.49Å; L89-F143 WeakPolarHBondContact O-CE2 3.43Å |
| 90 | L | 95.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 33.7 Ų | 33.7 | 44% | 0.44 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.7 | -69.9 | 174.2 | 0 | 0 | 0 | 112.2 | L86 T87 L92 K93 L94 | L86-L90 HydrophobicContact CD1-CD1 4.42Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CG-CD1 4.22Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.81Å; T87-L90 PolarHBondContact O-N 3.08Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-K93 PolarHBondContact O-N 3.33Å; L90-L94 PolarHBondContact O-N 2.92Å |
| 91 | M | 93.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -45 | 174.3 | -78.1 | -63.2 | -62.2 | 0 | 0 | 111.2 | Q36 Y37 I40 F49 T87 M88 L94 C95 | Q36-M91 HydrophobicContact CB-CE 4.37Å; Q36-M91 HydrophobicContact CG-CE 3.95Å; Y37-M91 HydrophobicContact CD2-SD 3.72Å; Y37-M91 HydrophobicContact CG-SD 4.21Å; I40-M91 HydrophobicContact CD1-CE 3.83Å; F49-M91 HydrophobicContact CD1-CE 4.03Å; F49-M91 HydrophobicContact CD2-CE 4.24Å; F49-M91 HydrophobicContact CE1-CE 3.8Å; F49-M91 HydrophobicContact CE2-CE 4.04Å; F49-M91 HydrophobicContact CG-CE 4.23Å; F49-M91 HydrophobicContact CZ-CE 3.82Å; T87-M91 HydrophobicContact CG2-CG 4.49Å; T87-M91 WeakPolarHBondContact O-CB 3.27Å; T87-M91 WeakPolarHBondContact O-CG 3.4Å; T87-M91 PolarHBondContact O-N 3.36Å; M88-M91 PolarHBondContact O-N 3.19Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-C95 WeakPolarHBondContact O-CB 3.13Å; M91-C95 PolarHBondContact O-N 3.22Å; M91-C95 PolarHBondContact O-SG 3.28Å |
| 92 | L | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 179.9 | -168.5 | 59.3 | 0 | 0 | 0 | 111.5 | T51 M88 L89 L90 L94 C95 T96 W138 F143 Y146 | T51-L92 HydrophobicContact CG2-CD1 3.94Å; M88-L92 VanDerWaalsContact O-CB 3.22Å; M88-L92 WeakPolarHBondContact O-CB 3.3Å; M88-L92 PolarHBondContact O-N 3.03Å; L89-L92 PolarHBondContact O-N 3.15Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.14Å; L92-C95 PolarHBondContact O-N 3.41Å; L92-T96 WeakPolarHBondContact O-CG2 3.44Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.27Å; L92-W138 HydrophobicContact CD2-CZ2 3.92Å; L92-F143 HydrophobicContact CB-CE2 4.43Å; L92-Y146 HydrophobicContact CD1-CD1 3.92Å; L92-Y146 HydrophobicContact CD1-CE1 3.91Å; L92-Y146 HydrophobicContact CD1-CG 4.26Å; L92-Y146 VanDerWaalsContact CD2-CB 3.43Å; L92-Y146 HydrophobicContact CD2-CD1 3.59Å; L92-Y146 HydrophobicContact CD2-CD2 4.34Å; L92-Y146 HydrophobicContact CD2-CE1 4.42Å; L92-Y146 HydrophobicContact CD2-CG 3.53Å; L92-Y146 HydrophobicContact CG-CD1 4.08Å; L92-Y146 HydrophobicContact CG-CD2 4.33Å; L92-Y146 HydrophobicContact CG-CG 3.97Å |
| 93 | K | 94.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 39% | 0.391 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.5 | -52 | 173.4 | -177.9 | 177.1 | 173.2 | 178.8 | 0 | 111.2 | L89 L90 C95 T96 E97 F143 | L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.33Å; K93-C95 VanDerWaalsContact C-N 3.33Å; K93-C95 PolarHBondContact O-N 2.93Å; K93-T96 WeakPolarHBondContact CA-OG1 3.34Å; K93-T96 PolarHBondContact O-N 3.46Å; K93-T96 PolarHBondContact O-OG1 3.17Å; K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CG 3.2Å; K93-E97 PolarHBondContact O-N 3.45Å; K93-F143 HydrophobicContact CB-CD2 3.77Å; K93-F143 HydrophobicContact CB-CE1 4.47Å; K93-F143 HydrophobicContact CB-CE2 3.71Å; K93-F143 HydrophobicContact CB-CG 4.2Å; K93-F143 HydrophobicContact CB-CZ 4.07Å; K93-F143 HydrophobicContact CG-CD1 4.45Å; K93-F143 HydrophobicContact CG-CD2 4.39Å; K93-F143 HydrophobicContact CG-CG 4.32Å |
| 94 | L | 93.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 178.4 | 179.2 | 68.5 | 0 | 0 | 0 | 111.6 | Y37 I40 R41 L90 M91 L92 T96 E97 V98 | Y37-L94 HydrophobicContact CD1-CD2 4.09Å; Y37-L94 HydrophobicContact CD2-CB 4.28Å; Y37-L94 HydrophobicContact CD2-CD2 3.52Å; Y37-L94 HydrophobicContact CD2-CG 4.49Å; Y37-L94 HydrophobicContact CE1-CD2 4.13Å; Y37-L94 HydrophobicContact CE2-CB 3.74Å; Y37-L94 HydrophobicContact CE2-CD2 3.58Å; Y37-L94 HydrophobicContact CE2-CG 4.14Å; Y37-L94 HydrophobicContact CG-CD2 3.78Å; Y37-L94 WeakPolarHBondContact O-CD2 3.34Å; I40-L94 HydrophobicContact CB-CD2 3.93Å; I40-L94 HydrophobicContact CG2-CD2 3.82Å; I40-L94 HydrophobicContact CG2-CG 4.01Å; R41-L94 HydrophobicContact CB-CD1 4.18Å; R41-L94 HydrophobicContact CB-CD2 4.25Å; R41-L94 HydrophobicContact CG-CD1 4.35Å; L90-L94 PolarHBondContact O-N 2.92Å; M91-L94 PolarHBondContact O-N 3.11Å; L92-L94 PolarHBondContact O-N 3.14Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.23Å; L94-E97 PolarHBondContact O-N 3.2Å; L94-V98 HydrophobicContact CD1-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.24Å |
| 95 | C | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 179.5 | -68 | 0 | 0 | 0 | 0 | 111.8 | A46 T51 M91 L92 K93 R99 | A46-C95 HydrophobicContact CB-CB 4.23Å; T51-C95 HydrophobicContact CG2-CB 4.11Å; M91-C95 WeakPolarHBondContact O-CB 3.13Å; M91-C95 PolarHBondContact O-N 3.22Å; M91-C95 PolarHBondContact O-SG 3.28Å; L92-C95 PolarHBondContact O-N 3.41Å; K93-C95 VanDerWaalsContact C-N 3.33Å; K93-C95 PolarHBondContact O-N 2.93Å; C95-R99 WeakPolarHBondContact O-CB 3.46Å; C95-R99 WeakPolarHBondContact O-CD 3.38Å; C95-R99 WeakPolarHBondContact O-CG 3.34Å; C95-R99 PolarHBondContact O-N 3.13Å |
| 96 | T | 90.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | L92 K93 L94 V98 R99 V100 Y146 | L92-T96 WeakPolarHBondContact O-CG2 3.44Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.27Å; K93-T96 WeakPolarHBondContact CA-OG1 3.34Å; K93-T96 PolarHBondContact O-N 3.46Å; K93-T96 PolarHBondContact O-OG1 3.17Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.23Å; T96-V98 PolarHBondContact O-N 2.94Å; T96-R99 PolarHBondContact O-N 3.28Å; T96-V100 WeakPolarHBondContact O-CB 3.27Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.35Å; T96-V100 PolarHBondContact O-N 2.98Å; T96-Y146 HydrophobicContact CG2-CD2 3.98Å; T96-Y146 HydrophobicContact CG2-CE2 3.46Å; T96-Y146 VanDerWaalsContact CG2-CE2 3.46Å |
| 97 | E | 90.8 | Very high | 89.8 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -45 | 178.4 | -74.7 | 177.4 | 174.2 | 0 | 0 | 111.4 | K93 L94 A101 | K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CG 3.2Å; K93-E97 PolarHBondContact O-N 3.45Å; L94-E97 PolarHBondContact O-N 3.2Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.08Å |
| 98 | V | 90.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | I40 Q44 A46 L94 T96 A101 N102 | I40-V98 HydrophobicContact CG2-CG2 4.2Å; Q44-V98 WeakPolarHBondContact O-CG1 3.33Å; A46-V98 HydrophobicContact CB-CB 4.21Å; A46-V98 HydrophobicContact CB-CG1 3.96Å; L94-V98 HydrophobicContact CD1-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.24Å; T96-V98 PolarHBondContact O-N 2.94Å; V98-A101 PolarHBondContact O-N 2.98Å; V98-N102 WeakPolarHBondContact O-CB 3.39Å; V98-N102 VanDerWaalsContact O-CG 3.29Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-ND2 2.97Å |
| 99 | R | 87.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.9 | -75.5 | 171.5 | -174.1 | -125.5 | -3 | 111.9 | A46 C95 T96 N102 E103 | A46-R99 HydrophobicContact CB-CG 4.28Å; A46-R99 PolarHBondContact O-NH2 2.73Å; C95-R99 WeakPolarHBondContact O-CB 3.46Å; C95-R99 WeakPolarHBondContact O-CD 3.38Å; C95-R99 WeakPolarHBondContact O-CG 3.34Å; C95-R99 PolarHBondContact O-N 3.13Å; T96-R99 PolarHBondContact O-N 3.28Å; R99-N102 PolarHBondContact O-N 3.18Å; R99-E103 PolarHBondContact O-N 3.14Å |
| 100 | V | 86.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 61 Ų | 61 | 35% | 0.345 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | T96 N102 E103 L104 S141 | T96-V100 WeakPolarHBondContact O-CB 3.27Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.35Å; T96-V100 PolarHBondContact O-N 2.98Å; V100-N102 VanDerWaalsContact C-N 3.31Å; V100-N102 PolarHBondContact O-N 3.43Å; V100-E103 PolarHBondContact O-N 3.41Å; V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.21Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 3.04Å; V100-S141 WeakPolarHBondContact CG2-O 3.33Å |
| 101 | A | 87.3 | Confident | 86.5 | Confident | 35 Ų | 35 | 63 Ų | 63 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E97 V98 L104 N105 | E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.08Å; V98-A101 PolarHBondContact O-N 2.98Å; A101-L104 PolarHBondContact O-N 3.47Å; A101-N105 WeakPolarHBondContact O-CB 3.23Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 PolarHBondContact O-ND2 2.88Å |
| 102 | N | 86.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.2 | -73.5 | -14.9 | 0 | 0 | 0 | 112.4 | Q44 V98 R99 V100 N105 A106 | Q44-N102 PolarHBondContact O-ND2 3.21Å; V98-N102 WeakPolarHBondContact O-CB 3.39Å; V98-N102 VanDerWaalsContact O-CG 3.29Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-ND2 2.97Å; R99-N102 PolarHBondContact O-N 3.18Å; V100-N102 VanDerWaalsContact C-N 3.31Å; V100-N102 PolarHBondContact O-N 3.43Å; N102-N105 PolarHBondContact O-N 2.74Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.01Å |
| 103 | E | 84.4 | Confident | 84.5 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.7 | -167.4 | -175 | 161.8 | 0 | 0 | 111.6 | R99 V100 N105 A106 R107 | R99-E103 PolarHBondContact O-N 3.14Å; V100-E103 PolarHBondContact O-N 3.41Å; E103-N105 VanDerWaalsContact C-N 3.31Å; E103-N105 PolarHBondContact O-N 3.46Å; E103-A106 PolarHBondContact O-N 3.49Å; E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.07Å; E103-R107 IonicContact OE1-CZ 3.36Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.5Å; E103-R107 IonicContact OE1-NH2 2.71Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å |
| 104 | L | 84.8 | Confident | 82.9 | Confident | 84 Ų | 84 | 67 Ų | 67 | 44% | 0.44 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 176.3 | -70.5 | 171.8 | 0 | 0 | 0 | 112.2 | V100 A101 R108 | V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.21Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 3.04Å; A101-L104 PolarHBondContact O-N 3.47Å; L104-R108 WeakPolarHBondContact O-CG 3.34Å; L104-R108 PolarHBondContact O-N 3.43Å |
| 105 | N | 85.2 | Confident | 81.2 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 176.6 | -70.8 | -17.4 | 0 | 0 | 0 | 112.4 | A101 N102 E103 R109 | A101-N105 WeakPolarHBondContact O-CB 3.23Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 PolarHBondContact O-ND2 2.88Å; N102-N105 PolarHBondContact O-N 2.74Å; E103-N105 VanDerWaalsContact C-N 3.31Å; E103-N105 PolarHBondContact O-N 3.46Å; N105-R109 WeakPolarHBondContact O-CG 3.33Å; N105-R109 PolarHBondContact O-N 3.42Å; N105-R109 PolarHBondContact O-NE 3.28Å |
| 106 | A | 83.3 | Confident | 79.6 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N102 E103 R108 R109 S110 | N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.01Å; E103-A106 PolarHBondContact O-N 3.49Å; A106-R108 PolarHBondContact O-N 3.48Å; A106-R109 WeakPolarHBondContact O-CB 3.38Å; A106-R109 PolarHBondContact O-N 3.3Å; A106-S110 PolarHBondContact O-N 3.39Å |
| 107 | R | 80.3 | Confident | 77.8 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 32% | 0.317 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.2 | -72.4 | -179.3 | -173.2 | -146.8 | 0.5 | 112 | E103 R109 S110 F111 A124 | E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.07Å; E103-R107 IonicContact OE1-CZ 3.36Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.5Å; E103-R107 IonicContact OE1-NH2 2.71Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.25Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 2.97Å; R107-S110 VanDerWaalsContact O-N 3.16Å; R107-S110 PolarHBondContact O-OG 3.46Å; R107-F111 HydrophobicContact CB-CD2 4.46Å; R107-F111 HydrophobicContact CB-CE2 4.37Å; R107-F111 WeakPolarHBondContact O-CD2 3.48Å; R107-F111 PolarHBondContact O-N 3.25Å; R107-A124 PolarHBondContact NH2-O 3.39Å |
| 108 | R | 82 | Confident | 75.7 | Confident | 165 Ų | 165 | 90.2 Ų | 90.2 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | 176.1 | -82.9 | -171.8 | -96.8 | -154.5 | -2.6 | 112.5 | L104 A106 A112 | L104-R108 WeakPolarHBondContact O-CG 3.34Å; L104-R108 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.48Å; R108-A112 PolarHBondContact O-N 3.23Å |
| 109 | R | 81.4 | Confident | 73.9 | Confident | 177 Ų | 177 | 98 Ų | 98 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -39.5 | 175.3 | -75.6 | -178 | -75.8 | 155.5 | -6.7 | 112.5 | N105 A106 R107 A112 A113 | N105-R109 WeakPolarHBondContact O-CG 3.33Å; N105-R109 PolarHBondContact O-N 3.42Å; N105-R109 PolarHBondContact O-NE 3.28Å; A106-R109 WeakPolarHBondContact O-CB 3.38Å; A106-R109 PolarHBondContact O-N 3.3Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.25Å; R109-A112 PolarHBondContact O-N 2.97Å; R109-A113 WeakPolarHBondContact O-CB 3.33Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.08Å |
| 110 | S | 75.1 | Confident | 72.1 | Confident | 46 Ų | 46 | 103.3 Ų | 103.3 | 32% | 0.322 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | A106 R107 A113 A114 | A106-S110 PolarHBondContact O-N 3.39Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 2.97Å; R107-S110 VanDerWaalsContact O-N 3.16Å; R107-S110 PolarHBondContact O-OG 3.46Å; S110-A113 PolarHBondContact O-N 2.91Å; S110-A114 VanDerWaalsContact O-CB 3.25Å; S110-A114 WeakPolarHBondContact O-CB 3.29Å; S110-A114 PolarHBondContact O-N 2.89Å |
| 111 | F | 74.3 | Confident | 70.5 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 174.6 | -78.2 | -67.1 | 0 | 0 | 0 | 112.6 | R107 A113 A114 D115 V121 | R107-F111 HydrophobicContact CB-CD2 4.46Å; R107-F111 HydrophobicContact CB-CE2 4.37Å; R107-F111 WeakPolarHBondContact O-CD2 3.48Å; R107-F111 PolarHBondContact O-N 3.25Å; F111-A113 PolarHBondContact O-N 3.45Å; F111-A114 PolarHBondContact O-N 3.24Å; F111-D115 PolarHBondContact O-N 3.27Å; F111-V121 HydrophobicContact CE1-CG2 4.48Å |
| 112 | A | 75 | Confident | 68.5 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -27.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | R108 R109 | R108-A112 PolarHBondContact O-N 3.23Å; R109-A112 PolarHBondContact O-N 2.97Å |
| 113 | A | 70 | Confident | 66.8 | Low | 60 Ų | 60 | 113.8 Ų | 113.8 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -84.5 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R109 S110 F111 D115 S116 | R109-A113 WeakPolarHBondContact O-CB 3.33Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.08Å; S110-A113 PolarHBondContact O-N 2.91Å; F111-A113 PolarHBondContact O-N 3.45Å; A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.22Å; A113-S116 PolarHBondContact O-N 3.37Å; A113-S116 PolarHBondContact O-OG 2.89Å |
| 114 | A | 61.2 | Low | 65.4 | Low | 36 Ų | 36 | 112.7 Ų | 112.7 | 30% | 0.298 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.8 | -18 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S110 F111 S116 K117 | S110-A114 VanDerWaalsContact O-CB 3.25Å; S110-A114 WeakPolarHBondContact O-CB 3.29Å; S110-A114 PolarHBondContact O-N 2.89Å; F111-A114 PolarHBondContact O-N 3.24Å; A114-S116 PolarHBondContact O-N 3.46Å; A114-K117 CarbonylContact O-C 3.31Å; A114-K117 PolarHBondContact O-N 3.29Å; A114-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 VanDerWaalsContact O-O 3.11Å |
| 115 | D | 57 | Low | 64 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -6.1 | 168 | -155.7 | 38.6 | 0 | 0 | 0 | 112.8 | F111 A113 | F111-D115 PolarHBondContact O-N 3.27Å; A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.22Å |
| 116 | S | 58.1 | Low | 62.7 | Low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -14.7 | 174.5 | 71.5 | 0 | 0 | 0 | 0 | 115.9 | A113 A114 | A113-S116 PolarHBondContact O-N 3.37Å; A113-S116 PolarHBondContact O-OG 2.89Å; A114-S116 PolarHBondContact O-N 3.46Å |
| 117 | K | 52.1 | Low | 61.9 | Low | 166 Ų | 166 | 123.2 Ų | 123.2 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -155.7 | 126.8 | 177.4 | -72.6 | -167.1 | 178 | -179.7 | 0 | 111.7 | A114 E119 | A114-K117 CarbonylContact O-C 3.31Å; A114-K117 PolarHBondContact O-N 3.29Å; A114-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 VanDerWaalsContact O-O 3.11Å; K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 PolarHBondContact O-N 3.5Å |
| 118 | D | 47.7 | Very low | 61.1 | Low | 181 Ų | 181 | 121.2 Ų | 121.2 | 97% | 0.968 | 62% | 0.622 | S | S | * | * | trans | -60.1 | 86.9 | 168.9 | -69.2 | -50.1 | 0 | 0 | 0 | 110.9 | ||||
| 119 | E | 52.6 | Low | 59.9 | Low | 168 Ų | 168 | 116.2 Ų | 116.2 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | trans | -125.5 | 120.6 | 165.2 | -129.1 | -172.9 | 159.7 | 0 | 0 | 108.2 | K117 V121 | K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 PolarHBondContact O-N 3.5Å; E119-V121 PolarHBondContact O-N 2.95Å | ||
| 120 | E | 49.3 | Very low | 58.9 | Low | 197 Ų | 197 | 113.4 Ų | 113.4 | 92% | 0.921 | 60% | 0.603 | S | S | * | * | trans | -54 | 107.7 | 178.2 | -72.9 | -177.3 | 142.9 | 0 | 0 | 110.2 | K122 | E120-K122 VanDerWaalsContact C-N 3.35Å; E120-K122 PolarHBondContact O-N 2.97Å | ||
| 121 | V | 53.2 | Low | 58.4 | Low | 62 Ų | 62 | 115.6 Ų | 115.6 | 38% | 0.376 | 61% | 0.611 | S | S | . | * | trans | -62.7 | 96.8 | 173.1 | 177 | 0 | 0 | 0 | 0 | 108 | F111 E119 V123 | F111-V121 HydrophobicContact CE1-CG2 4.48Å; E119-V121 PolarHBondContact O-N 2.95Å; V121-V123 PolarHBondContact O-N 3.39Å | ||
| 122 | K | 44.5 | Very low | 57.8 | Low | 205 Ų | 205 | 118.4 Ų | 118.4 | 89% | 0.891 | 62% | 0.623 | S | S | * | * | trans | -59.2 | 99.1 | 170.5 | -112.7 | 177.6 | 179.9 | 173.2 | 0 | 108.5 | E120 A124 | E120-K122 VanDerWaalsContact C-N 3.35Å; E120-K122 PolarHBondContact O-N 2.97Å; K122-A124 PolarHBondContact O-N 2.91Å; K122-A124 VanDerWaalsContact O-N 3.13Å | ||
| 123 | V | 51.9 | Low | 57.6 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 62% | 0.624 | 61% | 0.608 | S | S | * | * | trans | -62.5 | 114.1 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | V121 | V121-V123 PolarHBondContact O-N 3.39Š| ||
| 124 | A | 53.9 | Low | 57.4 | Low | 55 Ų | 55 | 120 Ų | 120 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | trans | -59.1 | 128.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | R107 K122 | R107-A124 PolarHBondContact NH2-O 3.39Å; K122-A124 PolarHBondContact O-N 2.91Å; K122-A124 VanDerWaalsContact O-N 3.13Å | ||
| 125 | P | 55.5 | Low | 57.8 | Low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -64.5 | 139.3 | -172.2 | 23.1 | -31.4 | 0 | 0 | 0 | 111.2 | R127 | P125-R127 PolarHBondContact O-N 3.07Å; P125-R127 VanDerWaalsContact O-N 3.08Å | ||
| 126 | R | 59.1 | Low | 58.6 | Low | 218 Ų | 218 | 121.9 Ų | 121.9 | 82% | 0.823 | 62% | 0.615 | S | S | * | * | trans | -72.8 | 99.3 | 178.5 | -166.6 | 179.4 | -174.1 | 178.8 | 1.1 | 108.6 | S128 | R126-S128 PolarHBondContact O-N 3.49Š| ||
| 127 | R | 65.3 | Low | 59.7 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 35% | 0.347 | 60% | 0.602 | S | S | . | * | trans | -71.4 | 124.9 | -176.6 | -58.5 | 177.7 | -176.1 | -179.8 | -5.3 | 110.6 | P125 D131 Q139 S141 | P125-R127 PolarHBondContact O-N 3.07Å; P125-R127 VanDerWaalsContact O-N 3.08Å; R127-D131 WeakPolarHBondContact CA-OD2 3.21Å; R127-Q139 VanDerWaalsContact NH1-OE1 3.11Å; R127-S141 PolarHBondContact O-N 3.34Å; R127-S141 PolarHBondContact O-OG 2.79Å | ||
| 128 | S | 64.5 | Low | 61.3 | Low | 42 Ų | 42 | 113.9 Ų | 113.9 | 29% | 0.294 | 57% | 0.568 | S | S | . | * | trans | -119.1 | 162.7 | -178.8 | -177 | 0 | 0 | 0 | 0 | 111.6 | R126 L130 D131 D145 | R126-S128 PolarHBondContact O-N 3.49Å; S128-L130 PolarHBondContact O-N 2.88Å; S128-D131 PolarHBondContact N-OD2 3.36Å; S128-D131 WeakPolarHBondContact O-CB 3.35Å; S128-D131 PolarHBondContact O-N 3.47Å; S128-D131 VanDerWaalsContact O-N 3.12Å; S128-D145 PolarHBondContact OG-OD1 2.9Å | ||
| 129 | F | 57 | Low | 62.9 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 26% | 0.263 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.7 | 174.6 | 177.5 | -111 | 0 | 0 | 0 | 113.8 | D131 W140 D145 C149 | F129-D131 VanDerWaalsContact C-N 3.29Å; F129-D131 PolarHBondContact O-N 2.97Å; F129-W140 AromaticContact CD2-CH2 3.88Å; F129-W140 HydrophobicContact CD2-CH2 3.88Å; F129-W140 AromaticContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ3 4.48Å; F129-W140 HydrophobicContact CE2-CH2 4.23Å; F129-W140 HydrophobicContact CE2-CZ2 4.26Å; F129-D145 HydrophobicContact CB-CB 3.82Å; F129-D145 WeakPolarHBondContact CB-OD1 3.38Å; F129-D145 PolarHBondContact N-OD1 2.87Å; F129-D145 VanDerWaalsContact N-OD1 3.17Å; F129-C149 HydrophobicContact CD2-CB 3.84Å; F129-C149 HydrophobicContact CE2-CB 3.44Å; F129-C149 VanDerWaalsContact CE2-CB 3.44Å; F129-C149 HydrophobicContact CZ-CB 4.35Å |
| 130 | L | 60.5 | Low | 64.4 | Low | 119 Ų | 119 | 101.8 Ų | 101.8 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.9 | -178.5 | -63.5 | 175.6 | 0 | 0 | 0 | 113.9 | S128 F132 | S128-L130 PolarHBondContact O-N 2.88Å; L130-F132 WeakPolarHBondContact O-CD2 3.45Å; L130-F132 PolarHBondContact O-N 2.82Å |
| 131 | D | 64.1 | Low | 65.7 | Low | 91 Ų | 91 | 94 Ų | 94 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | trans | -76.4 | 92.7 | 172 | -62.3 | -34.2 | 0 | 0 | 0 | 107.5 | R127 S128 F129 D133 | R127-D131 WeakPolarHBondContact CA-OD2 3.21Å; S128-D131 PolarHBondContact N-OD2 3.36Å; S128-D131 WeakPolarHBondContact O-CB 3.35Å; S128-D131 PolarHBondContact O-N 3.47Å; S128-D131 VanDerWaalsContact O-N 3.12Å; F129-D131 VanDerWaalsContact C-N 3.29Å; F129-D131 PolarHBondContact O-N 2.97Å; D131-D133 PolarHBondContact O-N 3.22Å | ||
| 132 | F | 60.6 | Low | 67.2 | Low | 187 Ų | 187 | 93.2 Ų | 93.2 | 82% | 0.82 | 47% | 0.469 | S | S | * | . | trans | -69.8 | 37.6 | 179.6 | -72.2 | -82.5 | 0 | 0 | 0 | 113.4 | L130 P134 | L130-F132 WeakPolarHBondContact O-CD2 3.45Å; L130-F132 PolarHBondContact O-N 2.82Å; F132-P134 WeakPolarHBondContact O-CD 3.47Å | ||
| 133 | D | 71.1 | Confident | 69.3 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 34% | 0.342 | 44% | 0.439 | S | S | . | . | trans | -92 | 110.1 | 175.1 | -171.2 | -7.3 | 0 | 0 | 0 | 110.1 | D131 H135 H136 | D131-D133 PolarHBondContact O-N 3.22Å; D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 VanDerWaalsContact O-N 3.17Å; D133-H135 IonicContact OD1-CD2 3.78Å; D133-H135 PolarHBondContact OD1-N 3.05Å; D133-H135 VanDerWaalsContact OD1-N 3.12Å; D133-H136 PolarHBondContact O-N 2.91Å; D133-H136 VanDerWaalsContact O-N 3.12Å; D133-H136 IonicContact OD2-CE1 2.91Å; D133-H136 PolarHBondContact OD2-CE1 3.49Å; D133-H136 IonicContact OD2-ND1 3.82Å; D133-H136 PolarHBondContact OD2-ND1 2.84Å | ||
| 134 | P | 66.7 | Low | 71.1 | Confident | 109 Ų | 109 | 84.2 Ų | 84.2 | 71% | 0.708 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -60.4 | -26.9 | -178.8 | -20.2 | 32.6 | 0 | 0 | 0 | 113.1 | F132 H136 F137 | F132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-H136 PolarHBondContact O-N 2.87Å; P134-F137 WeakPolarHBondContact O-CB 3.49Å; P134-F137 PolarHBondContact O-N 3.44Å |
| 135 | H | 70.1 | Confident | 72.8 | Confident | 162 Ų | 162 | 82.2 Ų | 82.2 | 75% | 0.75 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -69.5 | -20.4 | -179.7 | -73.4 | -66.7 | 0 | 0 | 0 | 113.3 | D133 | D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 VanDerWaalsContact O-N 3.17Å; D133-H135 IonicContact OD1-CD2 3.78Å; D133-H135 PolarHBondContact OD1-N 3.05Å; D133-H135 VanDerWaalsContact OD1-N 3.12Å |
| 136 | H | 72.1 | Confident | 74.6 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -112.1 | 12 | -177.8 | -62.3 | 103.6 | 0 | 0 | 0 | 113 | D133 P134 W138 Q139 | D133-H136 PolarHBondContact O-N 2.91Å; D133-H136 VanDerWaalsContact O-N 3.12Å; D133-H136 IonicContact OD2-CE1 2.91Å; D133-H136 PolarHBondContact OD2-CE1 3.49Å; D133-H136 IonicContact OD2-ND1 3.82Å; D133-H136 PolarHBondContact OD2-ND1 2.84Å; P134-H136 PolarHBondContact O-N 2.87Å; H136-W138 PolarHBondContact O-N 3.29Å; H136-Q139 PolarHBondContact O-N 2.92Å |
| 137 | F | 82.8 | Confident | 76.2 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.6 | 179.3 | -179 | -108 | 0 | 0 | 0 | 111.3 | Y52 L55 P134 Q139 W140 | Y52-F137 PolarHBondContact OH-O 3.45Å; L55-F137 HydrophobicContact CD2-CD1 4.46Å; L55-F137 HydrophobicContact CD2-CE1 3.61Å; L55-F137 HydrophobicContact CD2-CZ 4.34Å; P134-F137 WeakPolarHBondContact O-CB 3.49Å; P134-F137 PolarHBondContact O-N 3.44Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.15Å; F137-W140 HydrophobicContact CD2-CH2 4.5Å; F137-W140 HydrophobicContact CD2-CZ2 4.18Å; F137-W140 HydrophobicContact CE2-CH2 4.13Å; F137-W140 HydrophobicContact CE2-CZ2 4.22Å |
| 138 | W | 84.6 | Confident | 77.5 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.9 | 179.9 | -148.5 | -102.2 | 0 | 0 | 0 | 116.1 | T51 Y52 L55 L58 L92 H136 W140 Y146 C149 V150 | T51-W138 PolarHBondContact O-NE1 3.44Å; Y52-W138 HydrophobicContact CD1-CB 4.16Å; Y52-W138 HydrophobicContact CD1-CG 4.42Å; Y52-W138 HydrophobicContact CE1-CB 3.78Å; Y52-W138 HydrophobicContact CE1-CG 4.48Å; L55-W138 HydrophobicContact CB-CD2 3.87Å; L55-W138 VanDerWaalsContact CB-CE2 3.48Å; L55-W138 HydrophobicContact CB-CE3 4.46Å; L55-W138 HydrophobicContact CB-CG 4.22Å; L55-W138 HydrophobicContact CB-CH2 4.33Å; L55-W138 HydrophobicContact CB-CZ2 3.72Å; L55-W138 HydrophobicContact CD1-CD2 4.02Å; L55-W138 HydrophobicContact CD1-CE3 3.72Å; L55-W138 HydrophobicContact CD1-CH2 3.67Å; L55-W138 HydrophobicContact CD1-CZ2 3.97Å; L55-W138 HydrophobicContact CD1-CZ3 3.55Å; L55-W138 HydrophobicContact CD2-CB 4.45Å; L55-W138 HydrophobicContact CD2-CD2 4.07Å; L55-W138 HydrophobicContact CD2-CE3 4.29Å; L55-W138 HydrophobicContact CD2-CG 4.14Å; L55-W138 HydrophobicContact CG-CD2 4.19Å; L55-W138 HydrophobicContact CG-CE3 4.37Å; L55-W138 HydrophobicContact CG-CZ2 4.41Å; L58-W138 HydrophobicContact CD1-CH2 4.25Å; L58-W138 HydrophobicContact CD1-CZ2 4.08Å; L92-W138 HydrophobicContact CD2-CZ2 3.92Å; H136-W138 PolarHBondContact O-N 3.29Å; W138-W140 HydrophobicContact CD2-CZ3 4.22Å; W138-W140 HydrophobicContact CE3-CE3 4.39Å; W138-W140 AromaticContact CE3-CH2 3.63Å; W138-W140 HydrophobicContact CE3-CH2 3.63Å; W138-W140 AromaticContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CZ3-CH2 4Å; W138-W140 AromaticContact CZ3-CZ3 3.63Å; W138-W140 HydrophobicContact CZ3-CZ3 3.63Å; W138-Y146 AromaticContact CD2-CD1 3.83Å; W138-Y146 HydrophobicContact CD2-CD1 3.83Å; W138-Y146 AromaticContact CD2-CE1 3.93Å; W138-Y146 HydrophobicContact CD2-CE1 3.93Å; W138-Y146 AromaticContact CE2-CD1 3.64Å; W138-Y146 AromaticContact CE2-CE1 3.9Å; W138-Y146 HydrophobicContact CE3-CD1 4.12Å; W138-Y146 HydrophobicContact CG-CD1 4.41Å; W138-Y146 HydrophobicContact CG-CE1 4.03Å; W138-Y146 HydrophobicContact CH2-CD1 4.14Å; W138-Y146 AromaticContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ3-CD1 4.26Å; W138-Y146 AromaticContact NE1-CE1 3.93Å; W138-Y146 PolarHBondContact O-OH 3.13Å; W138-C149 HydrophobicContact CZ3-CB 4.17Å; W138-V150 HydrophobicContact CH2-CG2 3.93Å |
| 139 | Q | 81.8 | Confident | 78.9 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | trans | -118.7 | 41.8 | 172.4 | -59.6 | -175.5 | 1.1 | 0 | 0 | 112.1 | R127 H136 F137 | R127-Q139 VanDerWaalsContact NH1-OE1 3.11Å; H136-Q139 PolarHBondContact O-N 2.92Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.15Å | ||
| 140 | W | 83.4 | Confident | 80.7 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | trans | -76.3 | 153.1 | -178.5 | -55 | -53.9 | 0 | 0 | 0 | 113 | F129 F137 W138 D145 Y146 C149 | F129-W140 AromaticContact CD2-CH2 3.88Å; F129-W140 HydrophobicContact CD2-CH2 3.88Å; F129-W140 AromaticContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ3 4.48Å; F129-W140 HydrophobicContact CE2-CH2 4.23Å; F129-W140 HydrophobicContact CE2-CZ2 4.26Å; F137-W140 HydrophobicContact CD2-CH2 4.5Å; F137-W140 HydrophobicContact CD2-CZ2 4.18Å; F137-W140 HydrophobicContact CE2-CH2 4.13Å; F137-W140 HydrophobicContact CE2-CZ2 4.22Å; W138-W140 HydrophobicContact CD2-CZ3 4.22Å; W138-W140 HydrophobicContact CE3-CE3 4.39Å; W138-W140 AromaticContact CE3-CH2 3.63Å; W138-W140 HydrophobicContact CE3-CH2 3.63Å; W138-W140 AromaticContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CZ3-CH2 4Å; W138-W140 AromaticContact CZ3-CZ3 3.63Å; W138-W140 HydrophobicContact CZ3-CZ3 3.63Å; W140-D145 HydrophobicContact CB-CB 3.69Å; W140-D145 HydrophobicContact CD2-CB 3.94Å; W140-D145 HydrophobicContact CE3-CB 4.03Å; W140-D145 HydrophobicContact CG-CB 3.8Å; W140-Y146 HydrophobicContact CB-CD2 4.38Å; W140-Y146 HydrophobicContact CB-CE2 3.8Å; W140-Y146 HydrophobicContact CD2-CE1 4.46Å; W140-Y146 AromaticContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD2 4.09Å; W140-Y146 AromaticContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE2 4.3Å; W140-Y146 AromaticContact CE3-CG 3.64Å; W140-Y146 HydrophobicContact CE3-CG 3.64Å; W140-Y146 AromaticContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CE1 4.21Å; W140-Y146 HydrophobicContact CZ3-CG 4.12Å; W140-Y146 PolarHBondContact N-OH 2.71Å; W140-Y146 WeakPolarHBondContact O-CE2 3.44Å; W140-Y146 PolarHBondContact O-OH 3.25Å; W140-C149 HydrophobicContact CH2-CB 3.47Å; W140-C149 VanDerWaalsContact CH2-CB 3.47Å; W140-C149 HydrophobicContact CZ3-CB 3.61Å | ||
| 141 | S | 77.3 | Confident | 82.4 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -82.4 | -24.6 | -176.7 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | V100 R127 | V100-S141 WeakPolarHBondContact CG2-O 3.33Å; R127-S141 PolarHBondContact O-N 3.34Å; R127-S141 PolarHBondContact O-OG 2.79Å |
| 142 | S | 84.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -114.7 | 139.5 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | S144 D145 Y146 | S142-S144 PolarHBondContact O-N 2.94Å; S142-S144 PolarHBondContact OG-N 3.29Å; S142-D145 WeakPolarHBondContact CB-OD2 3.28Å; S142-D145 WeakPolarHBondContact O-CB 3.38Å; S142-D145 PolarHBondContact O-N 3.16Å; S142-Y146 WeakPolarHBondContact O-CD2 3.22Å |
| 143 | F | 89.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.9 | -33.8 | 172 | 177.6 | -114 | 0 | 0 | 0 | 112.6 | L89 L92 K93 D145 Y146 V147 | L89-F143 HydrophobicContact CB-CZ 4.49Å; L89-F143 WeakPolarHBondContact O-CE2 3.43Å; L92-F143 HydrophobicContact CB-CE2 4.43Å; K93-F143 HydrophobicContact CB-CD2 3.77Å; K93-F143 HydrophobicContact CB-CE1 4.47Å; K93-F143 HydrophobicContact CB-CE2 3.71Å; K93-F143 HydrophobicContact CB-CG 4.2Å; K93-F143 HydrophobicContact CB-CZ 4.07Å; K93-F143 HydrophobicContact CG-CD1 4.45Å; K93-F143 HydrophobicContact CG-CD2 4.39Å; K93-F143 HydrophobicContact CG-CG 4.32Å; F143-D145 VanDerWaalsContact C-N 3.28Å; F143-D145 PolarHBondContact O-N 2.83Å; F143-Y146 PolarHBondContact O-N 3.49Å; F143-V147 HydrophobicContact CD1-CG2 4.04Å; F143-V147 HydrophobicContact CD2-CG2 4.49Å; F143-V147 HydrophobicContact CE1-CG2 3.48Å; F143-V147 VanDerWaalsContact CE1-CG2 3.48Å; F143-V147 HydrophobicContact CE2-CG2 3.97Å; F143-V147 HydrophobicContact CZ-CG2 3.44Å; F143-V147 VanDerWaalsContact CZ-CG2 3.44Å; F143-V147 PolarHBondContact O-N 3.39Å |
| 144 | S | 88.4 | Confident | 86.9 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | S142 Y146 V147 Q148 | S142-S144 PolarHBondContact O-N 2.94Å; S142-S144 PolarHBondContact OG-N 3.29Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; S144-Y146 PolarHBondContact O-N 2.95Å; S144-V147 PolarHBondContact O-N 2.94Å; S144-Q148 WeakPolarHBondContact O-CB 3.45Å; S144-Q148 WeakPolarHBondContact O-CG 3.5Å; S144-Q148 PolarHBondContact O-N 3.08Å |
| 145 | D | 90.3 | Very high | 88.3 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 179.1 | -66.9 | -45.7 | 0 | 0 | 0 | 110.8 | S128 F129 W140 S142 F143 Q148 C149 | S128-D145 PolarHBondContact OG-OD1 2.9Å; F129-D145 HydrophobicContact CB-CB 3.82Å; F129-D145 WeakPolarHBondContact CB-OD1 3.38Å; F129-D145 PolarHBondContact N-OD1 2.87Å; F129-D145 VanDerWaalsContact N-OD1 3.17Å; W140-D145 HydrophobicContact CB-CB 3.69Å; W140-D145 HydrophobicContact CD2-CB 3.94Å; W140-D145 HydrophobicContact CE3-CB 4.03Å; W140-D145 HydrophobicContact CG-CB 3.8Å; S142-D145 WeakPolarHBondContact CB-OD2 3.28Å; S142-D145 WeakPolarHBondContact O-CB 3.38Å; S142-D145 PolarHBondContact O-N 3.16Å; F143-D145 VanDerWaalsContact C-N 3.28Å; F143-D145 PolarHBondContact O-N 2.83Å; D145-Q148 PolarHBondContact O-N 3.45Å; D145-C149 PolarHBondContact O-N 3.47Å |
| 146 | Y | 91.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 175.7 | -62.7 | -87.2 | 0 | 0 | 0 | 112.3 | L92 T96 W138 W140 S142 F143 S144 Q148 C149 V150 | L92-Y146 HydrophobicContact CD1-CD1 3.92Å; L92-Y146 HydrophobicContact CD1-CE1 3.91Å; L92-Y146 HydrophobicContact CD1-CG 4.26Å; L92-Y146 VanDerWaalsContact CD2-CB 3.43Å; L92-Y146 HydrophobicContact CD2-CD1 3.59Å; L92-Y146 HydrophobicContact CD2-CD2 4.34Å; L92-Y146 HydrophobicContact CD2-CE1 4.42Å; L92-Y146 HydrophobicContact CD2-CG 3.53Å; L92-Y146 HydrophobicContact CG-CD1 4.08Å; L92-Y146 HydrophobicContact CG-CD2 4.33Å; L92-Y146 HydrophobicContact CG-CG 3.97Å; T96-Y146 HydrophobicContact CG2-CD2 3.98Å; T96-Y146 HydrophobicContact CG2-CE2 3.46Å; T96-Y146 VanDerWaalsContact CG2-CE2 3.46Å; W138-Y146 AromaticContact CD2-CD1 3.83Å; W138-Y146 HydrophobicContact CD2-CD1 3.83Å; W138-Y146 AromaticContact CD2-CE1 3.93Å; W138-Y146 HydrophobicContact CD2-CE1 3.93Å; W138-Y146 AromaticContact CE2-CD1 3.64Å; W138-Y146 AromaticContact CE2-CE1 3.9Å; W138-Y146 HydrophobicContact CE3-CD1 4.12Å; W138-Y146 HydrophobicContact CG-CD1 4.41Å; W138-Y146 HydrophobicContact CG-CE1 4.03Å; W138-Y146 HydrophobicContact CH2-CD1 4.14Å; W138-Y146 AromaticContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ3-CD1 4.26Å; W138-Y146 AromaticContact NE1-CE1 3.93Å; W138-Y146 PolarHBondContact O-OH 3.13Å; W140-Y146 HydrophobicContact CB-CD2 4.38Å; W140-Y146 HydrophobicContact CB-CE2 3.8Å; W140-Y146 HydrophobicContact CD2-CE1 4.46Å; W140-Y146 AromaticContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD2 4.09Å; W140-Y146 AromaticContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE2 4.3Å; W140-Y146 AromaticContact CE3-CG 3.64Å; W140-Y146 HydrophobicContact CE3-CG 3.64Å; W140-Y146 AromaticContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CE1 4.21Å; W140-Y146 HydrophobicContact CZ3-CG 4.12Å; W140-Y146 PolarHBondContact N-OH 2.71Å; W140-Y146 WeakPolarHBondContact O-CE2 3.44Å; W140-Y146 PolarHBondContact O-OH 3.25Å; S142-Y146 WeakPolarHBondContact O-CD2 3.22Å; F143-Y146 PolarHBondContact O-N 3.49Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; S144-Y146 PolarHBondContact O-N 2.95Å; Y146-Q148 VanDerWaalsContact C-N 3.33Å; Y146-Q148 PolarHBondContact O-N 2.87Å; Y146-C149 PolarHBondContact O-N 2.87Å; Y146-V150 VanDerWaalsContact O-CG2 3.26Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 3.04Å |
| 147 | V | 93.9 | Very high | 90.8 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | F143 S144 C149 V150 L151 | F143-V147 HydrophobicContact CD1-CG2 4.04Å; F143-V147 HydrophobicContact CD2-CG2 4.49Å; F143-V147 HydrophobicContact CE1-CG2 3.48Å; F143-V147 VanDerWaalsContact CE1-CG2 3.48Å; F143-V147 HydrophobicContact CE2-CG2 3.97Å; F143-V147 HydrophobicContact CZ-CG2 3.44Å; F143-V147 VanDerWaalsContact CZ-CG2 3.44Å; F143-V147 PolarHBondContact O-N 3.39Å; S144-V147 PolarHBondContact O-N 2.94Å; V147-C149 PolarHBondContact O-N 3.37Å; V147-V150 PolarHBondContact O-N 2.94Å; V147-L151 HydrophobicContact CG1-CD1 3.87Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.25Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.32Å |
| 148 | Q | 92.8 | Very high | 91.5 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 175.9 | -75.5 | 175 | -13.5 | 0 | 0 | 111.7 | S144 D145 Y146 V150 L151 A152 | S144-Q148 WeakPolarHBondContact O-CB 3.45Å; S144-Q148 WeakPolarHBondContact O-CG 3.5Å; S144-Q148 PolarHBondContact O-N 3.08Å; D145-Q148 PolarHBondContact O-N 3.45Å; Y146-Q148 VanDerWaalsContact C-N 3.33Å; Y146-Q148 PolarHBondContact O-N 2.87Å; Q148-V150 VanDerWaalsContact C-N 3.34Å; Q148-V150 PolarHBondContact O-N 2.91Å; Q148-L151 PolarHBondContact O-N 3.39Å; Q148-A152 VanDerWaalsContact O-CB 3.28Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.33Å |
| 149 | C | 93 | Very high | 92.1 | Very high | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.9 | -175 | 0 | 0 | 0 | 0 | 112.2 | F129 W138 W140 D145 Y146 V147 A152 F153 | F129-C149 HydrophobicContact CD2-CB 3.84Å; F129-C149 HydrophobicContact CE2-CB 3.44Å; F129-C149 VanDerWaalsContact CE2-CB 3.44Å; F129-C149 HydrophobicContact CZ-CB 4.35Å; W138-C149 HydrophobicContact CZ3-CB 4.17Å; W140-C149 HydrophobicContact CH2-CB 3.47Å; W140-C149 VanDerWaalsContact CH2-CB 3.47Å; W140-C149 HydrophobicContact CZ3-CB 3.61Å; D145-C149 PolarHBondContact O-N 3.47Å; Y146-C149 PolarHBondContact O-N 2.87Å; V147-C149 PolarHBondContact O-N 3.37Å; C149-A152 PolarHBondContact O-N 3.46Å; C149-F153 WeakPolarHBondContact O-CB 3.38Å; C149-F153 PolarHBondContact O-N 3.42Å |
| 150 | V | 95.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 180 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L58 I62 W138 Y146 V147 Q148 T154 | L58-V150 HydrophobicContact CD1-CG2 3.91Å; I62-V150 HydrophobicContact CD1-CG1 3.76Å; W138-V150 HydrophobicContact CH2-CG2 3.93Å; Y146-V150 VanDerWaalsContact O-CG2 3.26Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 3.04Å; V147-V150 PolarHBondContact O-N 2.94Å; Q148-V150 VanDerWaalsContact C-N 3.34Å; Q148-V150 PolarHBondContact O-N 2.91Å; V150-T154 WeakPolarHBondContact O-CB 3.15Å; V150-T154 PolarHBondContact O-N 3.21Å; V150-T154 PolarHBondContact O-OG1 2.95Å |
| 151 | L | 96.2 | Very high | 93.4 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 176.8 | -71.1 | 174.8 | 0 | 0 | 0 | 111.5 | V147 Q148 T154 G155 | V147-L151 HydrophobicContact CG1-CD1 3.87Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.25Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.32Å; Q148-L151 PolarHBondContact O-N 3.39Å; L151-T154 PolarHBondContact O-N 2.91Å; L151-G155 PolarHBondContact O-N 3.38Å |
| 152 | A | 95.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q148 C149 T154 G155 V156 | Q148-A152 VanDerWaalsContact O-CB 3.28Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.33Å; C149-A152 PolarHBondContact O-N 3.46Å; A152-T154 PolarHBondContact O-N 2.94Å; A152-G155 PolarHBondContact O-N 3.48Å; A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.37Å |
| 153 | F | 96.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.7 | 174.5 | -100.8 | 0 | 0 | 0 | 111.7 | V59 I62 L63 C149 G155 V156 A157 | V59-F153 HydrophobicContact CB-CE1 4.37Å; V59-F153 HydrophobicContact CB-CZ 4.43Å; V59-F153 HydrophobicContact CG1-CE1 4.18Å; V59-F153 HydrophobicContact CG1-CZ 3.8Å; V59-F153 HydrophobicContact CG2-CE1 4.19Å; V59-F153 HydrophobicContact CG2-CZ 4.28Å; I62-F153 HydrophobicContact CB-CE1 4.15Å; I62-F153 HydrophobicContact CD1-CD1 4.09Å; I62-F153 HydrophobicContact CD1-CE1 4.42Å; I62-F153 HydrophobicContact CG2-CD1 4.1Å; I62-F153 HydrophobicContact CG2-CE1 3.86Å; L63-F153 HydrophobicContact CD1-CZ 4.48Å; L63-F153 HydrophobicContact CD2-CE1 4.35Å; L63-F153 HydrophobicContact CD2-CZ 3.83Å; L63-F153 HydrophobicContact CG-CE1 4.4Å; L63-F153 HydrophobicContact CG-CZ 4.06Å; C149-F153 WeakPolarHBondContact O-CB 3.38Å; C149-F153 PolarHBondContact O-N 3.42Å; F153-G155 VanDerWaalsContact C-N 3.35Å; F153-G155 PolarHBondContact O-N 3.16Å; F153-V156 PolarHBondContact O-N 2.88Å; F153-A157 HydrophobicContact CE1-CB 4.47Å; F153-A157 HydrophobicContact CE2-CB 4.47Å; F153-A157 HydrophobicContact CZ-CB 4.31Å; F153-A157 WeakPolarHBondContact O-CB 3.3Å; F153-A157 PolarHBondContact O-N 2.93Å |
| 154 | T | 97.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | I62 V150 L151 A152 G158 | I62-T154 HydrophobicContact CG2-CG2 4.18Å; V150-T154 WeakPolarHBondContact O-CB 3.15Å; V150-T154 PolarHBondContact O-N 3.21Å; V150-T154 PolarHBondContact O-OG1 2.95Å; L151-T154 PolarHBondContact O-N 2.91Å; A152-T154 PolarHBondContact O-N 2.94Å; T154-G158 WeakPolarHBondContact O-CA 3.39Å; T154-G158 PolarHBondContact O-N 3.26Å |
| 155 | G | 97.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L151 A152 F153 G158 Y159 | L151-G155 PolarHBondContact O-N 3.38Å; A152-G155 PolarHBondContact O-N 3.48Å; F153-G155 VanDerWaalsContact C-N 3.35Å; F153-G155 PolarHBondContact O-N 3.16Å; G155-G158 PolarHBondContact O-N 3.4Å; G155-Y159 VanDerWaalsContact O-CB 3.28Å; G155-Y159 WeakPolarHBondContact O-CB 3.49Å; G155-Y159 PolarHBondContact O-N 3.15Å |
| 156 | V | 97.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.3 | -51.1 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A152 F153 G158 Y159 I160 | A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.37Å; F153-V156 PolarHBondContact O-N 2.88Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.28Å; V156-Y159 PolarHBondContact O-N 3.21Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 VanDerWaalsContact O-CG1 3.31Å; V156-I160 WeakPolarHBondContact O-CG1 3.37Å; V156-I160 PolarHBondContact O-N 2.77Å |
| 157 | A | 96.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 68.4 Ų | 68.4 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | L63 L66 F153 T161 | L63-A157 HydrophobicContact CD2-CB 4.4Å; L66-A157 HydrophobicContact CD1-CB 3.6Å; F153-A157 HydrophobicContact CE1-CB 4.47Å; F153-A157 HydrophobicContact CE2-CB 4.47Å; F153-A157 HydrophobicContact CZ-CB 4.31Å; F153-A157 WeakPolarHBondContact O-CB 3.3Å; F153-A157 PolarHBondContact O-N 2.93Å; A157-T161 VanDerWaalsContact O-CB 3.28Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 3.26Å; A157-T161 PolarHBondContact O-OG1 3.34Å |
| 158 | G | 97.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T154 G155 V156 T161 Y162 | T154-G158 WeakPolarHBondContact O-CA 3.39Å; T154-G158 PolarHBondContact O-N 3.26Å; G155-G158 PolarHBondContact O-N 3.4Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.28Å; G158-T161 PolarHBondContact O-N 2.93Å; G158-Y162 WeakPolarHBondContact O-CB 3.47Å; G158-Y162 PolarHBondContact O-N 2.73Å |
| 159 | Y | 97.1 | Very high | 95.9 | Very high | 148 Ų | 148 | 73.6 Ų | 73.6 | 58% | 0.58 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.2 | -47.1 | 175.8 | -179.7 | -106.9 | 0 | 0 | 0 | 112.1 | G155 V156 T161 Y162 L163 | G155-Y159 VanDerWaalsContact O-CB 3.28Å; G155-Y159 WeakPolarHBondContact O-CB 3.49Å; G155-Y159 PolarHBondContact O-N 3.15Å; V156-Y159 PolarHBondContact O-N 3.21Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.23Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y159-L163 HydrophobicContact CD1-CD1 4.11Å; Y159-L163 HydrophobicContact CE1-CD1 3.5Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.32Å; Y159-L163 HydrophobicContact CE2-CG 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 2.98Å |
| 160 | I | 96.8 | Very high | 96 | Very high | 79 Ų | 79 | 75.3 Ų | 75.3 | 41% | 0.405 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.6 | -66.4 | 167.1 | 0 | 0 | 0 | 110.5 | V156 L163 S164 F170 | V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 VanDerWaalsContact O-CG1 3.31Å; V156-I160 WeakPolarHBondContact O-CG1 3.37Å; V156-I160 PolarHBondContact O-N 2.77Å; I160-L163 PolarHBondContact O-N 3.43Å; I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.38Å; I160-S164 PolarHBondContact O-N 2.86Å; I160-S164 PolarHBondContact O-OG 3.37Å; I160-F170 HydrophobicContact CG2-CE2 3.95Å; I160-F170 HydrophobicContact CG2-CZ 3.99Å |
| 161 | T | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.043 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | L66 A157 G158 Y159 L163 S164 I165 F170 L174 | L66-T161 HydrophobicContact CB-CG2 4.28Å; A157-T161 VanDerWaalsContact O-CB 3.28Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 3.26Å; A157-T161 PolarHBondContact O-OG1 3.34Å; G158-T161 PolarHBondContact O-N 2.93Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.23Å; T161-L163 PolarHBondContact O-N 3.42Å; T161-S164 CarbonylContact O-C 3.34Å; T161-S164 PolarHBondContact O-N 3.3Å; T161-I165 WeakPolarHBondContact O-CA 3.19Å; T161-I165 WeakPolarHBondContact O-CB 3.13Å; T161-I165 PolarHBondContact O-N 2.92Å; T161-F170 HydrophobicContact CG2-CE1 4.15Å; T161-L174 HydrophobicContact CG2-CD2 4Å |
| 162 | Y | 95.8 | Very high | 96 | Very high | 174 Ų | 174 | 72.5 Ų | 72.5 | 68% | 0.682 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 178 | 174.8 | -102.7 | 0 | 0 | 0 | 112.1 | G158 Y159 S164 | G158-Y162 WeakPolarHBondContact O-CB 3.47Å; G158-Y162 PolarHBondContact O-N 2.73Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y162-S164 VanDerWaalsContact C-N 3.27Å; Y162-S164 PolarHBondContact O-N 2.86Å |
| 163 | L | 96.6 | Very high | 96 | Very high | 102 Ų | 102 | 73.3 Ų | 73.3 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -28.1 | 177.4 | -67 | -179.3 | 0 | 0 | 0 | 113.4 | Y159 I160 T161 | Y159-L163 HydrophobicContact CD1-CD1 4.11Å; Y159-L163 HydrophobicContact CE1-CD1 3.5Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.32Å; Y159-L163 HydrophobicContact CE2-CG 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 2.98Å; I160-L163 PolarHBondContact O-N 3.43Å; T161-L163 PolarHBondContact O-N 3.42Å |
| 164 | S | 95.5 | Very high | 96 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 10.7 | -171.1 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | I160 T161 Y162 D166 S167 | I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.38Å; I160-S164 PolarHBondContact O-N 2.86Å; I160-S164 PolarHBondContact O-OG 3.37Å; T161-S164 CarbonylContact O-C 3.34Å; T161-S164 PolarHBondContact O-N 3.3Å; Y162-S164 VanDerWaalsContact C-N 3.27Å; Y162-S164 PolarHBondContact O-N 2.86Å; S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.34Å; S164-S167 WeakPolarHBondContact O-CB 3.5Å; S164-S167 PolarHBondContact O-N 2.87Å; S164-S167 VanDerWaalsContact O-N 3.1Å |
| 165 | I | 94.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 68.4 Ų | 68.4 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.9 | -169.5 | -161.1 | 162 | 0 | 0 | 0 | 113.2 | F69 T161 S167 V171 | F69-I165 HydrophobicContact CB-CD1 4.37Å; T161-I165 WeakPolarHBondContact O-CA 3.19Å; T161-I165 WeakPolarHBondContact O-CB 3.13Å; T161-I165 PolarHBondContact O-N 2.92Å; I165-S167 PolarHBondContact O-N 2.89Å; I165-V171 WeakPolarHBondContact O-CG2 3.45Å |
| 166 | D | 94 | Very high | 95.8 | Very high | 155 Ų | 155 | 70.2 Ų | 70.2 | 83% | 0.829 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.1 | 177.7 | -63.8 | -45.1 | 0 | 0 | 0 | 112.5 | S164 T168 | S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.34Å; D166-T168 PolarHBondContact O-N 3.37Å |
| 167 | S | 95.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | trans | -84 | 108.6 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | S164 I165 L169 F170 V171 | S164-S167 WeakPolarHBondContact O-CB 3.5Å; S164-S167 PolarHBondContact O-N 2.87Å; S164-S167 VanDerWaalsContact O-N 3.1Å; I165-S167 PolarHBondContact O-N 2.89Å; S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.09Å; S167-F170 VanDerWaalsContact O-N 3.14Å; S167-V171 PolarHBondContact O-N 3.49Å | ||
| 168 | T | 93.8 | Very high | 95.7 | Very high | 111 Ų | 111 | 69.3 Ų | 69.3 | 68% | 0.681 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58 | -41.1 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | D166 F170 V171 E172 | D166-T168 PolarHBondContact O-N 3.37Å; T168-F170 VanDerWaalsContact C-N 3.3Å; T168-F170 PolarHBondContact O-N 2.88Å; T168-V171 PolarHBondContact O-N 2.85Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 VanDerWaalsContact O-CG 3.22Å; T168-E172 WeakPolarHBondContact O-CG 3.32Å; T168-E172 PolarHBondContact O-N 3.34Å |
| 169 | L | 95.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 68.3 Ų | 68.3 | 69% | 0.686 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.1 | -43.4 | 177.4 | -178.1 | 67.7 | 0 | 0 | 0 | 111.4 | S167 T173 | S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.33Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3.38Å |
| 170 | F | 96.1 | Very high | 95.5 | Very high | 54 Ų | 54 | 63.5 Ų | 63.5 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 178 | 174.6 | -92.8 | 0 | 0 | 0 | 111.1 | I160 T161 S167 T168 E172 T173 L174 | I160-F170 HydrophobicContact CG2-CE2 3.95Å; I160-F170 HydrophobicContact CG2-CZ 3.99Å; T161-F170 HydrophobicContact CG2-CE1 4.15Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.09Å; S167-F170 VanDerWaalsContact O-N 3.14Å; T168-F170 VanDerWaalsContact C-N 3.3Å; T168-F170 PolarHBondContact O-N 2.88Å; F170-E172 PolarHBondContact O-N 2.88Å; F170-T173 PolarHBondContact O-N 3.43Å; F170-L174 HydrophobicContact CE1-CB 4.46Å; F170-L174 HydrophobicContact CE1-CD2 4.09Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 VanDerWaalsContact O-CB 3.31Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 3.35Å |
| 171 | V | 95.5 | Very high | 95.4 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | -178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F67 R71 I165 S167 T168 L174 G175 | F67-V171 HydrophobicContact CD2-CG1 3.82Å; F67-V171 WeakPolarHBondContact CD2-O 3.43Å; F67-V171 HydrophobicContact CE2-CG1 3.85Å; F67-V171 WeakPolarHBondContact CE2-O 3.46Å; R71-V171 HydrophobicContact CB-CG1 4.09Å; I165-V171 WeakPolarHBondContact O-CG2 3.45Å; S167-V171 PolarHBondContact O-N 3.49Å; T168-V171 PolarHBondContact O-N 2.85Å; V171-L174 PolarHBondContact O-N 2.83Å; V171-G175 PolarHBondContact O-N 3.43Å |
| 172 | E | 94.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 179.1 | -63.6 | -69 | 133.3 | 0 | 0 | 111.8 | R71 T168 F170 F176 Q229 | R71-E172 VanDerWaalsContact CD-OE1 3.32Å; R71-E172 WeakPolarHBondContact CD-OE1 3.32Å; R71-E172 IonicContact CZ-OE1 2.9Å; R71-E172 IonicContact NE-OE1 3.35Å; R71-E172 IonicContact NH1-OE1 3.61Å; R71-E172 PolarHBondContact NH1-OE1 3.3Å; R71-E172 IonicContact NH1-OE2 2.77Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 VanDerWaalsContact O-CG 3.22Å; T168-E172 WeakPolarHBondContact O-CG 3.32Å; T168-E172 PolarHBondContact O-N 3.34Å; F170-E172 PolarHBondContact O-N 2.88Å; E172-F176 WeakPolarHBondContact O-CB 3.5Å; E172-F176 PolarHBondContact O-N 3.25Å; E172-Q229 PolarHBondContact O-NE2 2.87Å; E172-Q229 PolarHBondContact OE2-NE2 3.34Å |
| 173 | T | 95.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 175 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L169 F170 G175 F176 L177 | L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.33Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3.38Å; F170-T173 PolarHBondContact O-N 3.43Å; T173-G175 PolarHBondContact O-N 3.38Å; T173-F176 PolarHBondContact O-N 2.97Å; T173-L177 HydrophobicContact CG2-CD1 4.06Å; T173-L177 HydrophobicContact CG2-CG 4.33Å; T173-L177 WeakPolarHBondContact O-CB 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.47Å |
| 174 | L | 96.5 | Very high | 95 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.7 | -178.6 | 72 | 0 | 0 | 0 | 110.9 | L63 L66 F67 T161 F170 V171 L177 A178 | L63-L174 HydrophobicContact CB-CD1 4.46Å; L63-L174 HydrophobicContact CD2-CD1 3.71Å; L66-L174 HydrophobicContact CB-CD2 4Å; F67-L174 HydrophobicContact CB-CD2 4.31Å; F67-L174 HydrophobicContact CB-CG 4.41Å; T161-L174 HydrophobicContact CG2-CD2 4Å; F170-L174 HydrophobicContact CE1-CB 4.46Å; F170-L174 HydrophobicContact CE1-CD2 4.09Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 VanDerWaalsContact O-CB 3.31Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 3.35Å; V171-L174 PolarHBondContact O-N 2.83Å; L174-L177 PolarHBondContact O-N 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 3.26Å |
| 175 | G | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V171 T173 A178 V179 | V171-G175 PolarHBondContact O-N 3.43Å; T173-G175 PolarHBondContact O-N 3.38Å; G175-A178 PolarHBondContact O-N 3.08Å; G175-V179 WeakPolarHBondContact O-CG2 2.9Å; G175-V179 PolarHBondContact O-N 3.49Å; G175-V179 VanDerWaalsContact O-N 3.15Å |
| 176 | F | 95.5 | Very high | 94.5 | Very high | 85 Ų | 85 | 51 Ų | 51 | 37% | 0.373 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 176.9 | -176.1 | -103.8 | 0 | 0 | 0 | 111.8 | E172 T173 A178 V179 L180 Q229 | E172-F176 WeakPolarHBondContact O-CB 3.5Å; E172-F176 PolarHBondContact O-N 3.25Å; T173-F176 PolarHBondContact O-N 2.97Å; F176-A178 VanDerWaalsContact C-N 3.31Å; F176-A178 PolarHBondContact O-N 3.42Å; F176-V179 PolarHBondContact O-N 3.05Å; F176-L180 HydrophobicContact CD1-CD2 4.35Å; F176-L180 HydrophobicContact CE1-CB 4.46Å; F176-L180 HydrophobicContact CE1-CD2 3.7Å; F176-L180 HydrophobicContact CZ-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.45Å; F176-L180 PolarHBondContact O-N 3.33Å; F176-Q229 HydrophobicContact CB-CG 3.91Å; F176-Q229 HydrophobicContact CD2-CB 4.47Å; F176-Q229 HydrophobicContact CD2-CG 4.19Å |
| 177 | L | 96.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.6 | -72.7 | 174 | 0 | 0 | 0 | 112 | T173 L174 T181 | T173-L177 HydrophobicContact CG2-CD1 4.06Å; T173-L177 HydrophobicContact CG2-CG 4.33Å; T173-L177 WeakPolarHBondContact O-CB 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.47Å; L174-L177 PolarHBondContact O-N 3.32Å; L177-T181 VanDerWaalsContact O-CB 3.25Å; L177-T181 WeakPolarHBondContact O-CB 3.31Å; L177-T181 PolarHBondContact O-N 2.7Å; L177-T181 PolarHBondContact O-OG1 2.92Å |
| 178 | A | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A60 L63 R64 L174 G175 F176 E182 | A60-A178 WeakPolarHBondContact CB-O 3.36Å; L63-A178 HydrophobicContact CB-CB 3.62Å; R64-A178 HydrophobicContact CB-CB 4.11Å; L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 3.26Å; G175-A178 PolarHBondContact O-N 3.08Å; F176-A178 VanDerWaalsContact C-N 3.31Å; F176-A178 PolarHBondContact O-N 3.42Å; A178-E182 PolarHBondContact O-N 3.44Å |
| 179 | V | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -79.5 | -32.3 | -177.6 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | G175 F176 E182 A183 F230 C233 | G175-V179 WeakPolarHBondContact O-CG2 2.9Å; G175-V179 PolarHBondContact O-N 3.49Å; G175-V179 VanDerWaalsContact O-N 3.15Å; F176-V179 PolarHBondContact O-N 3.05Å; V179-E182 PolarHBondContact O-N 2.94Å; V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 2.89Å; V179-F230 HydrophobicContact CG1-CD1 4.22Å; V179-F230 HydrophobicContact CG2-CD1 3.8Å; V179-F230 HydrophobicContact CG2-CE1 3.68Å; V179-F230 HydrophobicContact CG2-CG 4.35Å; V179-F230 HydrophobicContact CG2-CZ 4.16Å; V179-C233 HydrophobicContact CB-CB 4.01Å; V179-C233 HydrophobicContact CG1-CB 3.44Å; V179-C233 VanDerWaalsContact CG1-CB 3.44Å |
| 180 | L | 96 | Very high | 93.6 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 173.7 | -178.9 | 65.9 | 0 | 0 | 0 | 111.5 | F176 E182 A183 M184 L236 | F176-L180 HydrophobicContact CD1-CD2 4.35Å; F176-L180 HydrophobicContact CE1-CB 4.46Å; F176-L180 HydrophobicContact CE1-CD2 3.7Å; F176-L180 HydrophobicContact CZ-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.45Å; F176-L180 PolarHBondContact O-N 3.33Å; L180-E182 PolarHBondContact O-N 3.48Å; L180-A183 PolarHBondContact O-N 3.18Å; L180-M184 HydrophobicContact CD1-CG 4.21Å; L180-M184 HydrophobicContact CD1-SD 4.45Å; L180-M184 HydrophobicContact CG-CG 4.31Å; L180-M184 VanDerWaalsContact O-CG 3.26Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.24Å; L180-L236 HydrophobicContact CD1-CD2 4.09Å |
| 181 | T | 95.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 24% | 0.239 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | V56 V59 A60 L177 | V56-T181 HydrophobicContact CG1-CG2 3.67Å; V56-T181 WeakPolarHBondContact CG1-O 3.33Å; V59-T181 HydrophobicContact CG1-CG2 4.5Å; A60-T181 HydrophobicContact CB-CG2 3.98Å; L177-T181 VanDerWaalsContact O-CB 3.25Å; L177-T181 WeakPolarHBondContact O-CB 3.31Å; L177-T181 PolarHBondContact O-N 2.7Å; L177-T181 PolarHBondContact O-OG1 2.92Å |
| 182 | E | 93.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 171.6 | -173.6 | 177.9 | -131.5 | 0 | 0 | 111.6 | L57 A60 R64 A178 V179 L180 M184 L185 K217 | L57-E182 HydrophobicContact CD2-CG 4.48Å; A60-E182 HydrophobicContact CB-CB 4.09Å; R64-E182 IonicContact CZ-OE1 2.74Å; R64-E182 IonicContact CZ-OE2 3.9Å; R64-E182 IonicContact NH1-OE1 3.43Å; R64-E182 PolarHBondContact NH1-OE1 3.37Å; R64-E182 IonicContact NH1-OE2 3.53Å; R64-E182 IonicContact NH2-OE1 3.69Å; R64-E182 PolarHBondContact NH2-OE1 3.14Å; R64-E182 IonicContact NH2-OE2 3.73Å; R64-E182 PolarHBondContact NH2-OE2 3.33Å; A178-E182 PolarHBondContact O-N 3.44Å; V179-E182 PolarHBondContact O-N 2.94Å; L180-E182 PolarHBondContact O-N 3.48Å; E182-M184 PolarHBondContact O-N 3.35Å; E182-L185 HydrophobicContact CG-CD1 4.28Å; E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 WeakPolarHBondContact O-CD1 3.47Å; E182-L185 VanDerWaalsContact O-CG 3.25Å; E182-L185 WeakPolarHBondContact O-CG 3.43Å; E182-L185 PolarHBondContact O-N 2.94Å; E182-K217 IonicContact OE1-NZ 2.74Å; E182-K217 PolarHBondContact OE1-NZ 2.97Å; E182-K217 IonicContact OE2-NZ 3.35Å; E182-K217 PolarHBondContact OE2-NZ 2.97Å |
| 183 | A | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -28.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V179 L180 L185 C233 L236 Q237 | V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 2.89Å; L180-A183 PolarHBondContact O-N 3.18Å; A183-L185 PolarHBondContact O-N 3.31Å; A183-C233 HydrophobicContact CB-CB 4.08Å; A183-L236 HydrophobicContact CB-CD2 4.27Å; A183-Q237 VanDerWaalsContact CA-CG 3.45Å; A183-Q237 HydrophobicContact CB-CG 3.61Å |
| 184 | M | 92.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -77.4 | -3.9 | -179.6 | -67.5 | -62.4 | -68.7 | 0 | 0 | 114 | L180 E182 G186 V187 P188 | L180-M184 HydrophobicContact CD1-CG 4.21Å; L180-M184 HydrophobicContact CD1-SD 4.45Å; L180-M184 HydrophobicContact CG-CG 4.31Å; L180-M184 VanDerWaalsContact O-CG 3.26Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.24Å; E182-M184 PolarHBondContact O-N 3.35Å; M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.94Å; M184-V187 HydrophobicContact CE-CB 4.02Å; M184-V187 HydrophobicContact CE-CG1 4Å; M184-V187 HydrophobicContact CE-CG2 3.82Å; M184-V187 PolarHBondContact O-N 3.21Å; M184-V187 VanDerWaalsContact O-N 3.14Å; M184-V187 HydrophobicContact SD-CG2 3.82Å; M184-P188 WeakPolarHBondContact O-CD 3.42Å |
| 185 | L | 90.1 | Very high | 92 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -58.7 | -35.6 | -178.2 | -76.2 | 169 | 0 | 0 | 0 | 114 | V53 V56 L57 E182 A183 | V53-L185 HydrophobicContact CG1-CD2 4.38Å; V56-L185 HydrophobicContact CB-CD2 3.84Å; V56-L185 HydrophobicContact CG1-CD2 3.47Å; V56-L185 VanDerWaalsContact CG1-CD2 3.47Å; V56-L185 HydrophobicContact CG1-CG 4.05Å; L57-L185 HydrophobicContact CD1-CD1 4.23Å; L57-L185 HydrophobicContact CD2-CD1 3.4Å; L57-L185 VanDerWaalsContact CD2-CD1 3.4Å; L57-L185 HydrophobicContact CG-CD1 3.7Å; L57-L185 HydrophobicContact CG-CD2 4.35Å; E182-L185 HydrophobicContact CG-CD1 4.28Å; E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 WeakPolarHBondContact O-CD1 3.47Å; E182-L185 VanDerWaalsContact O-CG 3.25Å; E182-L185 WeakPolarHBondContact O-CG 3.43Å; E182-L185 PolarHBondContact O-N 2.94Å; A183-L185 PolarHBondContact O-N 3.31Å |
| 186 | G | 88.3 | Confident | 91.6 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -78.4 | -20.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M184 Q189 L190 I244 | M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.94Å; G186-Q189 PolarHBondContact O-N 3.19Å; G186-Q189 VanDerWaalsContact O-N 3.15Å; G186-L190 PolarHBondContact O-N 3.42Å; G186-I244 WeakPolarHBondContact O-CD1 3.35Å |
| 187 | V | 91.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.255 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | -171.4 | 177.2 | 0 | 0 | 0 | 0 | 113.4 | M184 Q189 L190 Y191 V240 | M184-V187 HydrophobicContact CE-CB 4.02Å; M184-V187 HydrophobicContact CE-CG1 4Å; M184-V187 HydrophobicContact CE-CG2 3.82Å; M184-V187 PolarHBondContact O-N 3.21Å; M184-V187 VanDerWaalsContact O-N 3.14Å; M184-V187 HydrophobicContact SD-CG2 3.82Å; V187-Q189 PolarHBondContact O-N 3.34Å; V187-L190 WeakPolarHBondContact O-CB 3.45Å; V187-L190 PolarHBondContact O-N 3.26Å; V187-Y191 WeakPolarHBondContact O-CB 3.36Å; V187-Y191 PolarHBondContact O-N 2.86Å; V187-V240 HydrophobicContact CG2-CG1 4.25Å; V187-V240 HydrophobicContact CG2-CG2 4Å |
| 188 | P | 89.3 | Confident | 90.4 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.8 | -37.1 | 174.6 | -26.9 | 35.2 | 0 | 0 | 0 | 113.1 | M184 Y191 R192 | M184-P188 WeakPolarHBondContact O-CD 3.42Å; P188-Y191 PolarHBondContact O-N 3.36Å; P188-R192 WeakPolarHBondContact O-CB 3.43Å; P188-R192 PolarHBondContact O-N 3.41Å |
| 189 | Q | 88.4 | Confident | 89.7 | Confident | 38 Ų | 38 | 60 Ų | 60 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70 | -42.8 | 177.5 | -175.3 | 59.6 | 24.8 | 0 | 0 | 111 | G186 V187 Y191 R192 N193 M202 I244 | G186-Q189 PolarHBondContact O-N 3.19Å; G186-Q189 VanDerWaalsContact O-N 3.15Å; V187-Q189 PolarHBondContact O-N 3.34Å; Q189-Y191 VanDerWaalsContact C-N 3.32Å; Q189-Y191 PolarHBondContact O-N 3.46Å; Q189-R192 PolarHBondContact O-N 3.01Å; Q189-N193 PolarHBondContact NE2-OD1 3.32Å; Q189-N193 WeakPolarHBondContact O-CB 3.43Å; Q189-N193 VanDerWaalsContact O-CG 3.22Å; Q189-N193 PolarHBondContact O-N 2.9Å; Q189-N193 PolarHBondContact O-OD1 2.82Å; Q189-M202 HydrophobicContact CG-SD 3.84Å; Q189-M202 PolarHBondContact NE2-SD 2.83Å; Q189-I244 HydrophobicContact CB-CD1 4.33Å; Q189-I244 HydrophobicContact CG-CD1 4.45Å |
| 190 | L | 90.9 | Very high | 88.7 | Confident | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 173.1 | -178.1 | 71.3 | 0 | 0 | 0 | 112 | G186 V187 H194 A243 I244 Q247 | G186-L190 PolarHBondContact O-N 3.42Å; V187-L190 WeakPolarHBondContact O-CB 3.45Å; V187-L190 PolarHBondContact O-N 3.26Å; L190-H194 WeakPolarHBondContact O-CB 3.16Å; L190-H194 PolarHBondContact O-N 3.14Å; L190-H194 VanDerWaalsContact O-N 3.08Å; L190-A243 HydrophobicContact CD1-CB 3.62Å; L190-A243 HydrophobicContact CD2-CB 4.33Å; L190-I244 HydrophobicContact CB-CD1 4.39Å; L190-I244 HydrophobicContact CB-CG1 3.88Å; L190-I244 HydrophobicContact CD1-CG1 3.89Å; L190-Q247 HydrophobicContact CD1-CG 4.43Å; L190-Q247 PolarHBondContact O-NE2 2.95Å; L190-Q247 PolarHBondContact O-OE1 2.96Å |
| 191 | Y | 90.6 | Very high | 87.4 | Confident | 150 Ų | 150 | 69.5 Ų | 69.5 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -44.7 | 177.8 | 177.5 | -99.7 | 0 | 0 | 0 | 111.9 | V187 P188 Q189 H194 R195 | V187-Y191 WeakPolarHBondContact O-CB 3.36Å; V187-Y191 PolarHBondContact O-N 2.86Å; P188-Y191 PolarHBondContact O-N 3.36Å; Q189-Y191 VanDerWaalsContact C-N 3.32Å; Q189-Y191 PolarHBondContact O-N 3.46Å; Y191-H194 PolarHBondContact O-N 2.97Å; Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.28Å |
| 192 | R | 87.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 69 Ų | 69 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.5 | -169.1 | 171.9 | 69.6 | 110.5 | -3.6 | 111.3 | P188 Q189 H194 R195 H196 | P188-R192 WeakPolarHBondContact O-CB 3.43Å; P188-R192 PolarHBondContact O-N 3.41Å; Q189-R192 PolarHBondContact O-N 3.01Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 2.83Å; R192-R195 PolarHBondContact O-N 2.96Å; R192-H196 WeakPolarHBondContact O-CB 3.45Å; R192-H196 PolarHBondContact O-CD2 2.96Å; R192-H196 VanDerWaalsContact O-CD2 3.24Å; R192-H196 PolarHBondContact O-N 2.99Å |
| 193 | N | 89.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 174.9 | -72.7 | -3.4 | 0 | 0 | 0 | 111.4 | Q189 Q197 M202 Q247 F251 | Q189-N193 PolarHBondContact NE2-OD1 3.32Å; Q189-N193 WeakPolarHBondContact O-CB 3.43Å; Q189-N193 VanDerWaalsContact O-CG 3.22Å; Q189-N193 PolarHBondContact O-N 2.9Å; Q189-N193 PolarHBondContact O-OD1 2.82Å; N193-Q197 WeakPolarHBondContact O-CA 3.17Å; N193-Q197 PolarHBondContact O-N 2.89Å; N193-M202 PolarHBondContact ND2-SD 3.47Å; N193-Q247 PolarHBondContact ND2-OE1 3Å; N193-F251 HydrophobicContact CB-CE2 4.41Å; N193-F251 WeakPolarHBondContact O-CE2 3.48Å |
| 194 | H | 88.5 | Confident | 85.6 | Confident | 116 Ų | 116 | 75.6 Ų | 75.6 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.8 | -175.4 | -96.8 | 0 | 0 | 0 | 112.5 | L190 Y191 R192 Q197 | L190-H194 WeakPolarHBondContact O-CB 3.16Å; L190-H194 PolarHBondContact O-N 3.14Å; L190-H194 VanDerWaalsContact O-N 3.08Å; Y191-H194 PolarHBondContact O-N 2.97Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 2.83Å; H194-Q197 PolarHBondContact O-NE2 3.45Å |
| 195 | R | 89.3 | Confident | 85.1 | Confident | 172 Ų | 172 | 79.9 Ų | 79.9 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.7 | -44.8 | -179.3 | -171.4 | -164.3 | -177.2 | -166.5 | 4.8 | 112 | Y191 R192 | Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.28Å; R192-R195 PolarHBondContact O-N 2.96Å |
| 196 | H | 85.7 | Confident | 84.7 | Confident | 110 Ų | 110 | 80 Ų | 80 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -86.8 | -8.5 | -175.5 | -69.4 | -79 | 0 | 0 | 0 | 113.2 | R192 S198 | R192-H196 WeakPolarHBondContact O-CB 3.45Å; R192-H196 PolarHBondContact O-CD2 2.96Å; R192-H196 VanDerWaalsContact O-CD2 3.24Å; R192-H196 PolarHBondContact O-N 2.99Å; H196-S198 PolarHBondContact O-N 2.88Å |
| 197 | Q | 85.5 | Confident | 84.6 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 31.4 | -176.9 | -62.6 | -73.1 | -58.8 | 0 | 0 | 112.4 | N193 H194 F251 | N193-Q197 WeakPolarHBondContact O-CA 3.17Å; N193-Q197 PolarHBondContact O-N 2.89Å; H194-Q197 PolarHBondContact O-NE2 3.45Å; Q197-F251 HydrophobicContact CB-CE1 4.47Å; Q197-F251 HydrophobicContact CB-CZ 4.43Å |
| 198 | S | 81.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 82.2 Ų | 82.2 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | trans | -149.8 | 143.3 | -176.1 | 176.6 | 0 | 0 | 0 | 0 | 109 | H196 E200 | H196-S198 PolarHBondContact O-N 2.88Å; S198-E200 VanDerWaalsContact OG-CB 3.29Å; S198-E200 WeakPolarHBondContact OG-CB 3.19Å; S198-E200 PolarHBondContact OG-N 2.95Å; S198-E200 VanDerWaalsContact OG-N 3.11Å | ||
| 199 | T | 81.8 | Confident | 84.3 | Confident | 28 Ų | 28 | 83 Ų | 83 | 17% | 0.172 | 41% | 0.41 | C | S | . | . | trans | -103.9 | 20.6 | 170.9 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | G201 M202 A248 F251 | T199-G201 PolarHBondContact O-N 3.24Å; T199-M202 HydrophobicContact CG2-CE 3.91Å; T199-M202 WeakPolarHBondContact O-CB 3.32Å; T199-M202 PolarHBondContact O-N 3.41Å; T199-M202 VanDerWaalsContact O-N 3.1Å; T199-A248 HydrophobicContact CG2-CB 3.94Å; T199-F251 HydrophobicContact CG2-CD2 3.85Å; T199-F251 HydrophobicContact CG2-CE2 4.49Å | ||
| 200 | E | 74 | Confident | 84.3 | Confident | 167 Ų | 167 | 84.6 Ų | 84.6 | 78% | 0.78 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 130.6 | 178.3 | -165.9 | 173.5 | -175.9 | 0 | 0 | 111 | S198 | S198-E200 VanDerWaalsContact OG-CB 3.29Å; S198-E200 WeakPolarHBondContact OG-CB 3.19Å; S198-E200 PolarHBondContact OG-N 2.95Å; S198-E200 VanDerWaalsContact OG-N 3.11Å |
| 201 | G | 68.9 | Low | 84.3 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 81% | 0.814 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T199 | T199-G201 PolarHBondContact O-N 3.24Š|
| 202 | M | 80.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 80.2 Ų | 80.2 | 14% | 0.138 | 41% | 0.409 | C | S | . | . | trans | -98.2 | 127.5 | 173.3 | -169.5 | -180 | 77.4 | 0 | 0 | 111.6 | Q189 N193 T199 I204 V207 I244 A248 | Q189-M202 HydrophobicContact CG-SD 3.84Å; Q189-M202 PolarHBondContact NE2-SD 2.83Å; N193-M202 PolarHBondContact ND2-SD 3.47Å; T199-M202 HydrophobicContact CG2-CE 3.91Å; T199-M202 WeakPolarHBondContact O-CB 3.32Å; T199-M202 PolarHBondContact O-N 3.41Å; T199-M202 VanDerWaalsContact O-N 3.1Å; M202-I204 PolarHBondContact O-N 3.33Å; M202-V207 HydrophobicContact CE-CG2 4.15Å; M202-V207 HydrophobicContact CG-CG2 4.06Å; M202-V207 HydrophobicContact SD-CG2 3.94Å; M202-I244 HydrophobicContact CE-CG2 3.66Å; M202-I244 HydrophobicContact SD-CG2 3.47Å; M202-I244 WeakPolarHBondContact SD-CG2 3.4Å; M202-A248 HydrophobicContact CE-CB 3.89Å | ||
| 203 | S | 80.5 | Confident | 84.5 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | trans | -81.6 | 104.3 | 174.4 | 179 | 0 | 0 | 0 | 0 | 111.1 | K205 M206 V207 | S203-K205 PolarHBondContact O-N 2.93Å; S203-M206 WeakPolarHBondContact O-CB 3.4Å; S203-M206 PolarHBondContact O-N 3.42Å; S203-M206 PolarHBondContact OG-N 3.31Å; S203-V207 PolarHBondContact O-N 3.02Å | ||
| 204 | I | 83.8 | Confident | 84.6 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.1 | -37 | 178.1 | -60.5 | 175 | 0 | 0 | 0 | 111.5 | M202 M206 V207 L208 L245 A248 | M202-I204 PolarHBondContact O-N 3.33Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 2.95Å; I204-V207 PolarHBondContact O-N 3.31Å; I204-L208 HydrophobicContact CG2-CD1 4.28Å; I204-L208 WeakPolarHBondContact O-CG 3.08Å; I204-L208 PolarHBondContact O-N 2.98Å; I204-L245 HydrophobicContact CG2-CD2 4.31Å; I204-A248 HydrophobicContact CD1-CB 4.44Å; I204-A248 HydrophobicContact CG1-CB 4.46Å |
| 205 | K | 82.3 | Confident | 84.8 | Confident | 176 Ų | 176 | 74.4 Ų | 74.4 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.2 | -36.9 | 177 | -66.1 | -179.9 | -177.4 | 175.8 | 0 | 112.3 | S203 M209 | S203-K205 PolarHBondContact O-N 2.93Å; K205-M209 PolarHBondContact O-N 3.27Å |
| 206 | M | 81.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.6 | -172.9 | -175.1 | -159.5 | 0 | 0 | 110.9 | P32 S203 I204 L208 M209 W210 | P32-M206 HydrophobicContact CB-CE 4.33Å; S203-M206 WeakPolarHBondContact O-CB 3.4Å; S203-M206 PolarHBondContact O-N 3.42Å; S203-M206 PolarHBondContact OG-N 3.31Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 2.95Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 3.36Å; M206-M209 WeakPolarHBondContact O-CB 3.49Å; M206-M209 PolarHBondContact O-N 2.95Å; M206-M209 VanDerWaalsContact O-N 3.12Å; M206-W210 HydrophobicContact CE-CH2 4.15Å; M206-W210 HydrophobicContact CE-CZ2 3.24Å; M206-W210 HydrophobicContact CG-CD2 4.32Å; M206-W210 HydrophobicContact CG-CH2 4.45Å; M206-W210 HydrophobicContact CG-CZ2 3.86Å; M206-W210 PolarHBondContact O-N 3.49Å; M206-W210 HydrophobicContact SD-CH2 3.95Å; M206-W210 HydrophobicContact SD-CZ2 3.54Å; M206-W210 VanDerWaalsContact SD-CZ2 3.54Å |
| 207 | V | 86.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | M202 S203 I204 M209 W210 T211 I244 L245 | M202-V207 HydrophobicContact CE-CG2 4.15Å; M202-V207 HydrophobicContact CG-CG2 4.06Å; M202-V207 HydrophobicContact SD-CG2 3.94Å; S203-V207 PolarHBondContact O-N 3.02Å; I204-V207 PolarHBondContact O-N 3.31Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.36Å; V207-W210 HydrophobicContact CG2-CE3 4.39Å; V207-W210 HydrophobicContact CG2-CZ3 4.46Å; V207-W210 WeakPolarHBondContact O-CB 3.28Å; V207-W210 PolarHBondContact O-N 2.82Å; V207-W210 VanDerWaalsContact O-N 3.14Å; V207-T211 PolarHBondContact O-N 3.24Å; V207-T211 PolarHBondContact O-OG1 3.02Å; V207-I244 HydrophobicContact CG1-CB 4.3Å; V207-I244 HydrophobicContact CG1-CG2 3.86Å; V207-I244 HydrophobicContact CG2-CG2 4.14Å; V207-L245 HydrophobicContact CB-CD2 4.02Å; V207-L245 HydrophobicContact CG1-CD2 3.68Å; V207-L245 HydrophobicContact CG1-CG 3.75Å |
| 208 | L | 88.2 | Confident | 85.5 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 174.9 | -73.8 | 170 | 0 | 0 | 0 | 112.9 | I204 M206 T211 S212 L245 | I204-L208 HydrophobicContact CG2-CD1 4.28Å; I204-L208 WeakPolarHBondContact O-CG 3.08Å; I204-L208 PolarHBondContact O-N 2.98Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 3.36Å; L208-T211 PolarHBondContact O-N 3.43Å; L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 2.91Å; L208-L245 HydrophobicContact CD2-CD1 3.79Å; L208-L245 HydrophobicContact CD2-CD2 3.95Å; L208-L245 HydrophobicContact CG-CD2 4.06Å |
| 209 | M | 85.9 | Confident | 86 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176 | -174.3 | 177.5 | -119.7 | 0 | 0 | 111.7 | V31 P32 K205 M206 V207 G213 | V31-M209 HydrophobicContact CG1-CE 3.8Å; V31-M209 HydrophobicContact CG1-SD 4.19Å; P32-M209 HydrophobicContact CG-SD 4.38Å; K205-M209 PolarHBondContact O-N 3.27Å; M206-M209 WeakPolarHBondContact O-CB 3.49Å; M206-M209 PolarHBondContact O-N 2.95Å; M206-M209 VanDerWaalsContact O-N 3.12Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.36Å; M209-G213 PolarHBondContact O-N 2.94Å |
| 210 | W | 88.4 | Confident | 86.4 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 172.2 | -64.5 | -19.9 | 0 | 0 | 0 | 111.3 | M206 V207 S212 G213 D214 D241 | M206-W210 HydrophobicContact CE-CH2 4.15Å; M206-W210 HydrophobicContact CE-CZ2 3.24Å; M206-W210 HydrophobicContact CG-CD2 4.32Å; M206-W210 HydrophobicContact CG-CH2 4.45Å; M206-W210 HydrophobicContact CG-CZ2 3.86Å; M206-W210 PolarHBondContact O-N 3.49Å; M206-W210 HydrophobicContact SD-CH2 3.95Å; M206-W210 HydrophobicContact SD-CZ2 3.54Å; M206-W210 VanDerWaalsContact SD-CZ2 3.54Å; V207-W210 HydrophobicContact CG2-CE3 4.39Å; V207-W210 HydrophobicContact CG2-CZ3 4.46Å; V207-W210 WeakPolarHBondContact O-CB 3.28Å; V207-W210 PolarHBondContact O-N 2.82Å; V207-W210 VanDerWaalsContact O-N 3.14Å; W210-S212 VanDerWaalsContact C-N 3.3Å; W210-S212 PolarHBondContact O-N 3.16Å; W210-G213 WeakPolarHBondContact O-CA 3.42Å; W210-G213 PolarHBondContact O-N 3.26Å; W210-D214 PolarHBondContact O-N 2.96Å; W210-D241 WeakPolarHBondContact CB-OD2 3.47Å |
| 211 | T | 90.9 | Very high | 87.2 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | -179.3 | -47 | 0 | 0 | 0 | 0 | 111.5 | V207 L208 A215 D241 L242 L245 | V207-T211 PolarHBondContact O-N 3.24Å; V207-T211 PolarHBondContact O-OG1 3.02Å; L208-T211 PolarHBondContact O-N 3.43Å; T211-A215 WeakPolarHBondContact O-CB 3.37Å; T211-A215 PolarHBondContact O-N 3.33Å; T211-D241 WeakPolarHBondContact CA-OD2 3.43Å; T211-D241 HydrophobicContact CG2-CB 4.17Å; T211-D241 PolarHBondContact N-OD2 2.84Å; T211-D241 WeakPolarHBondContact OG1-CB 3.5Å; T211-D241 PolarHBondContact OG1-OD2 3.08Å; T211-L242 HydrophobicContact CG2-CD2 4.08Å; T211-L242 HydrophobicContact CG2-CG 4.44Å; T211-L245 HydrophobicContact CG2-CD1 4.35Å; T211-L245 WeakPolarHBondContact OG1-CD1 3.45Å |
| 212 | S | 90.9 | Very high | 88.1 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 57% | 0.573 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | L208 W210 F216 | L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 2.91Å; W210-S212 VanDerWaalsContact C-N 3.3Å; W210-S212 PolarHBondContact O-N 3.16Å; S212-F216 WeakPolarHBondContact O-CB 3.32Å; S212-F216 PolarHBondContact O-N 3.22Å |
| 213 | G | 90 | Very high | 88.5 | Confident | 34 Ų | 34 | 62 Ų | 62 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M209 W210 F216 K217 | M209-G213 PolarHBondContact O-N 2.94Å; W210-G213 WeakPolarHBondContact O-CA 3.42Å; W210-G213 PolarHBondContact O-N 3.26Å; G213-F216 PolarHBondContact O-N 2.7Å; G213-K217 VanDerWaalsContact O-CB 3.25Å; G213-K217 WeakPolarHBondContact O-CB 3.34Å; G213-K217 PolarHBondContact O-N 3.05Å |
| 214 | D | 92.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.5 | -35 | -179.3 | -73.7 | -17.7 | 0 | 0 | 0 | 111.9 | W210 K217 T218 Q237 V238 | W210-D214 PolarHBondContact O-N 2.96Å; D214-K217 PolarHBondContact O-N 3.07Å; D214-T218 VanDerWaalsContact O-CB 3.27Å; D214-T218 WeakPolarHBondContact O-CB 3.09Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; D214-Q237 HydrophobicContact CB-CB 4.16Å; D214-V238 HydrophobicContact CB-CG2 4.02Å |
| 215 | A | 93.1 | Very high | 88.6 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T211 T218 A219 V238 | T211-A215 WeakPolarHBondContact O-CB 3.37Å; T211-A215 PolarHBondContact O-N 3.33Å; A215-T218 PolarHBondContact O-N 3.27Å; A215-A219 WeakPolarHBondContact O-CB 3.19Å; A215-A219 PolarHBondContact O-N 3.11Å; A215-V238 HydrophobicContact CB-CG2 4.3Å |
| 216 | F | 92.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.9 | 174.2 | -97.9 | 0 | 0 | 0 | 111.7 | A21 A24 M25 S212 G213 T218 A219 Y220 | A21-F216 HydrophobicContact CB-CZ 3.96Å; A24-F216 HydrophobicContact CB-CE1 3.74Å; A24-F216 HydrophobicContact CB-CZ 3.96Å; M25-F216 HydrophobicContact CG-CE1 3.99Å; M25-F216 HydrophobicContact SD-CD1 4.34Å; M25-F216 HydrophobicContact SD-CE1 4.07Å; S212-F216 WeakPolarHBondContact O-CB 3.32Å; S212-F216 PolarHBondContact O-N 3.22Å; G213-F216 PolarHBondContact O-N 2.7Å; F216-T218 PolarHBondContact O-N 3.35Å; F216-A219 PolarHBondContact O-N 2.96Å; F216-Y220 WeakPolarHBondContact O-CB 3.35Å; F216-Y220 PolarHBondContact O-N 3.24Å |
| 217 | K | 90.9 | Very high | 89 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.9 | -177.3 | -177.5 | 176.7 | -165.5 | 0 | 111.7 | M25 E182 G213 D214 Y220 F221 | M25-K217 HydrophobicContact CE-CG 3.93Å; M25-K217 HydrophobicContact SD-CB 4.13Å; M25-K217 HydrophobicContact SD-CG 4.04Å; E182-K217 IonicContact OE1-NZ 2.74Å; E182-K217 PolarHBondContact OE1-NZ 2.97Å; E182-K217 IonicContact OE2-NZ 3.35Å; E182-K217 PolarHBondContact OE2-NZ 2.97Å; G213-K217 VanDerWaalsContact O-CB 3.25Å; G213-K217 WeakPolarHBondContact O-CB 3.34Å; G213-K217 PolarHBondContact O-N 3.05Å; D214-K217 PolarHBondContact O-N 3.07Å; K217-Y220 WeakPolarHBondContact O-CB 3.43Å; K217-Y220 PolarHBondContact O-N 2.96Å; K217-F221 HydrophobicContact CD-CE2 4.04Å; K217-F221 HydrophobicContact CD-CZ 3.95Å; K217-F221 HydrophobicContact CG-CD2 4.27Å; K217-F221 HydrophobicContact CG-CE1 4.08Å; K217-F221 HydrophobicContact CG-CE2 3.5Å; K217-F221 HydrophobicContact CG-CZ 3.39Å; K217-F221 WeakPolarHBondContact O-CD2 3.28Å; K217-F221 WeakPolarHBondContact O-CG 3.28Å; K217-F221 PolarHBondContact O-N 3.39Å |
| 218 | T | 92.1 | Very high | 89.1 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | D214 A215 F216 Y220 F221 L222 G234 | D214-T218 VanDerWaalsContact O-CB 3.27Å; D214-T218 WeakPolarHBondContact O-CB 3.09Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; A215-T218 PolarHBondContact O-N 3.27Å; F216-T218 PolarHBondContact O-N 3.35Å; T218-Y220 VanDerWaalsContact C-N 3.32Å; T218-Y220 PolarHBondContact O-N 3.33Å; T218-F221 PolarHBondContact O-N 3.12Å; T218-L222 HydrophobicContact CG2-CD1 4.37Å; T218-L222 WeakPolarHBondContact O-CG 3.47Å; T218-L222 PolarHBondContact O-N 3.01Å; T218-L222 VanDerWaalsContact O-N 3.07Å; T218-G234 VanDerWaalsContact OG1-CA 3.31Å; T218-G234 WeakPolarHBondContact OG1-CA 3.41Å; T218-G234 PolarHBondContact OG1-O 3.41Å; T218-G234 VanDerWaalsContact OG1-O 3.13Å |
| 219 | A | 92 | Very high | 89.2 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A215 F216 F221 L222 L223 | A215-A219 WeakPolarHBondContact O-CB 3.19Å; A215-A219 PolarHBondContact O-N 3.11Å; F216-A219 PolarHBondContact O-N 2.96Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 3.45Å; A219-L222 PolarHBondContact O-N 3.48Å; A219-L223 WeakPolarHBondContact O-CB 3.34Å; A219-L223 VanDerWaalsContact O-CG 3.28Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 3.1Å |
| 220 | Y | 89.9 | Confident | 89.4 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 175.3 | -171.8 | -88.9 | 0 | 0 | 0 | 111.8 | A21 M25 E74 L77 F216 K217 T218 L222 L223 K224 | A21-Y220 HydrophobicContact CB-CD2 4.35Å; A21-Y220 HydrophobicContact CB-CE2 4.15Å; M25-Y220 HydrophobicContact CE-CD1 3.73Å; M25-Y220 HydrophobicContact CE-CE1 4.18Å; M25-Y220 HydrophobicContact CE-CG 4.25Å; M25-Y220 HydrophobicContact CG-CD1 3.94Å; M25-Y220 HydrophobicContact CG-CD2 3.84Å; M25-Y220 HydrophobicContact CG-CE1 4.07Å; M25-Y220 HydrophobicContact CG-CE2 3.99Å; M25-Y220 HydrophobicContact CG-CG 3.81Å; M25-Y220 HydrophobicContact SD-CD1 3.98Å; M25-Y220 HydrophobicContact SD-CD2 4.44Å; M25-Y220 HydrophobicContact SD-CG 3.87Å; E74-Y220 WeakPolarHBondContact OE2-CE1 3.37Å; E74-Y220 PolarHBondContact OE2-OH 3.36Å; E74-Y220 VanDerWaalsContact OE2-OH 3.1Å; L77-Y220 HydrophobicContact CD1-CE1 4.01Å; F216-Y220 WeakPolarHBondContact O-CB 3.35Å; F216-Y220 PolarHBondContact O-N 3.24Å; K217-Y220 WeakPolarHBondContact O-CB 3.43Å; K217-Y220 PolarHBondContact O-N 2.96Å; T218-Y220 VanDerWaalsContact C-N 3.32Å; T218-Y220 PolarHBondContact O-N 3.33Å; Y220-L222 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.21Å; Y220-K224 HydrophobicContact CD1-CG 4.16Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 HydrophobicContact CE2-CG 4.34Å; Y220-K224 WeakPolarHBondContact O-CB 3.35Å; Y220-K224 WeakPolarHBondContact O-CG 3.3Å; Y220-K224 PolarHBondContact O-N 2.99Å |
| 221 | F | 90.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178 | -62.2 | -26.1 | 0 | 0 | 0 | 113.5 | M25 L77 K217 T218 A219 G225 A226 F230 | M25-F221 HydrophobicContact CE-CD1 4.33Å; M25-F221 HydrophobicContact CE-CE1 3.52Å; M25-F221 HydrophobicContact CE-CZ 4.08Å; L77-F221 HydrophobicContact CD1-CE1 4.19Å; L77-F221 HydrophobicContact CD2-CD1 4.32Å; L77-F221 HydrophobicContact CD2-CE1 3.57Å; L77-F221 HydrophobicContact CD2-CZ 4.24Å; L77-F221 HydrophobicContact CG-CE1 3.95Å; K217-F221 HydrophobicContact CD-CE2 4.04Å; K217-F221 HydrophobicContact CD-CZ 3.95Å; K217-F221 HydrophobicContact CG-CD2 4.27Å; K217-F221 HydrophobicContact CG-CE1 4.08Å; K217-F221 HydrophobicContact CG-CE2 3.5Å; K217-F221 HydrophobicContact CG-CZ 3.39Å; K217-F221 WeakPolarHBondContact O-CD2 3.28Å; K217-F221 WeakPolarHBondContact O-CG 3.28Å; K217-F221 PolarHBondContact O-N 3.39Å; T218-F221 PolarHBondContact O-N 3.12Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 3.45Å; F221-G225 PolarHBondContact O-N 3.37Å; F221-G225 VanDerWaalsContact O-N 3.17Å; F221-A226 HydrophobicContact CB-CB 3.97Å; F221-A226 HydrophobicContact CD1-CB 4.12Å; F221-A226 HydrophobicContact CG-CB 4.31Å; F221-A226 PolarHBondContact O-N 2.98Å; F221-F230 HydrophobicContact CB-CB 4.38Å; F221-F230 HydrophobicContact CD1-CB 4.3Å; F221-F230 HydrophobicContact CD2-CB 3.65Å; F221-F230 WeakPolarHBondContact CD2-O 3.33Å; F221-F230 HydrophobicContact CE1-CB 4.49Å; F221-F230 HydrophobicContact CE1-CD1 4.16Å; F221-F230 HydrophobicContact CE2-CB 3.81Å; F221-F230 AromaticContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CG 4.33Å; F221-F230 HydrophobicContact CG-CB 3.87Å; F221-F230 HydrophobicContact CZ-CB 4.23Å; F221-F230 AromaticContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CE1 4.47Å; F221-F230 HydrophobicContact CZ-CG 4.32Å |
| 222 | L | 89.1 | Confident | 89.8 | Confident | 117 Ų | 117 | 52.1 Ų | 52.1 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | 178.2 | -68 | 172.4 | 0 | 0 | 0 | 111.7 | T218 A219 Y220 | T218-L222 HydrophobicContact CG2-CD1 4.37Å; T218-L222 WeakPolarHBondContact O-CG 3.47Å; T218-L222 PolarHBondContact O-N 3.01Å; T218-L222 VanDerWaalsContact O-N 3.07Å; A219-L222 PolarHBondContact O-N 3.48Å; Y220-L222 PolarHBondContact O-N 3.22Å |
| 223 | L | 88.3 | Confident | 90 | Very high | 152 Ų | 152 | 48.3 Ų | 48.3 | 80% | 0.796 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.5 | -33.5 | -179.8 | -68.9 | 173.4 | 0 | 0 | 0 | 112.9 | A219 Y220 | A219-L223 WeakPolarHBondContact O-CB 3.34Å; A219-L223 VanDerWaalsContact O-CG 3.28Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 3.1Å; Y220-L223 PolarHBondContact O-N 3.21Å |
| 224 | K | 84 | Confident | 90.1 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -90.2 | -1.5 | -179.2 | -67.7 | -61.5 | -161 | 166.4 | 0 | 114.4 | E74 Y220 A226 | E74-K224 WeakPolarHBondContact OE1-CD 3.24Å; E74-K224 IonicContact OE1-NZ 3.47Å; E74-K224 WeakPolarHBondContact OE2-CG 3.42Å; Y220-K224 HydrophobicContact CD1-CG 4.16Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 HydrophobicContact CE2-CG 4.34Å; Y220-K224 WeakPolarHBondContact O-CB 3.35Å; Y220-K224 WeakPolarHBondContact O-CG 3.3Å; Y220-K224 PolarHBondContact O-N 2.99Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 3.23Å |
| 225 | G | 82.4 | Confident | 90.2 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 39.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F221 | F221-G225 PolarHBondContact O-N 3.37Å; F221-G225 VanDerWaalsContact O-N 3.17Å |
| 226 | A | 84.6 | Confident | 90.3 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | trans | -60.8 | 158.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F221 K224 L228 F230 | F221-A226 HydrophobicContact CB-CB 3.97Å; F221-A226 HydrophobicContact CD1-CB 4.12Å; F221-A226 HydrophobicContact CG-CB 4.31Å; F221-A226 PolarHBondContact O-N 2.98Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 3.23Å; A226-L228 PolarHBondContact O-N 3.07Å; A226-F230 HydrophobicContact CB-CB 4.23Å; A226-F230 HydrophobicContact CB-CD2 4.41Å | ||
| 227 | P | 86.6 | Confident | 90.5 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | trans | -50.6 | 141.8 | 176 | -25.8 | 32.4 | 0 | 0 | 0 | 112.2 | F67 F73 Q229 F230 | F67-P227 HydrophobicContact CZ-CB 4.49Å; F73-P227 HydrophobicContact CB-CG 4.43Å; P227-Q229 PolarHBondContact O-N 2.93Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.32Å; P227-F230 HydrophobicContact CG-CD2 4.03Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 WeakPolarHBondContact O-CB 3.3Å; P227-F230 PolarHBondContact O-N 2.81Å | ||
| 228 | L | 89.1 | Confident | 90.7 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 73% | 0.728 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -54 | -30.4 | -170.9 | -71 | 173.1 | 0 | 0 | 0 | 113.5 | A226 F230 S231 V232 | A226-L228 PolarHBondContact O-N 3.07Å; L228-F230 PolarHBondContact O-N 3.24Å; L228-S231 PolarHBondContact O-N 3.36Å; L228-V232 WeakPolarHBondContact O-CG2 3.17Å; L228-V232 PolarHBondContact O-N 3.48Å |
| 229 | Q | 90.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.7 | -40.7 | 175.8 | -59.6 | 87.7 | -15.6 | 0 | 0 | 112.2 | E172 F176 P227 C233 | E172-Q229 PolarHBondContact O-NE2 2.87Å; E172-Q229 PolarHBondContact OE2-NE2 3.34Å; F176-Q229 HydrophobicContact CB-CG 3.91Å; F176-Q229 HydrophobicContact CD2-CB 4.47Å; F176-Q229 HydrophobicContact CD2-CG 4.19Å; P227-Q229 PolarHBondContact O-N 2.93Å; Q229-C233 WeakPolarHBondContact O-CB 3.44Å; Q229-C233 PolarHBondContact O-N 3.19Å; Q229-C233 PolarHBondContact O-SG 3.47Å |
| 230 | F | 90.3 | Very high | 91 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -44.7 | -179.7 | -73.1 | -80 | 0 | 0 | 0 | 112 | R64 F67 F73 L77 V179 F221 A226 P227 L228 G234 | R64-F230 HydrophobicContact CG-CE1 4.48Å; R64-F230 HydrophobicContact CG-CZ 4.36Å; F67-F230 AromaticContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CZ 4.28Å; F73-F230 HydrophobicContact CD1-CE2 4.1Å; F73-F230 HydrophobicContact CD1-CZ 4.1Å; F73-F230 HydrophobicContact CD2-CZ 4.45Å; F73-F230 HydrophobicContact CE1-CZ 4.1Å; F73-F230 HydrophobicContact CE2-CZ 4.47Å; F73-F230 HydrophobicContact CG-CE2 4.24Å; F73-F230 HydrophobicContact CG-CZ 4.27Å; F73-F230 HydrophobicContact CZ-CZ 4.29Å; L77-F230 HydrophobicContact CD2-CD1 4.1Å; L77-F230 HydrophobicContact CD2-CE1 3.74Å; L77-F230 HydrophobicContact CD2-CE2 4.41Å; L77-F230 HydrophobicContact CD2-CZ 3.91Å; V179-F230 HydrophobicContact CG1-CD1 4.22Å; V179-F230 HydrophobicContact CG2-CD1 3.8Å; V179-F230 HydrophobicContact CG2-CE1 3.68Å; V179-F230 HydrophobicContact CG2-CG 4.35Å; V179-F230 HydrophobicContact CG2-CZ 4.16Å; F221-F230 HydrophobicContact CB-CB 4.38Å; F221-F230 HydrophobicContact CD1-CB 4.3Å; F221-F230 HydrophobicContact CD2-CB 3.65Å; F221-F230 WeakPolarHBondContact CD2-O 3.33Å; F221-F230 HydrophobicContact CE1-CB 4.49Å; F221-F230 HydrophobicContact CE1-CD1 4.16Å; F221-F230 HydrophobicContact CE2-CB 3.81Å; F221-F230 AromaticContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CG 4.33Å; F221-F230 HydrophobicContact CG-CB 3.87Å; F221-F230 HydrophobicContact CZ-CB 4.23Å; F221-F230 AromaticContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CE1 4.47Å; F221-F230 HydrophobicContact CZ-CG 4.32Å; A226-F230 HydrophobicContact CB-CB 4.23Å; A226-F230 HydrophobicContact CB-CD2 4.41Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.32Å; P227-F230 HydrophobicContact CG-CD2 4.03Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 WeakPolarHBondContact O-CB 3.3Å; P227-F230 PolarHBondContact O-N 2.81Å; L228-F230 PolarHBondContact O-N 3.24Å; F230-G234 WeakPolarHBondContact O-CA 2.92Å; F230-G234 PolarHBondContact O-N 3.08Å |
| 231 | S | 92.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | L228 L235 | L228-S231 PolarHBondContact O-N 3.36Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.48Å |
| 232 | V | 94 | Very high | 91.4 | Very high | 89 Ų | 89 | 54 Ų | 54 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 179.5 | 172.6 | 0 | 0 | 0 | 0 | 111 | L228 L235 L236 | L228-V232 WeakPolarHBondContact O-CG2 3.17Å; L228-V232 PolarHBondContact O-N 3.48Å; V232-L235 PolarHBondContact O-N 2.95Å; V232-L236 PolarHBondContact O-N 3.16Å |
| 233 | C | 94.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 179.5 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | V179 A183 Q229 L236 Q237 | V179-C233 HydrophobicContact CB-CB 4.01Å; V179-C233 HydrophobicContact CG1-CB 3.44Å; V179-C233 VanDerWaalsContact CG1-CB 3.44Å; A183-C233 HydrophobicContact CB-CB 4.08Å; Q229-C233 WeakPolarHBondContact O-CB 3.44Å; Q229-C233 PolarHBondContact O-N 3.19Å; Q229-C233 PolarHBondContact O-SG 3.47Å; C233-L236 WeakPolarHBondContact O-CB 3.39Å; C233-L236 PolarHBondContact O-N 2.91Å; C233-Q237 WeakPolarHBondContact O-CG 3.33Å; C233-Q237 PolarHBondContact O-N 2.89Å |
| 234 | G | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T218 F230 L236 Q237 V238 | T218-G234 VanDerWaalsContact OG1-CA 3.31Å; T218-G234 WeakPolarHBondContact OG1-CA 3.41Å; T218-G234 PolarHBondContact OG1-O 3.41Å; T218-G234 VanDerWaalsContact OG1-O 3.13Å; F230-G234 WeakPolarHBondContact O-CA 2.92Å; F230-G234 PolarHBondContact O-N 3.08Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.34Å; G234-Q237 WeakPolarHBondContact O-CB 3.32Å; G234-Q237 PolarHBondContact O-N 3.33Å; G234-V238 WeakPolarHBondContact O-CG2 3.44Å; G234-V238 PolarHBondContact O-N 3.17Å; G234-V238 VanDerWaalsContact O-N 3.08Å |
| 235 | L | 94.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.3 | -177.7 | 61.8 | 0 | 0 | 0 | 111.5 | S231 V232 Q237 V238 L239 | S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.48Å; V232-L235 PolarHBondContact O-N 2.95Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.9Å; L235-V238 PolarHBondContact O-N 3.35Å; L235-L239 HydrophobicContact CD1-CG 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.05Å |
| 236 | L | 95 | Very high | 92.8 | Very high | 63 Ų | 63 | 39 Ų | 39 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -42.7 | 174.9 | 178.9 | 63.7 | 0 | 0 | 0 | 111.8 | L180 A183 V232 C233 G234 L239 V240 | L180-L236 HydrophobicContact CD1-CD2 4.09Å; A183-L236 HydrophobicContact CB-CD2 4.27Å; V232-L236 PolarHBondContact O-N 3.16Å; C233-L236 WeakPolarHBondContact O-CB 3.39Å; C233-L236 PolarHBondContact O-N 2.91Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.34Å; L236-L239 PolarHBondContact O-N 3.26Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.49Å; L236-V240 PolarHBondContact O-N 3.23Å |
| 237 | Q | 95.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -51.6 | 175.4 | -73.1 | -176.2 | -73 | 0 | 0 | 111.7 | A183 D214 C233 G234 L235 L239 V240 D241 | A183-Q237 VanDerWaalsContact CA-CG 3.45Å; A183-Q237 HydrophobicContact CB-CG 3.61Å; D214-Q237 HydrophobicContact CB-CB 4.16Å; C233-Q237 WeakPolarHBondContact O-CG 3.33Å; C233-Q237 PolarHBondContact O-N 2.89Å; G234-Q237 WeakPolarHBondContact O-CB 3.32Å; G234-Q237 PolarHBondContact O-N 3.33Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.9Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.94Å; Q237-V240 PolarHBondContact O-N 3.5Å; Q237-V240 VanDerWaalsContact O-N 3.16Å; Q237-D241 WeakPolarHBondContact O-CB 3.42Å; Q237-D241 PolarHBondContact O-N 3.03Å |
| 238 | V | 95.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 111 | D214 A215 G234 L235 D241 L242 | D214-V238 HydrophobicContact CB-CG2 4.02Å; A215-V238 HydrophobicContact CB-CG2 4.3Å; G234-V238 WeakPolarHBondContact O-CG2 3.44Å; G234-V238 PolarHBondContact O-N 3.17Å; G234-V238 VanDerWaalsContact O-N 3.08Å; L235-V238 PolarHBondContact O-N 3.35Å; V238-D241 PolarHBondContact O-N 3.43Å; V238-L242 HydrophobicContact CG1-CD1 4.02Å; V238-L242 HydrophobicContact CG1-CG 4.36Å; V238-L242 WeakPolarHBondContact O-CB 3.5Å; V238-L242 VanDerWaalsContact O-CG 3.22Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.35Å |
| 239 | L | 96 | Very high | 93.4 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 178 | -70 | 173.6 | 0 | 0 | 0 | 112.7 | L235 L236 Q237 D241 L242 A243 | L235-L239 HydrophobicContact CD1-CG 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.05Å; L236-L239 PolarHBondContact O-N 3.26Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.94Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-L242 PolarHBondContact O-N 2.92Å; L239-A243 WeakPolarHBondContact O-CB 3.25Å; L239-A243 PolarHBondContact O-N 3.33Å |
| 240 | V | 94.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | V187 L236 Q237 A243 I244 | V187-V240 HydrophobicContact CG2-CG1 4.25Å; V187-V240 HydrophobicContact CG2-CG2 4Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.49Å; L236-V240 PolarHBondContact O-N 3.23Å; Q237-V240 PolarHBondContact O-N 3.5Å; Q237-V240 VanDerWaalsContact O-N 3.16Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.48Å; V240-I244 HydrophobicContact CG1-CD1 4.11Å; V240-I244 WeakPolarHBondContact O-CG1 3.36Å; V240-I244 PolarHBondContact O-N 3.27Å |
| 241 | D | 94.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 177.8 | -87.5 | 10.8 | 0 | 0 | 0 | 112.6 | W210 T211 Q237 V238 L239 A243 I244 L245 | W210-D241 WeakPolarHBondContact CB-OD2 3.47Å; T211-D241 WeakPolarHBondContact CA-OD2 3.43Å; T211-D241 HydrophobicContact CG2-CB 4.17Å; T211-D241 PolarHBondContact N-OD2 2.84Å; T211-D241 WeakPolarHBondContact OG1-CB 3.5Å; T211-D241 PolarHBondContact OG1-OD2 3.08Å; Q237-D241 WeakPolarHBondContact O-CB 3.42Å; Q237-D241 PolarHBondContact O-N 3.03Å; V238-D241 PolarHBondContact O-N 3.43Å; L239-D241 VanDerWaalsContact C-N 3.33Å; D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 3.5Å; D241-I244 PolarHBondContact O-N 3.47Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.01Å |
| 242 | L | 94.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 44 Ų | 44 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62 | -37 | 174.1 | -70.7 | 176 | 0 | 0 | 0 | 111.8 | T211 V238 L239 L245 G246 | T211-L242 HydrophobicContact CG2-CD2 4.08Å; T211-L242 HydrophobicContact CG2-CG 4.44Å; V238-L242 HydrophobicContact CG1-CD1 4.02Å; V238-L242 HydrophobicContact CG1-CG 4.36Å; V238-L242 WeakPolarHBondContact O-CB 3.5Å; V238-L242 VanDerWaalsContact O-CG 3.22Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.35Å; L239-L242 PolarHBondContact O-N 2.92Å; L242-L245 PolarHBondContact O-N 3.29Å; L242-G246 PolarHBondContact O-N 2.9Å |
| 243 | A | 94.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L190 L239 V240 D241 G246 Q247 | L190-A243 HydrophobicContact CD1-CB 3.62Å; L190-A243 HydrophobicContact CD2-CB 4.33Å; L239-A243 WeakPolarHBondContact O-CB 3.25Å; L239-A243 PolarHBondContact O-N 3.33Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.48Å; D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 3.5Å; A243-G246 PolarHBondContact O-N 3.43Å; A243-Q247 WeakPolarHBondContact O-CG 3.34Å; A243-Q247 PolarHBondContact O-N 3.46Å |
| 244 | I | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174.6 | -67.5 | 167.6 | 0 | 0 | 0 | 110.8 | G186 Q189 L190 M202 V207 V240 D241 G246 Q247 A248 | G186-I244 WeakPolarHBondContact O-CD1 3.35Å; Q189-I244 HydrophobicContact CB-CD1 4.33Å; Q189-I244 HydrophobicContact CG-CD1 4.45Å; L190-I244 HydrophobicContact CB-CD1 4.39Å; L190-I244 HydrophobicContact CB-CG1 3.88Å; L190-I244 HydrophobicContact CD1-CG1 3.89Å; M202-I244 HydrophobicContact CE-CG2 3.66Å; M202-I244 HydrophobicContact SD-CG2 3.47Å; M202-I244 WeakPolarHBondContact SD-CG2 3.4Å; V207-I244 HydrophobicContact CG1-CB 4.3Å; V207-I244 HydrophobicContact CG1-CG2 3.86Å; V207-I244 HydrophobicContact CG2-CG2 4.14Å; V240-I244 HydrophobicContact CG1-CD1 4.11Å; V240-I244 WeakPolarHBondContact O-CG1 3.36Å; V240-I244 PolarHBondContact O-N 3.27Å; D241-I244 PolarHBondContact O-N 3.47Å; I244-G246 VanDerWaalsContact C-N 3.33Å; I244-G246 PolarHBondContact O-N 2.79Å; I244-Q247 PolarHBondContact O-N 3.41Å; I244-A248 PolarHBondContact O-N 3.16Å |
| 245 | L | 93.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.8 | -70.4 | 173.2 | 0 | 0 | 0 | 111.7 | I204 V207 L208 T211 D241 L242 A248 Y249 | I204-L245 HydrophobicContact CG2-CD2 4.31Å; V207-L245 HydrophobicContact CB-CD2 4.02Å; V207-L245 HydrophobicContact CG1-CD2 3.68Å; V207-L245 HydrophobicContact CG1-CG 3.75Å; L208-L245 HydrophobicContact CD2-CD1 3.79Å; L208-L245 HydrophobicContact CD2-CD2 3.95Å; L208-L245 HydrophobicContact CG-CD2 4.06Å; T211-L245 HydrophobicContact CG2-CD1 4.35Å; T211-L245 WeakPolarHBondContact OG1-CD1 3.45Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.01Å; L242-L245 PolarHBondContact O-N 3.29Å; L245-A248 PolarHBondContact O-N 3.3Å; L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 2.96Å |
| 246 | G | 92.6 | Very high | 87.7 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L242 A243 I244 Y249 A250 | L242-G246 PolarHBondContact O-N 2.9Å; A243-G246 PolarHBondContact O-N 3.43Å; I244-G246 VanDerWaalsContact C-N 3.33Å; I244-G246 PolarHBondContact O-N 2.79Å; G246-Y249 PolarHBondContact O-N 3.15Å; G246-A250 WeakPolarHBondContact O-CB 3.43Å; G246-A250 PolarHBondContact O-N 2.98Å |
| 247 | Q | 92.2 | Very high | 85.3 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 173.5 | -74 | 176.8 | -19.5 | 0 | 0 | 112.1 | L190 N193 A243 I244 Y249 A250 F251 | L190-Q247 HydrophobicContact CD1-CG 4.43Å; L190-Q247 PolarHBondContact O-NE2 2.95Å; L190-Q247 PolarHBondContact O-OE1 2.96Å; N193-Q247 PolarHBondContact ND2-OE1 3Å; A243-Q247 WeakPolarHBondContact O-CG 3.34Å; A243-Q247 PolarHBondContact O-N 3.46Å; I244-Q247 PolarHBondContact O-N 3.41Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Q247-A250 PolarHBondContact O-N 3.19Å; Q247-F251 HydrophobicContact CB-CE2 4.12Å; Q247-F251 WeakPolarHBondContact O-CD2 3.29Å; Q247-F251 WeakPolarHBondContact O-CG 3.31Å; Q247-F251 PolarHBondContact O-N 3.32Å |
| 248 | A | 90.1 | Very high | 82.9 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T199 M202 I204 I244 L245 A252 | T199-A248 HydrophobicContact CG2-CB 3.94Å; M202-A248 HydrophobicContact CE-CB 3.89Å; I204-A248 HydrophobicContact CD1-CB 4.44Å; I204-A248 HydrophobicContact CG1-CB 4.46Å; I244-A248 PolarHBondContact O-N 3.16Å; L245-A248 PolarHBondContact O-N 3.3Å; A248-A252 VanDerWaalsContact O-CB 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.69Å |
| 249 | Y | 90.4 | Very high | 80.7 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 51% | 0.51 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 176.9 | -178.7 | -108.3 | 0 | 0 | 0 | 113.1 | L245 G246 Q247 A252 R253 | L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 2.96Å; G246-Y249 PolarHBondContact O-N 3.15Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Y249-A252 PolarHBondContact O-N 3.25Å; Y249-R253 PolarHBondContact O-N 3.24Å; Y249-R253 VanDerWaalsContact O-N 3.14Å; Y249-R253 PolarHBondContact OH-NE 3.14Å; Y249-R253 PolarHBondContact OH-NH2 2.72Å |
| 250 | A | 90.3 | Very high | 78.1 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 34% | 0.339 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G246 Q247 R253 H254 | G246-A250 WeakPolarHBondContact O-CB 3.43Å; G246-A250 PolarHBondContact O-N 2.98Å; Q247-A250 PolarHBondContact O-N 3.19Å; A250-R253 PolarHBondContact O-N 3.11Å; A250-H254 PolarHBondContact O-N 3.41Å; A250-H254 VanDerWaalsContact O-N 3.16Å |
| 251 | F | 87.9 | Confident | 75.8 | Confident | 39 Ų | 39 | 87 Ų | 87 | 17% | 0.171 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -72.1 | -29.2 | 179.6 | -58.4 | -25.9 | 0 | 0 | 0 | 112.7 | N193 Q197 T199 Q247 R253 H254 | N193-F251 HydrophobicContact CB-CE2 4.41Å; N193-F251 WeakPolarHBondContact O-CE2 3.48Å; Q197-F251 HydrophobicContact CB-CE1 4.47Å; Q197-F251 HydrophobicContact CB-CZ 4.43Å; T199-F251 HydrophobicContact CG2-CD2 3.85Å; T199-F251 HydrophobicContact CG2-CE2 4.49Å; Q247-F251 HydrophobicContact CB-CE2 4.12Å; Q247-F251 WeakPolarHBondContact O-CD2 3.29Å; Q247-F251 WeakPolarHBondContact O-CG 3.31Å; Q247-F251 PolarHBondContact O-N 3.32Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-H254 CarbonylContact O-C 3.49Å; F251-H254 VanDerWaalsContact O-C 3.31Å |
| 252 | A | 84.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 91 Ų | 91 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -32.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | A248 Y249 | A248-A252 VanDerWaalsContact O-CB 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.69Å; Y249-A252 PolarHBondContact O-N 3.25Å |
| 253 | R | 79.3 | Confident | 70.6 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.8 | -26.6 | 177.6 | -78 | -177 | 160.7 | -157 | -9.1 | 113.7 | Y249 A250 F251 P255 | Y249-R253 PolarHBondContact O-N 3.24Å; Y249-R253 VanDerWaalsContact O-N 3.14Å; Y249-R253 PolarHBondContact OH-NE 3.14Å; Y249-R253 PolarHBondContact OH-NH2 2.72Å; A250-R253 PolarHBondContact O-N 3.11Å; F251-R253 VanDerWaalsContact C-N 3.34Å; R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å |
| 254 | H | 70.7 | Confident | 67.9 | Low | 149 Ų | 149 | 98.7 Ų | 98.7 | 69% | 0.69 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -115.3 | 69.4 | 174.9 | -63.7 | -73.5 | 0 | 0 | 0 | 109.8 | A250 F251 Q256 | A250-H254 PolarHBondContact O-N 3.41Å; A250-H254 VanDerWaalsContact O-N 3.16Å; F251-H254 CarbonylContact O-C 3.49Å; F251-H254 VanDerWaalsContact O-C 3.31Å; H254-Q256 PolarHBondContact O-N 3.44Å |
| 255 | P | 61 | Low | 65.3 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 67% | 0.669 | 57% | 0.573 | S | S | * | * | trans | -57.3 | 115.9 | 175.3 | 23.6 | -31.4 | 0 | 0 | 0 | 108.1 | R253 K257 | R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å; P255-K257 PolarHBondContact O-N 2.88Å | ||
| 256 | Q | 56.1 | Low | 62.6 | Low | 137 Ų | 137 | 106.6 Ų | 106.6 | 64% | 0.64 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129.1 | 175.1 | -66.8 | -157.8 | -6.4 | 0 | 0 | 107.8 | H254 | H254-Q256 PolarHBondContact O-N 3.44Š|
| 257 | K | 44.3 | Very low | 59.9 | Low | 195 Ų | 195 | 108.4 Ų | 108.4 | 85% | 0.848 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 130.1 | 168.1 | -77.7 | 178.8 | 176.8 | 177.9 | 0 | 106.8 | P255 A259 | P255-K257 PolarHBondContact O-N 2.88Å; K257-A259 PolarHBondContact O-N 2.81Å |
| 258 | P | 46.3 | Very low | 57.2 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 78% | 0.779 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 123.7 | 176.4 | 15.7 | -24.8 | 0 | 0 | 0 | 107.6 | L260 | P258-L260 PolarHBondContact O-N 2.88Š|
| 259 | A | 48.1 | Very low | 54.8 | Low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 119.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | K257 H261 | K257-A259 PolarHBondContact O-N 2.81Å; A259-H261 PolarHBondContact O-N 2.8Å |
| 260 | L | 41.6 | Very low | 52.2 | Low | 167 Ų | 167 | 120.9 Ų | 120.9 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -49.5 | 107.6 | 174.8 | -112.7 | 118.8 | 0 | 0 | 0 | 106 | P258 A262 | P258-L260 PolarHBondContact O-N 2.88Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.02Å | ||
| 261 | H | 46.3 | Very low | 49.5 | Very low | 175 Ų | 175 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -53.3 | 112.3 | 163.1 | -81.2 | -69.6 | 0 | 0 | 0 | 104.5 | A259 V263 | A259-H261 PolarHBondContact O-N 2.8Å; H261-V263 VanDerWaalsContact C-N 3.3Å; H261-V263 PolarHBondContact O-N 3.05Å | ||
| 262 | A | 40.5 | Very low | 47.6 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -53 | 106.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | L260 H264 | L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.02Å; A262-H264 VanDerWaalsContact C-N 3.33Å; A262-H264 PolarHBondContact O-N 3.26Å | ||
| 263 | V | 40.4 | Very low | 45.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 106.1 | 170 | 172.4 | 0 | 0 | 0 | 0 | 104.2 | H261 P265 | H261-V263 VanDerWaalsContact C-N 3.3Å; H261-V263 PolarHBondContact O-N 3.05Å; V263-P265 VanDerWaalsContact O-CD 3.3Å; V263-P265 WeakPolarHBondContact O-CD 3.24Å; V263-P265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | H | 37.9 | Very low | 43.8 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -53.1 | 118.2 | 163.3 | -107 | -68.5 | 0 | 0 | 0 | 105.3 | A262 A266 | A262-H264 VanDerWaalsContact C-N 3.33Å; A262-H264 PolarHBondContact O-N 3.26Å; H264-A266 PolarHBondContact O-N 3.49Å | ||
| 265 | P | 38 | Very low | 42.2 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -61 | 120.7 | 175.2 | 24.3 | -29.6 | 0 | 0 | 0 | 106.1 | V263 G267 | V263-P265 VanDerWaalsContact O-CD 3.3Å; V263-P265 WeakPolarHBondContact O-CD 3.24Å; V263-P265 VanDerWaalsContact O-N 3.08Å; P265-G267 PolarHBondContact O-N 2.97Å | ||
| 266 | A | 37.6 | Very low | 41.1 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -51.3 | 112.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | H264 T268 | H264-A266 PolarHBondContact O-N 3.49Å; A266-T268 PolarHBondContact O-N 2.96Å | ||
| 267 | G | 35.5 | Very low | 40.1 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -52.4 | 111.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P265 K269 | P265-G267 PolarHBondContact O-N 2.97Å; G267-K269 PolarHBondContact O-N 3.48Å | ||
| 268 | T | 35.9 | Very low | 39.8 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -66 | 128.8 | 175.1 | -46.7 | 0 | 0 | 0 | 0 | 107.7 | A266 A270 | A266-T268 PolarHBondContact O-N 2.96Å; T268-A270 PolarHBondContact O-N 3.03Å | ||
| 269 | K | 39.4 | Very low | 39.2 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -53.4 | 132.5 | 165.8 | -66.7 | 175.4 | 174.2 | -179.5 | 0 | 109.8 | G267 | G267-K269 PolarHBondContact O-N 3.48Š| ||
| 270 | A | 34.5 | Very low | 38.5 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -166.3 | 123.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111 | T268 | T268-A270 PolarHBondContact O-N 3.03Š| ||
| 271 | L | 34.4 | Very low | 38.2 | Very low | 254 Ų | 254 | 138.1 Ų | 138.1 | 100% | 1.33 | 83% | 0.831 | S | S | * | * | trans | 74.8 | 0 | 167.8 | -72.5 | 143.9 | 0 | 0 | 0 | 118.3 |
Retrieved 271 of 271 residues in 139.7 ms
(Link to these results)