| 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 | 43.5 | Very low | 65.7 | Low | 201 Ų | 201 | 86.5 Ų | 86.5 | 99% | 0.99 | 50% | 0.497 | S | S | * | . | 0 | -56.9 | 0 | -69.5 | -176.1 | 175.3 | 0 | 0 | 113.4 | G3 Q4 C5 | M1-G3 PolarHBondContact O-N 2.92Å; M1-Q4 PolarHBondContact O-N 3.28Å; M1-C5 PolarHBondContact O-N 3.2Å | |||
| 2 | M | 46.2 | Very low | 67.2 | Low | 187 Ų | 187 | 86.9 Ų | 86.9 | 92% | 0.921 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -36.9 | 176.9 | -84.2 | 167.6 | 146.8 | 0 | 0 | 114.4 | ||
| 3 | G | 57.7 | Low | 68.7 | Low | 42 Ų | 42 | 84.4 Ų | 84.4 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.8 | -33.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 I7 R235 | M1-G3 PolarHBondContact O-N 2.92Å; G3-I7 WeakPolarHBondContact O-CG1 3.49Å; G3-I7 PolarHBondContact O-N 3.38Å; G3-R235 PolarHBondContact O-NH1 2.91Å |
| 4 | Q | 60.7 | Low | 69.8 | Low | 132 Ų | 132 | 78.5 Ų | 78.5 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.6 | -39.4 | -179.8 | -87.5 | 152.7 | -35.2 | 0 | 0 | 112.1 | M1 G6 I7 T8 | M1-Q4 PolarHBondContact O-N 3.28Å; Q4-G6 VanDerWaalsContact C-N 3.3Å; Q4-G6 PolarHBondContact O-N 3.12Å; Q4-I7 PolarHBondContact O-N 3.36Å; Q4-T8 PolarHBondContact O-N 3.17Å; Q4-T8 VanDerWaalsContact O-N 3.09Å; Q4-T8 PolarHBondContact O-OG1 3.45Å; Q4-T8 VanDerWaalsContact O-OG1 3.13Å |
| 5 | C | 62 | Low | 71 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 63% | 0.628 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 177.8 | -163.5 | 0 | 0 | 0 | 0 | 111.8 | M1 S9 | M1-C5 PolarHBondContact O-N 3.2Å; C5-S9 WeakPolarHBondContact O-CB 3.22Å; C5-S9 PolarHBondContact O-N 3.29Å |
| 6 | G | 68.8 | Low | 72.1 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 25% | 0.247 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q4 S10 | Q4-G6 VanDerWaalsContact C-N 3.3Å; Q4-G6 PolarHBondContact O-N 3.12Å; G6-S10 WeakPolarHBondContact O-CB 3.5Å; G6-S10 PolarHBondContact O-N 3.23Å; G6-S10 VanDerWaalsContact O-N 3.13Å; G6-S10 PolarHBondContact O-OG 3.26Å |
| 7 | I | 69.4 | Low | 73 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71.7 | -47.3 | 175.6 | -65.4 | 169.2 | 0 | 0 | 0 | 109.8 | G3 Q4 S9 S10 K11 R235 | G3-I7 WeakPolarHBondContact O-CG1 3.49Å; G3-I7 PolarHBondContact O-N 3.38Å; Q4-I7 PolarHBondContact O-N 3.36Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 3Å; I7-S10 PolarHBondContact O-N 2.99Å; I7-K11 HydrophobicContact CG2-CD 4.06Å; I7-K11 HydrophobicContact CG2-CG 4.44Å; I7-K11 WeakPolarHBondContact O-CG 3.38Å; I7-K11 PolarHBondContact O-N 3.47Å; I7-R235 HydrophobicContact CD1-CB 4.18Å; I7-R235 HydrophobicContact CG1-CB 4.46Å; I7-R235 VanDerWaalsContact CG1-CD 3.49Å |
| 8 | T | 73.4 | Confident | 73.9 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 55% | 0.546 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | Q4 S10 K11 T12 | Q4-T8 PolarHBondContact O-N 3.17Å; Q4-T8 VanDerWaalsContact O-N 3.09Å; Q4-T8 PolarHBondContact O-OG1 3.45Å; Q4-T8 VanDerWaalsContact O-OG1 3.13Å; T8-S10 PolarHBondContact O-N 3.27Å; T8-K11 PolarHBondContact O-N 2.92Å; T8-T12 PolarHBondContact O-N 3.5Å; T8-T12 PolarHBondContact O-OG1 3.09Å |
| 9 | S | 78.8 | Confident | 74.7 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | C5 I7 K11 T12 V13 | C5-S9 WeakPolarHBondContact O-CB 3.22Å; C5-S9 PolarHBondContact O-N 3.29Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 3Å; S9-K11 PolarHBondContact O-N 3.01Å; S9-T12 PolarHBondContact O-N 3.19Å; S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 3Å |
| 10 | S | 80.8 | Confident | 75.5 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | G6 I7 T8 L14 | G6-S10 WeakPolarHBondContact O-CB 3.5Å; G6-S10 PolarHBondContact O-N 3.23Å; G6-S10 VanDerWaalsContact O-N 3.13Å; G6-S10 PolarHBondContact O-OG 3.26Å; I7-S10 PolarHBondContact O-N 2.99Å; T8-S10 PolarHBondContact O-N 3.27Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.4Å |
| 11 | K | 81.6 | Confident | 76.1 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.4 | -74.1 | 177.8 | 175 | 177.9 | 0 | 111.4 | I7 T8 S9 V13 L14 V15 T76 E79 V232 | I7-K11 HydrophobicContact CG2-CD 4.06Å; I7-K11 HydrophobicContact CG2-CG 4.44Å; I7-K11 WeakPolarHBondContact O-CG 3.38Å; I7-K11 PolarHBondContact O-N 3.47Å; T8-K11 PolarHBondContact O-N 2.92Å; S9-K11 PolarHBondContact O-N 3.01Å; K11-V13 PolarHBondContact O-N 3.18Å; K11-L14 PolarHBondContact O-N 3.38Å; K11-V15 WeakPolarHBondContact O-CG2 3.46Å; K11-V15 PolarHBondContact O-N 3.28Å; K11-T76 HydrophobicContact CB-CG2 4.43Å; K11-E79 IonicContact NZ-OE1 2.63Å; K11-E79 PolarHBondContact NZ-OE1 2.89Å; K11-E79 IonicContact NZ-OE2 3.14Å; K11-E79 PolarHBondContact NZ-OE2 3.37Å; K11-E79 VanDerWaalsContact NZ-OE2 3.14Å; K11-V232 HydrophobicContact CG-CG2 4.08Å |
| 12 | T | 84.3 | Confident | 78.4 | Confident | 91 Ų | 91 | 68 Ų | 68 | 56% | 0.558 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | T8 S9 L14 V15 F16 | T8-T12 PolarHBondContact O-N 3.5Å; T8-T12 PolarHBondContact O-OG1 3.09Å; S9-T12 PolarHBondContact O-N 3.19Å; T12-L14 PolarHBondContact O-N 3.41Å; T12-V15 PolarHBondContact O-N 2.99Å; T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.4Å; T12-F16 PolarHBondContact O-N 3.49Å |
| 13 | V | 85.7 | Confident | 80.6 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | S9 K11 V15 F16 L17 | S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 3Å; K11-V13 PolarHBondContact O-N 3.18Å; V13-V15 PolarHBondContact O-N 3.38Å; V13-F16 PolarHBondContact O-N 2.81Å; V13-L17 HydrophobicContact CG1-CD1 3.83Å; V13-L17 HydrophobicContact CG1-CG 4.25Å; V13-L17 WeakPolarHBondContact O-CB 3.2Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 3.14Å |
| 14 | L | 84.9 | Confident | 82.2 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | -178.9 | -164.6 | 66.8 | 0 | 0 | 0 | 112.2 | S10 K11 T12 N18 T76 L84 F87 C228 A229 | S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.4Å; K11-L14 PolarHBondContact O-N 3.38Å; T12-L14 PolarHBondContact O-N 3.41Å; L14-N18 WeakPolarHBondContact O-CB 3.25Å; L14-N18 PolarHBondContact O-N 2.87Å; L14-N18 PolarHBondContact O-ND2 2.94Å; L14-T76 HydrophobicContact CB-CG2 4.39Å; L14-T76 HydrophobicContact CD2-CG2 4.07Å; L14-T76 WeakPolarHBondContact CD2-OG1 3.31Å; L14-L84 HydrophobicContact CD2-CD1 3.96Å; L14-F87 HydrophobicContact CD1-CE1 4.05Å; L14-C228 HydrophobicContact CD1-CB 4.37Å; L14-A229 HydrophobicContact CD2-CB 4.26Å |
| 15 | V | 87.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 55 Ų | 55 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | K11 T12 V13 L17 N18 L19 T76 V77 | K11-V15 WeakPolarHBondContact O-CG2 3.46Å; K11-V15 PolarHBondContact O-N 3.28Å; T12-V15 PolarHBondContact O-N 2.99Å; V13-V15 PolarHBondContact O-N 3.38Å; V15-L17 PolarHBondContact O-N 3.16Å; V15-N18 PolarHBondContact O-N 2.97Å; V15-L19 HydrophobicContact CG1-CD1 3.96Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.05Å; V15-T76 HydrophobicContact CG2-CG2 3.6Å; V15-V77 HydrophobicContact CG2-CG2 4.41Å |
| 16 | F | 89.4 | Confident | 85.2 | Confident | 127 Ų | 127 | 51.9 Ų | 51.9 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 179.6 | -178.4 | -104.3 | 0 | 0 | 0 | 112.4 | T12 V13 N18 L19 I20 | T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.4Å; T12-F16 PolarHBondContact O-N 3.49Å; V13-F16 PolarHBondContact O-N 2.81Å; F16-N18 PolarHBondContact O-N 3.47Å; F16-L19 PolarHBondContact O-N 3.47Å; F16-I20 HydrophobicContact CD1-CD1 3.82Å; F16-I20 HydrophobicContact CE1-CD1 3.28Å; F16-I20 HydrophobicContact CE1-CG1 4.35Å; F16-I20 HydrophobicContact CE2-CD1 4.29Å; F16-I20 HydrophobicContact CZ-CD1 3.56Å; F16-I20 HydrophobicContact CZ-CG1 4.35Å; F16-I20 PolarHBondContact O-N 3.49Å |
| 17 | L | 87.1 | Confident | 86.4 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.1 | -70.8 | 175.4 | 0 | 0 | 0 | 111.7 | V13 V15 L19 I20 F21 I221 L224 | V13-L17 HydrophobicContact CG1-CD1 3.83Å; V13-L17 HydrophobicContact CG1-CG 4.25Å; V13-L17 WeakPolarHBondContact O-CB 3.2Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 3.14Å; V15-L17 PolarHBondContact O-N 3.16Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.15Å; L17-I20 PolarHBondContact O-N 3.42Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 2.93Å; L17-I221 HydrophobicContact CD1-CG2 4.41Å; L17-I221 HydrophobicContact CD2-CG2 4.05Å; L17-L224 HydrophobicContact CD1-CD2 4.27Å |
| 18 | N | 88.7 | Confident | 87.5 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 177.2 | -82.5 | -73 | 0 | 0 | 0 | 112.5 | L14 V15 F16 F21 W22 F87 | L14-N18 WeakPolarHBondContact O-CB 3.25Å; L14-N18 PolarHBondContact O-N 2.87Å; L14-N18 PolarHBondContact O-ND2 2.94Å; V15-N18 PolarHBondContact O-N 2.97Å; F16-N18 PolarHBondContact O-N 3.47Å; N18-F21 PolarHBondContact O-N 2.96Å; N18-W22 WeakPolarHBondContact O-CB 3.5Å; N18-W22 PolarHBondContact O-N 3.17Å; N18-F87 VanDerWaalsContact OD1-CE2 3.3Å; N18-F87 WeakPolarHBondContact OD1-CE2 3.21Å; N18-F87 VanDerWaalsContact OD1-CZ 3.25Å; N18-F87 WeakPolarHBondContact OD1-CZ 3.48Å |
| 19 | L | 89.6 | Confident | 88.4 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 45% | 0.45 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.2 | -73.4 | 174.5 | 0 | 0 | 0 | 112.3 | V15 F16 L17 W22 A23 | V15-L19 HydrophobicContact CG1-CD1 3.96Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 3.47Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.15Å; L19-W22 PolarHBondContact O-N 3.36Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.91Å |
| 20 | I | 89.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.4 | -71.5 | 173.1 | 0 | 0 | 0 | 110.2 | F16 L17 W22 A23 A24 | F16-I20 HydrophobicContact CD1-CD1 3.82Å; F16-I20 HydrophobicContact CE1-CD1 3.28Å; F16-I20 HydrophobicContact CE1-CG1 4.35Å; F16-I20 HydrophobicContact CE2-CD1 4.29Å; F16-I20 HydrophobicContact CZ-CD1 3.56Å; F16-I20 HydrophobicContact CZ-CG1 4.35Å; F16-I20 PolarHBondContact O-N 3.49Å; L17-I20 PolarHBondContact O-N 3.42Å; I20-W22 VanDerWaalsContact C-N 3.31Å; I20-W22 PolarHBondContact O-N 2.62Å; I20-A23 PolarHBondContact O-N 3.21Å; I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 3.15Å |
| 21 | F | 88.1 | Confident | 89.6 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 179.1 | -75.9 | -58.1 | 0 | 0 | 0 | 112.4 | L17 N18 A24 A25 F218 I221 | L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 2.93Å; N18-F21 PolarHBondContact O-N 2.96Å; F21-A24 PolarHBondContact O-N 3.34Å; F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 2.99Å; F21-F218 HydrophobicContact CD1-CE2 4.32Å; F21-F218 AromaticContact CE1-CD2 3.87Å; F21-F218 HydrophobicContact CE1-CD2 3.87Å; F21-F218 AromaticContact CE1-CE2 3.63Å; F21-F218 HydrophobicContact CE1-CE2 3.63Å; F21-F218 HydrophobicContact CZ-CD2 4.28Å; F21-F218 HydrophobicContact CZ-CE2 4.11Å; F21-I221 HydrophobicContact CE2-CG2 3.51Å; F21-I221 HydrophobicContact CZ-CB 4.14Å; F21-I221 HydrophobicContact CZ-CD1 4.44Å; F21-I221 HydrophobicContact CZ-CG2 3.42Å; F21-I221 VanDerWaalsContact CZ-CG2 3.42Å |
| 22 | W | 91.9 | Very high | 89.9 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.5 | -179.7 | 82.3 | 0 | 0 | 0 | 112.1 | N18 L19 I20 A25 G26 F66 L70 | N18-W22 WeakPolarHBondContact O-CB 3.5Å; N18-W22 PolarHBondContact O-N 3.17Å; L19-W22 PolarHBondContact O-N 3.36Å; I20-W22 VanDerWaalsContact C-N 3.31Å; I20-W22 PolarHBondContact O-N 2.62Å; W22-A25 PolarHBondContact O-N 3.27Å; W22-G26 PolarHBondContact O-N 3Å; W22-F66 AromaticContact CD1-CD2 3.68Å; W22-F66 AromaticContact CD1-CE2 3.8Å; W22-F66 HydrophobicContact CD2-CD2 4.44Å; W22-F66 HydrophobicContact CD2-CE2 4.05Å; W22-F66 AromaticContact CE2-CD2 3.89Å; W22-F66 AromaticContact CE2-CE2 3.19Å; W22-F66 AromaticContact CE2-CZ 3.46Å; W22-F66 VanDerWaalsContact CE2-CZ 3.46Å; W22-F66 HydrophobicContact CG-CD2 4.34Å; W22-F66 HydrophobicContact CG-CE2 4.38Å; W22-F66 HydrophobicContact CH2-CE2 4.34Å; W22-F66 HydrophobicContact CZ2-CD2 4.48Å; W22-F66 AromaticContact CZ2-CE2 3.39Å; W22-F66 HydrophobicContact CZ2-CE2 3.39Å; W22-F66 AromaticContact CZ2-CZ 3.43Å; W22-F66 HydrophobicContact CZ2-CZ 3.43Å; W22-F66 VanDerWaalsContact CZ2-CZ 3.43Å; W22-F66 AromaticContact NE1-CD1 3.9Å; W22-F66 AromaticContact NE1-CD2 3.37Å; W22-F66 AromaticContact NE1-CE1 3.57Å; W22-F66 AromaticContact NE1-CE2 3Å; W22-F66 AromaticContact NE1-CG 3.82Å; W22-F66 AromaticContact NE1-CZ 3.12Å; W22-L70 VanDerWaalsContact NE1-CD2 3.29Å |
| 23 | A | 92.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L19 I20 A25 G26 I27 | L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.91Å; I20-A23 PolarHBondContact O-N 3.21Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.49Å; A23-G26 PolarHBondContact O-N 3.47Å; A23-I27 WeakPolarHBondContact O-CG1 3.35Å; A23-I27 PolarHBondContact O-N 3.21Å |
| 24 | A | 92 | Very high | 90.4 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I20 F21 I27 L28 | I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 3.15Å; F21-A24 PolarHBondContact O-N 3.34Å; A24-I27 PolarHBondContact O-N 3.24Å; A24-L28 WeakPolarHBondContact O-CG 3.33Å; A24-L28 PolarHBondContact O-N 2.79Å |
| 25 | A | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F21 W22 A23 I27 L28 C29 L65 F66 | F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 2.99Å; W22-A25 PolarHBondContact O-N 3.27Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.49Å; A25-I27 PolarHBondContact O-N 3.26Å; A25-L28 PolarHBondContact O-N 2.84Å; A25-C29 PolarHBondContact O-N 3.36Å; A25-C29 PolarHBondContact O-SG 3.33Å; A25-C29 VanDerWaalsContact O-SG 3.36Å; A25-L65 HydrophobicContact CB-CB 3.79Å; A25-F66 HydrophobicContact CB-CB 4.01Å |
| 26 | G | 93.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W22 A23 C29 Y30 | W22-G26 PolarHBondContact O-N 3Å; A23-G26 PolarHBondContact O-N 3.47Å; G26-C29 PolarHBondContact O-N 3.22Å; G26-Y30 WeakPolarHBondContact O-CB 3.31Å; G26-Y30 PolarHBondContact O-N 2.94Å |
| 27 | I | 93.9 | Very high | 90.2 | Very high | 110 Ų | 110 | 64.2 Ų | 64.2 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 175.2 | -65.9 | 166 | 0 | 0 | 0 | 110.6 | A23 A24 A25 C29 Y30 V31 | A23-I27 WeakPolarHBondContact O-CG1 3.35Å; A23-I27 PolarHBondContact O-N 3.21Å; A24-I27 PolarHBondContact O-N 3.24Å; A25-I27 PolarHBondContact O-N 3.26Å; I27-C29 PolarHBondContact O-N 2.89Å; I27-Y30 WeakPolarHBondContact O-CB 3.44Å; I27-Y30 PolarHBondContact O-N 3.49Å; I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 WeakPolarHBondContact O-CG2 3.35Å; I27-V31 PolarHBondContact O-N 3.26Å |
| 28 | L | 91.5 | Very high | 90 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.4 | -75.8 | 170.3 | 0 | 0 | 0 | 112.1 | A24 A25 Y30 V31 G32 | A24-L28 WeakPolarHBondContact O-CG 3.33Å; A24-L28 PolarHBondContact O-N 2.79Å; A25-L28 PolarHBondContact O-N 2.84Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 2.99Å; L28-V31 PolarHBondContact O-N 3.47Å; L28-G32 PolarHBondContact O-N 3.31Å |
| 29 | C | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.9 | -73.8 | 0 | 0 | 0 | 0 | 112 | A25 G26 I27 G32 A33 G62 A63 | A25-C29 PolarHBondContact O-N 3.36Å; A25-C29 PolarHBondContact O-SG 3.33Å; A25-C29 VanDerWaalsContact O-SG 3.36Å; G26-C29 PolarHBondContact O-N 3.22Å; I27-C29 PolarHBondContact O-N 2.89Å; C29-G32 PolarHBondContact O-N 3.33Å; C29-A33 VanDerWaalsContact O-CB 3.29Å; C29-A33 WeakPolarHBondContact O-CB 3.4Å; C29-A33 PolarHBondContact O-N 2.91Å; C29-G62 VanDerWaalsContact SG-CA 3.59Å; C29-A63 PolarHBondContact SG-N 3.2Å |
| 30 | Y | 92.8 | Very high | 88.4 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 178.6 | 172.6 | -97.5 | 0 | 0 | 0 | 111.7 | G26 I27 L28 A33 Y34 | G26-Y30 WeakPolarHBondContact O-CB 3.31Å; G26-Y30 PolarHBondContact O-N 2.94Å; I27-Y30 WeakPolarHBondContact O-CB 3.44Å; I27-Y30 PolarHBondContact O-N 3.49Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 2.99Å; Y30-A33 PolarHBondContact O-N 2.88Å; Y30-Y34 WeakPolarHBondContact O-CB 3.31Å; Y30-Y34 PolarHBondContact O-N 3.23Å |
| 31 | V | 91.4 | Very high | 87.3 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | I27 L28 A33 Y34 V35 | I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 WeakPolarHBondContact O-CG2 3.35Å; I27-V31 PolarHBondContact O-N 3.26Å; L28-V31 PolarHBondContact O-N 3.47Å; V31-A33 PolarHBondContact O-N 3.44Å; V31-Y34 PolarHBondContact O-N 3.07Å; V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 3.49Å |
| 32 | G | 89.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 C29 V35 F36 | L28-G32 PolarHBondContact O-N 3.31Å; C29-G32 PolarHBondContact O-N 3.33Å; G32-V35 PolarHBondContact O-N 3.36Å; G32-F36 WeakPolarHBondContact O-CB 3.39Å; G32-F36 PolarHBondContact O-N 3.04Å |
| 33 | A | 89.9 | Confident | 84.3 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C29 Y30 V31 F36 I37 | C29-A33 VanDerWaalsContact O-CB 3.29Å; C29-A33 WeakPolarHBondContact O-CB 3.4Å; C29-A33 PolarHBondContact O-N 2.91Å; Y30-A33 PolarHBondContact O-N 2.88Å; V31-A33 PolarHBondContact O-N 3.44Å; A33-F36 PolarHBondContact O-N 3.39Å; A33-I37 VanDerWaalsContact O-CG1 3.3Å; A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 3.45Å |
| 34 | Y | 90.4 | Very high | 82.4 | Confident | 146 Ų | 146 | 80.5 Ų | 80.5 | 57% | 0.573 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.5 | -45.9 | 175.6 | 177.6 | -99.3 | 0 | 0 | 0 | 111.6 | Y30 V31 T38 | Y30-Y34 WeakPolarHBondContact O-CB 3.31Å; Y30-Y34 PolarHBondContact O-N 3.23Å; V31-Y34 PolarHBondContact O-N 3.07Å; Y34-T38 VanDerWaalsContact O-CB 3.29Å; Y34-T38 WeakPolarHBondContact O-CB 3.12Å; Y34-T38 PolarHBondContact O-N 3.28Å; Y34-T38 PolarHBondContact O-OG1 3.05Å |
| 35 | V | 86.1 | Confident | 80.5 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 32% | 0.321 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | V31 G32 I37 T38 Y39 A55 | V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 3.49Å; G32-V35 PolarHBondContact O-N 3.36Å; V35-I37 PolarHBondContact O-N 2.91Å; V35-T38 PolarHBondContact O-N 3.38Å; V35-Y39 HydrophobicContact CG1-CD2 3.73Å; V35-Y39 HydrophobicContact CG1-CE2 3.91Å; V35-Y39 WeakPolarHBondContact O-CD2 3.38Å; V35-Y39 PolarHBondContact O-N 2.85Å; V35-A55 HydrophobicContact CB-CB 4.43Å; V35-A55 HydrophobicContact CG1-CB 3.93Å |
| 36 | F | 85.5 | Confident | 78.7 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.4 | -51.8 | -179.6 | -175.3 | -88.9 | 0 | 0 | 0 | 111.8 | G32 A33 T38 Y39 D40 L52 A55 V56 I59 | G32-F36 WeakPolarHBondContact O-CB 3.39Å; G32-F36 PolarHBondContact O-N 3.04Å; A33-F36 PolarHBondContact O-N 3.39Å; F36-T38 PolarHBondContact O-N 2.97Å; F36-Y39 PolarHBondContact O-N 3.43Å; F36-D40 HydrophobicContact CE1-CB 4.47Å; F36-D40 VanDerWaalsContact O-CB 3.27Å; F36-D40 WeakPolarHBondContact O-CB 3.18Å; F36-D40 PolarHBondContact O-N 3.47Å; F36-L52 HydrophobicContact CD2-CD2 4.42Å; F36-A55 HydrophobicContact CB-CB 4.44Å; F36-V56 HydrophobicContact CD2-CG2 3.91Å; F36-V56 HydrophobicContact CE2-CG2 3.74Å; F36-I59 HydrophobicContact CB-CD1 3.91Å; F36-I59 HydrophobicContact CG-CD1 4.31Å |
| 37 | I | 85.1 | Confident | 76.7 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 179.2 | -65.7 | 164.8 | 0 | 0 | 0 | 111.1 | A33 V35 Y39 D40 D41 | A33-I37 VanDerWaalsContact O-CG1 3.3Å; A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 3.45Å; V35-I37 PolarHBondContact O-N 2.91Å; I37-Y39 VanDerWaalsContact C-N 3.28Å; I37-Y39 PolarHBondContact O-N 2.85Å; I37-D40 PolarHBondContact O-N 3.42Å; I37-D41 PolarHBondContact O-N 2.79Å; I37-D41 VanDerWaalsContact O-N 3.07Å |
| 38 | T | 82.5 | Confident | 75 | Confident | 42 Ų | 42 | 93.8 Ų | 93.8 | 26% | 0.258 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | Y34 V35 F36 Y42 | Y34-T38 VanDerWaalsContact O-CB 3.29Å; Y34-T38 WeakPolarHBondContact O-CB 3.12Å; Y34-T38 PolarHBondContact O-N 3.28Å; Y34-T38 PolarHBondContact O-OG1 3.05Å; V35-T38 PolarHBondContact O-N 3.38Å; F36-T38 PolarHBondContact O-N 2.97Å; T38-Y42 HydrophobicContact CG2-CE2 3.91Å; T38-Y42 WeakPolarHBondContact O-CD2 3.42Å; T38-Y42 WeakPolarHBondContact O-CE2 3.41Å |
| 39 | Y | 74.6 | Confident | 73.6 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78.4 | -35.7 | 179.9 | -84.5 | -95.2 | 0 | 0 | 0 | 113.5 | V35 F36 I37 D41 Y42 D43 L52 | V35-Y39 HydrophobicContact CG1-CD2 3.73Å; V35-Y39 HydrophobicContact CG1-CE2 3.91Å; V35-Y39 WeakPolarHBondContact O-CD2 3.38Å; V35-Y39 PolarHBondContact O-N 2.85Å; F36-Y39 PolarHBondContact O-N 3.43Å; I37-Y39 VanDerWaalsContact C-N 3.28Å; I37-Y39 PolarHBondContact O-N 2.85Å; Y39-D41 VanDerWaalsContact C-N 3.3Å; Y39-D41 PolarHBondContact O-N 3.31Å; Y39-Y42 CarbonylContact O-C 3.54Å; Y39-Y42 WeakPolarHBondContact O-CA 3.32Å; Y39-Y42 WeakPolarHBondContact O-CB 3.24Å; Y39-Y42 PolarHBondContact O-N 3.08Å; Y39-D43 PolarHBondContact O-N 3.46Å; Y39-D43 VanDerWaalsContact O-N 3.14Å; Y39-L52 VanDerWaalsContact CB-CD2 3.49Å; Y39-L52 HydrophobicContact CG-CD2 4.43Å |
| 40 | D | 70.4 | Confident | 72.2 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | 175.3 | -167.3 | 61.5 | 0 | 0 | 0 | 111.5 | F36 I37 Y42 D43 | F36-D40 HydrophobicContact CE1-CB 4.47Å; F36-D40 VanDerWaalsContact O-CB 3.27Å; F36-D40 WeakPolarHBondContact O-CB 3.18Å; F36-D40 PolarHBondContact O-N 3.47Å; I37-D40 PolarHBondContact O-N 3.42Å; D40-Y42 PolarHBondContact O-N 3.24Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; D40-D43 WeakPolarHBondContact O-CB 3.33Å; D40-D43 PolarHBondContact O-N 3.41Å |
| 41 | D | 67.5 | Low | 71 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 70% | 0.695 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.2 | 171.7 | -84.5 | -12.9 | 0 | 0 | 0 | 112.9 | I37 Y39 | I37-D41 PolarHBondContact O-N 2.79Å; I37-D41 VanDerWaalsContact O-N 3.07Å; Y39-D41 VanDerWaalsContact C-N 3.3Å; Y39-D41 PolarHBondContact O-N 3.31Å |
| 42 | Y | 61.8 | Low | 70.3 | Confident | 131 Ų | 131 | 94.8 Ų | 94.8 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.4 | 174.1 | -59.8 | -70.2 | 0 | 0 | 0 | 113.6 | T38 Y39 D40 H44 F45 F46 | T38-Y42 HydrophobicContact CG2-CE2 3.91Å; T38-Y42 WeakPolarHBondContact O-CD2 3.42Å; T38-Y42 WeakPolarHBondContact O-CE2 3.41Å; Y39-Y42 CarbonylContact O-C 3.54Å; Y39-Y42 WeakPolarHBondContact O-CA 3.32Å; Y39-Y42 WeakPolarHBondContact O-CB 3.24Å; Y39-Y42 PolarHBondContact O-N 3.08Å; D40-Y42 PolarHBondContact O-N 3.24Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-H44 PolarHBondContact O-N 3.4Å; Y42-H44 VanDerWaalsContact O-N 3.14Å; Y42-F45 WeakPolarHBondContact O-CA 3.4Å; Y42-F45 WeakPolarHBondContact O-CB 3.24Å; Y42-F45 PolarHBondContact O-N 3.33Å; Y42-F46 HydrophobicContact CG-CE2 4.35Å; Y42-F46 WeakPolarHBondContact O-CD2 3.5Å; Y42-F46 PolarHBondContact O-N 2.92Å |
| 43 | D | 54.6 | Low | 69.9 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 35% | 0.348 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.7 | -179.6 | -105.6 | 14.9 | 0 | 0 | 0 | 112.3 | Y39 D40 F45 F46 | Y39-D43 PolarHBondContact O-N 3.46Å; Y39-D43 VanDerWaalsContact O-N 3.14Å; D40-D43 WeakPolarHBondContact O-CB 3.33Å; D40-D43 PolarHBondContact O-N 3.41Å; D43-F45 PolarHBondContact O-N 3.22Å; D43-F45 VanDerWaalsContact O-N 3.17Å; D43-F46 PolarHBondContact O-N 3.14Å |
| 44 | H | 53.8 | Low | 69.5 | Low | 197 Ų | 197 | 100.3 Ų | 100.3 | 91% | 0.912 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.4 | 168.5 | -101.5 | -20.7 | 0 | 0 | 0 | 114.2 | Y42 | Y42-H44 PolarHBondContact O-N 3.4Å; Y42-H44 VanDerWaalsContact O-N 3.14Å |
| 45 | F | 51.2 | Low | 69.3 | Low | 151 Ų | 151 | 93.6 Ų | 93.6 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -13.6 | 178.3 | -94 | -87.7 | 0 | 0 | 0 | 114.2 | Y42 D43 | Y42-F45 WeakPolarHBondContact O-CA 3.4Å; Y42-F45 WeakPolarHBondContact O-CB 3.24Å; Y42-F45 PolarHBondContact O-N 3.33Å; D43-F45 PolarHBondContact O-N 3.22Å; D43-F45 VanDerWaalsContact O-N 3.17Å |
| 46 | F | 54.2 | Low | 69.3 | Low | 41 Ų | 41 | 94.6 Ų | 94.6 | 18% | 0.18 | 47% | 0.466 | C | S | . | . | trans | -126.4 | 101.8 | -177.1 | -61.2 | -54.8 | 0 | 0 | 0 | 110.9 | Y42 D43 D48 A134 | Y42-F46 HydrophobicContact CG-CE2 4.35Å; Y42-F46 WeakPolarHBondContact O-CD2 3.5Å; Y42-F46 PolarHBondContact O-N 2.92Å; D43-F46 PolarHBondContact O-N 3.14Å; F46-D48 PolarHBondContact O-N 2.63Å; F46-A134 HydrophobicContact CD1-CB 4.29Å; F46-A134 HydrophobicContact CE1-CB 4.31Å | ||
| 47 | E | 52.9 | Low | 69.5 | Low | 196 Ų | 196 | 96 Ų | 96 | 92% | 0.916 | 48% | 0.475 | S | S | * | . | trans | -71.3 | -2.2 | 177.3 | -76.8 | -175.3 | 147.5 | 0 | 0 | 113.9 | V49 | E47-V49 PolarHBondContact O-N 3.4Š| ||
| 48 | D | 58.1 | Low | 69.7 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | trans | -99.7 | 95.6 | -173.1 | -76.2 | -45.3 | 0 | 0 | 0 | 112.9 | F46 Y50 T51 | F46-D48 PolarHBondContact O-N 2.63Å; D48-Y50 PolarHBondContact O-N 2.86Å; D48-T51 HydrophobicContact CB-CG2 4.31Å; D48-T51 PolarHBondContact O-N 3.4Å; D48-T51 PolarHBondContact O-OG1 2.94Å | ||
| 49 | V | 60.4 | Low | 70.1 | Confident | 112 Ų | 112 | 95.3 Ų | 95.3 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -45.7 | -25.9 | 167.2 | 178.3 | 0 | 0 | 0 | 0 | 112.6 | E47 T51 L52 | E47-V49 PolarHBondContact O-N 3.4Å; V49-T51 VanDerWaalsContact C-N 3.26Å; V49-T51 PolarHBondContact O-N 2.89Å; V49-L52 PolarHBondContact O-N 2.89Å |
| 50 | Y | 63.9 | Low | 70.9 | Confident | 178 Ų | 178 | 93 Ų | 93 | 70% | 0.698 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -64.9 | -25 | 179.7 | -60 | -76.8 | 0 | 0 | 0 | 114.2 | D48 I53 | D48-Y50 PolarHBondContact O-N 2.86Å; Y50-I53 HydrophobicContact CD1-CD1 3.78Å; Y50-I53 HydrophobicContact CG-CD1 4.48Å |
| 51 | T | 68.4 | Low | 71.9 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -72.7 | -27 | -179.3 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | D48 V49 P54 | D48-T51 HydrophobicContact CB-CG2 4.31Å; D48-T51 PolarHBondContact O-N 3.4Å; D48-T51 PolarHBondContact O-OG1 2.94Å; V49-T51 VanDerWaalsContact C-N 3.26Å; V49-T51 PolarHBondContact O-N 2.89Å; T51-P54 WeakPolarHBondContact O-CD 3.3Å |
| 52 | L | 75.3 | Confident | 73 | Confident | 19 Ų | 19 | 86.6 Ų | 86.6 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -17.2 | -179.7 | -68.6 | 174.2 | 0 | 0 | 0 | 113.6 | F36 Y39 V49 A55 V56 | F36-L52 HydrophobicContact CD2-CD2 4.42Å; Y39-L52 VanDerWaalsContact CB-CD2 3.49Å; Y39-L52 HydrophobicContact CG-CD2 4.43Å; V49-L52 PolarHBondContact O-N 2.89Å; L52-A55 PolarHBondContact O-N 3.4Å; L52-A55 VanDerWaalsContact O-N 3.11Å; L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.25Å; L52-V56 VanDerWaalsContact O-N 3.1Å |
| 53 | I | 80.7 | Confident | 74.5 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52.5 | -47.4 | -176.5 | -62.7 | 176.4 | 0 | 0 | 0 | 112.3 | Y50 A55 V56 I57 | Y50-I53 HydrophobicContact CD1-CD1 3.78Å; Y50-I53 HydrophobicContact CG-CD1 4.48Å; I53-A55 PolarHBondContact O-N 2.87Å; I53-V56 PolarHBondContact O-N 3.25Å; I53-I57 HydrophobicContact CG2-CD1 3.74Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.98Å; I53-I57 VanDerWaalsContact O-N 3.07Å |
| 54 | P | 82.6 | Confident | 76.2 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 179.6 | -23 | 35.2 | 0 | 0 | 0 | 113.2 | T51 I57 I58 | T51-P54 WeakPolarHBondContact O-CD 3.3Å; P54-I57 PolarHBondContact O-N 3.25Å; P54-I58 WeakPolarHBondContact O-CD1 3.38Å; P54-I58 VanDerWaalsContact O-CG1 3.25Å; P54-I58 WeakPolarHBondContact O-CG1 3.27Å; P54-I58 PolarHBondContact O-N 3.38Å |
| 55 | A | 85.3 | Confident | 78 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 5% | 0.05 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V35 F36 L52 I53 I57 I58 I59 | V35-A55 HydrophobicContact CB-CB 4.43Å; V35-A55 HydrophobicContact CG1-CB 3.93Å; F36-A55 HydrophobicContact CB-CB 4.44Å; L52-A55 PolarHBondContact O-N 3.4Å; L52-A55 VanDerWaalsContact O-N 3.11Å; I53-A55 PolarHBondContact O-N 2.87Å; A55-I57 PolarHBondContact O-N 2.88Å; A55-I58 PolarHBondContact O-N 3.16Å; A55-I59 WeakPolarHBondContact O-CG1 3.43Å; A55-I59 PolarHBondContact O-N 3.41Å |
| 56 | V | 87.4 | Confident | 79.9 | Confident | 73 Ų | 73 | 73 Ų | 73 | 44% | 0.442 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | F36 L52 I53 I59 A60 | F36-V56 HydrophobicContact CD2-CG2 3.91Å; F36-V56 HydrophobicContact CE2-CG2 3.74Å; L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.25Å; L52-V56 VanDerWaalsContact O-N 3.1Å; I53-V56 PolarHBondContact O-N 3.25Å; V56-I59 PolarHBondContact O-N 2.99Å; V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 3.42Å |
| 57 | I | 89.6 | Confident | 81.5 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.6 | -67.9 | 169.3 | 0 | 0 | 0 | 110.8 | I53 P54 A55 I59 A60 V61 | I53-I57 HydrophobicContact CG2-CD1 3.74Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.98Å; I53-I57 VanDerWaalsContact O-N 3.07Å; P54-I57 PolarHBondContact O-N 3.25Å; A55-I57 PolarHBondContact O-N 2.88Å; I57-I59 VanDerWaalsContact C-N 3.33Å; I57-I59 PolarHBondContact O-N 3.47Å; I57-A60 PolarHBondContact O-N 2.92Å; I57-V61 HydrophobicContact CG2-CG2 4.24Å; I57-V61 WeakPolarHBondContact O-CB 3.46Å; I57-V61 WeakPolarHBondContact O-CG2 3.46Å; I57-V61 PolarHBondContact O-N 2.65Å |
| 58 | I | 88.3 | Confident | 83.2 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 178.3 | -70.6 | 164.9 | 0 | 0 | 0 | 110.8 | P54 A55 G62 | P54-I58 WeakPolarHBondContact O-CD1 3.38Å; P54-I58 VanDerWaalsContact O-CG1 3.25Å; P54-I58 WeakPolarHBondContact O-CG1 3.27Å; P54-I58 PolarHBondContact O-N 3.38Å; A55-I58 PolarHBondContact O-N 3.16Å; I58-G62 PolarHBondContact O-N 3.01Å |
| 59 | I | 90.9 | Very high | 84.6 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 177.3 | -65.6 | 166 | 0 | 0 | 0 | 110.7 | F36 A55 V56 I57 G62 A63 | F36-I59 HydrophobicContact CB-CD1 3.91Å; F36-I59 HydrophobicContact CG-CD1 4.31Å; A55-I59 WeakPolarHBondContact O-CG1 3.43Å; A55-I59 PolarHBondContact O-N 3.41Å; V56-I59 PolarHBondContact O-N 2.99Å; I57-I59 VanDerWaalsContact C-N 3.33Å; I57-I59 PolarHBondContact O-N 3.47Å; I59-G62 PolarHBondContact O-N 3.02Å; I59-A63 WeakPolarHBondContact O-CB 3.42Å; I59-A63 PolarHBondContact O-N 2.88Å |
| 60 | A | 91.2 | Very high | 85.9 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V56 I57 A63 L64 | V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 3.42Å; I57-A60 PolarHBondContact O-N 2.92Å; A60-A63 PolarHBondContact O-N 3.29Å; A60-L64 PolarHBondContact O-N 3.44Å; A60-L64 VanDerWaalsContact O-N 3.07Å |
| 61 | V | 91.1 | Very high | 86.9 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I57 A63 L64 L65 | I57-V61 HydrophobicContact CG2-CG2 4.24Å; I57-V61 WeakPolarHBondContact O-CB 3.46Å; I57-V61 WeakPolarHBondContact O-CG2 3.46Å; I57-V61 PolarHBondContact O-N 2.65Å; V61-A63 VanDerWaalsContact C-N 3.35Å; V61-A63 PolarHBondContact O-N 3.34Å; V61-L64 PolarHBondContact O-N 2.94Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 HydrophobicContact CG1-CG 4.32Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 2.9Å |
| 62 | G | 92.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C29 I58 I59 L64 L65 F66 | C29-G62 VanDerWaalsContact SG-CA 3.59Å; I58-G62 PolarHBondContact O-N 3.01Å; I59-G62 PolarHBondContact O-N 3.02Å; G62-L64 PolarHBondContact O-N 3.47Å; G62-L65 PolarHBondContact O-N 2.79Å; G62-F66 WeakPolarHBondContact O-CB 3.4Å; G62-F66 PolarHBondContact O-N 3.13Å |
| 63 | A | 92.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C29 I59 A60 V61 F66 L67 | C29-A63 PolarHBondContact SG-N 3.2Å; I59-A63 WeakPolarHBondContact O-CB 3.42Å; I59-A63 PolarHBondContact O-N 2.88Å; A60-A63 PolarHBondContact O-N 3.29Å; V61-A63 VanDerWaalsContact C-N 3.35Å; V61-A63 PolarHBondContact O-N 3.34Å; A63-F66 PolarHBondContact O-N 3.43Å; A63-L67 WeakPolarHBondContact O-CG 3.3Å; A63-L67 PolarHBondContact O-N 3.49Å |
| 64 | L | 91.1 | Very high | 88.5 | Confident | 101 Ų | 101 | 54.1 Ų | 54.1 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 175 | -179.7 | 64.3 | 0 | 0 | 0 | 111.3 | A60 V61 G62 F66 L67 I68 | A60-L64 PolarHBondContact O-N 3.44Å; A60-L64 VanDerWaalsContact O-N 3.07Å; V61-L64 PolarHBondContact O-N 2.94Å; G62-L64 PolarHBondContact O-N 3.47Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.38Å; L64-L67 PolarHBondContact O-N 3.49Å; L64-I68 HydrophobicContact CD1-CD1 4.16Å; L64-I68 HydrophobicContact CG-CD1 3.92Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.01Å |
| 65 | L | 90.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 178.9 | -69.1 | 176.2 | 0 | 0 | 0 | 112.2 | A25 V61 G62 I68 G69 | A25-L65 HydrophobicContact CB-CB 3.79Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 HydrophobicContact CG1-CG 4.32Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 2.9Å; G62-L65 PolarHBondContact O-N 2.79Å; L65-I68 PolarHBondContact O-N 2.98Å; L65-G69 PolarHBondContact O-N 3.4Å |
| 66 | F | 90.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 51 Ų | 51 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.8 | -174.8 | -89.5 | 0 | 0 | 0 | 111.6 | W22 A25 G62 A63 L64 G69 L70 | W22-F66 AromaticContact CD1-CD2 3.68Å; W22-F66 AromaticContact CD1-CE2 3.8Å; W22-F66 HydrophobicContact CD2-CD2 4.44Å; W22-F66 HydrophobicContact CD2-CE2 4.05Å; W22-F66 AromaticContact CE2-CD2 3.89Å; W22-F66 AromaticContact CE2-CE2 3.19Å; W22-F66 AromaticContact CE2-CZ 3.46Å; W22-F66 VanDerWaalsContact CE2-CZ 3.46Å; W22-F66 HydrophobicContact CG-CD2 4.34Å; W22-F66 HydrophobicContact CG-CE2 4.38Å; W22-F66 HydrophobicContact CH2-CE2 4.34Å; W22-F66 HydrophobicContact CZ2-CD2 4.48Å; W22-F66 AromaticContact CZ2-CE2 3.39Å; W22-F66 HydrophobicContact CZ2-CE2 3.39Å; W22-F66 AromaticContact CZ2-CZ 3.43Å; W22-F66 HydrophobicContact CZ2-CZ 3.43Å; W22-F66 VanDerWaalsContact CZ2-CZ 3.43Å; W22-F66 AromaticContact NE1-CD1 3.9Å; W22-F66 AromaticContact NE1-CD2 3.37Å; W22-F66 AromaticContact NE1-CE1 3.57Å; W22-F66 AromaticContact NE1-CE2 3Å; W22-F66 AromaticContact NE1-CG 3.82Å; W22-F66 AromaticContact NE1-CZ 3.12Å; A25-F66 HydrophobicContact CB-CB 4.01Å; G62-F66 WeakPolarHBondContact O-CB 3.4Å; G62-F66 PolarHBondContact O-N 3.13Å; A63-F66 PolarHBondContact O-N 3.43Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.38Å; F66-G69 PolarHBondContact O-N 3.28Å; F66-L70 HydrophobicContact CD1-CD1 3.96Å; F66-L70 HydrophobicContact CD1-CG 4.42Å; F66-L70 HydrophobicContact CE1-CD1 3.59Å; F66-L70 HydrophobicContact CE1-CG 4.23Å; F66-L70 HydrophobicContact CZ-CD1 4.45Å; F66-L70 PolarHBondContact O-N 3.33Å |
| 67 | L | 89.6 | Confident | 88.4 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.1 | -68.8 | 173.9 | 0 | 0 | 0 | 111.8 | A63 L64 G69 L70 I71 | A63-L67 WeakPolarHBondContact O-CG 3.3Å; A63-L67 PolarHBondContact O-N 3.49Å; L64-L67 PolarHBondContact O-N 3.49Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.35Å; L67-L70 PolarHBondContact O-N 3.41Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.25Å; L67-I71 PolarHBondContact O-N 2.79Å |
| 68 | I | 88.4 | Confident | 88 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.3 | -66.6 | 169.5 | 0 | 0 | 0 | 110.7 | L64 L65 L70 I71 G72 F87 I90 V94 | L64-I68 HydrophobicContact CD1-CD1 4.16Å; L64-I68 HydrophobicContact CG-CD1 3.92Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.01Å; L65-I68 PolarHBondContact O-N 2.98Å; I68-L70 PolarHBondContact O-N 3.47Å; I68-I71 PolarHBondContact O-N 3.13Å; I68-G72 PolarHBondContact O-N 3.47Å; I68-F87 HydrophobicContact CG2-CE2 4.27Å; I68-I90 HydrophobicContact CD1-CG2 3.71Å; I68-I90 HydrophobicContact CG1-CG2 3.85Å; I68-I90 HydrophobicContact CG2-CG2 3.89Å; I68-V94 HydrophobicContact CD1-CG2 4.45Å |
| 69 | G | 87.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L65 F66 L67 G72 C73 | L65-G69 PolarHBondContact O-N 3.4Å; F66-G69 PolarHBondContact O-N 3.28Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.35Å; G69-G72 PolarHBondContact O-N 3.27Å; G69-C73 WeakPolarHBondContact O-CB 3.4Å; G69-C73 PolarHBondContact O-N 3.45Å |
| 70 | L | 86.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 174 | -74.5 | 178.8 | 0 | 0 | 0 | 111.8 | W22 F66 L67 I68 G72 C73 C74 | W22-L70 VanDerWaalsContact NE1-CD2 3.29Å; F66-L70 HydrophobicContact CD1-CD1 3.96Å; F66-L70 HydrophobicContact CD1-CG 4.42Å; F66-L70 HydrophobicContact CE1-CD1 3.59Å; F66-L70 HydrophobicContact CE1-CG 4.23Å; F66-L70 HydrophobicContact CZ-CD1 4.45Å; F66-L70 PolarHBondContact O-N 3.33Å; L67-L70 PolarHBondContact O-N 3.41Å; I68-L70 PolarHBondContact O-N 3.47Å; L70-G72 VanDerWaalsContact C-N 3.33Å; L70-G72 PolarHBondContact O-N 2.94Å; L70-C73 PolarHBondContact O-N 2.94Å; L70-C74 WeakPolarHBondContact O-CB 3.41Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 3.21Å; L70-C74 VanDerWaalsContact O-SG 3.4Å |
| 71 | I | 85.9 | Confident | 86.4 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 40% | 0.395 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.9 | -66.8 | 166 | 0 | 0 | 0 | 110.1 | L67 I68 C74 A75 | L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.25Å; L67-I71 PolarHBondContact O-N 2.79Å; I68-I71 PolarHBondContact O-N 3.13Å; I71-C74 PolarHBondContact O-N 2.92Å; I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3.07Å |
| 72 | G | 86.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I68 G69 L70 T76 F87 | I68-G72 PolarHBondContact O-N 3.47Å; G69-G72 PolarHBondContact O-N 3.27Å; L70-G72 VanDerWaalsContact C-N 3.33Å; L70-G72 PolarHBondContact O-N 2.94Å; G72-T76 WeakPolarHBondContact O-CB 3.4Å; G72-T76 PolarHBondContact O-N 3.47Å; G72-T76 VanDerWaalsContact O-N 3.08Å; G72-T76 PolarHBondContact O-OG1 2.86Å; G72-F87 VanDerWaalsContact CA-CD2 3.44Å |
| 73 | C | 85.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 59 Ų | 59 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -51 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | G69 L70 A75 T76 V77 | G69-C73 WeakPolarHBondContact O-CB 3.4Å; G69-C73 PolarHBondContact O-N 3.45Å; L70-C73 PolarHBondContact O-N 2.94Å; C73-A75 PolarHBondContact O-N 3.3Å; C73-T76 PolarHBondContact O-N 3.44Å; C73-V77 WeakPolarHBondContact O-CB 3.42Å; C73-V77 WeakPolarHBondContact O-CG2 3.4Å; C73-V77 PolarHBondContact O-N 2.91Å |
| 74 | C | 85.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 178.1 | -72.4 | 0 | 0 | 0 | 0 | 112.6 | L70 I71 T76 R78 | L70-C74 WeakPolarHBondContact O-CB 3.41Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 3.21Å; L70-C74 VanDerWaalsContact O-SG 3.4Å; I71-C74 PolarHBondContact O-N 2.92Å; C74-T76 VanDerWaalsContact C-N 3.31Å; C74-T76 PolarHBondContact O-N 3.25Å; C74-R78 WeakPolarHBondContact O-CB 3.36Å; C74-R78 WeakPolarHBondContact O-CG 3.34Å; C74-R78 PolarHBondContact O-N 3.32Å |
| 75 | A | 85.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I71 C73 E79 S80 G83 | I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3.07Å; C73-A75 PolarHBondContact O-N 3.3Å; A75-E79 PolarHBondContact O-N 3.36Å; A75-S80 PolarHBondContact O-N 3.26Å; A75-S80 VanDerWaalsContact O-N 3.15Å; A75-G83 VanDerWaalsContact CB-C 3.45Å |
| 76 | T | 83.8 | Confident | 85.2 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73 | -45 | -179.8 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | K11 L14 V15 G72 C73 C74 E79 | K11-T76 HydrophobicContact CB-CG2 4.43Å; L14-T76 HydrophobicContact CB-CG2 4.39Å; L14-T76 HydrophobicContact CD2-CG2 4.07Å; L14-T76 WeakPolarHBondContact CD2-OG1 3.31Å; V15-T76 HydrophobicContact CG2-CG2 3.6Å; G72-T76 WeakPolarHBondContact O-CB 3.4Å; G72-T76 PolarHBondContact O-N 3.47Å; G72-T76 VanDerWaalsContact O-N 3.08Å; G72-T76 PolarHBondContact O-OG1 2.86Å; C73-T76 PolarHBondContact O-N 3.44Å; C74-T76 VanDerWaalsContact C-N 3.31Å; C74-T76 PolarHBondContact O-N 3.25Å; T76-E79 PolarHBondContact O-N 3.38Å |
| 77 | V | 82.6 | Confident | 85.1 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71.4 | -44.1 | -178.5 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | V15 C73 E79 | V15-V77 HydrophobicContact CG2-CG2 4.41Å; C73-V77 WeakPolarHBondContact O-CB 3.42Å; C73-V77 WeakPolarHBondContact O-CG2 3.4Å; C73-V77 PolarHBondContact O-N 2.91Å; V77-E79 PolarHBondContact O-N 2.99Å |
| 78 | R | 81.4 | Confident | 85.2 | Confident | 201 Ų | 201 | 49.5 Ų | 49.5 | 76% | 0.758 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.6 | 178.2 | -66.7 | -177.1 | 174.7 | -179.5 | -0.6 | 112.8 | C74 S80 | C74-R78 WeakPolarHBondContact O-CB 3.36Å; C74-R78 WeakPolarHBondContact O-CG 3.34Å; C74-R78 PolarHBondContact O-N 3.32Å; R78-S80 PolarHBondContact O-N 2.95Å |
| 79 | E | 77.2 | Confident | 85.4 | Confident | 90 Ų | 90 | 52 Ų | 52 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 55.2 | -172.4 | -51.9 | -164.6 | 177.7 | 0 | 0 | 109.4 | K11 A75 T76 V77 R236 | K11-E79 IonicContact NZ-OE1 2.63Å; K11-E79 PolarHBondContact NZ-OE1 2.89Å; K11-E79 IonicContact NZ-OE2 3.14Å; K11-E79 PolarHBondContact NZ-OE2 3.37Å; K11-E79 VanDerWaalsContact NZ-OE2 3.14Å; A75-E79 PolarHBondContact O-N 3.36Å; T76-E79 PolarHBondContact O-N 3.38Å; V77-E79 PolarHBondContact O-N 2.99Å; E79-R236 PolarHBondContact O-NH1 2.98Å; E79-R236 PolarHBondContact O-NH2 3.4Å |
| 80 | S | 79.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | trans | -92.1 | 122.8 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | A75 R78 G83 L84 | A75-S80 PolarHBondContact O-N 3.26Å; A75-S80 VanDerWaalsContact O-N 3.15Å; R78-S80 PolarHBondContact O-N 2.95Å; S80-G83 PolarHBondContact O-N 3.37Å; S80-G83 PolarHBondContact OG-N 2.94Å; S80-L84 WeakPolarHBondContact O-CB 3.29Å; S80-L84 PolarHBondContact O-N 3.05Å | ||
| 81 | H | 80.4 | Confident | 85.8 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -52.9 | 177.1 | -175.7 | -83.2 | 0 | 0 | 0 | 110.7 | G83 L84 T85 Y242 | H81-G83 VanDerWaalsContact C-N 3.29Å; H81-G83 PolarHBondContact O-N 3.49Å; H81-L84 PolarHBondContact O-N 3.31Å; H81-T85 PolarHBondContact O-N 3.4Å; H81-T85 PolarHBondContact O-OG1 3.43Å; H81-T85 VanDerWaalsContact O-OG1 3.05Å; H81-Y242 HydrophobicContact CB-CE2 4.35Å; H81-Y242 AromaticContact CD2-CZ 3.73Å; H81-Y242 PolarHBondContact CD2-OH 3.2Å; H81-Y242 VanDerWaalsContact CD2-OH 3.26Å; H81-Y242 PolarHBondContact CE1-OH 2.82Å; H81-Y242 VanDerWaalsContact CE1-OH 3.27Å; H81-Y242 PolarHBondContact ND1-OH 3Å; H81-Y242 AromaticContact NE2-CZ 3.96Å; H81-Y242 PolarHBondContact NE2-OH 2.75Å |
| 82 | C | 83.9 | Confident | 86.1 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.7 | -42.1 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | L84 T85 T86 | C82-L84 PolarHBondContact O-N 2.9Å; C82-T85 PolarHBondContact O-N 2.96Å; C82-T86 WeakPolarHBondContact O-CB 3.49Å; C82-T86 PolarHBondContact O-N 3.26Å; C82-T86 PolarHBondContact O-OG1 3.09Å |
| 83 | G | 84.9 | Confident | 86.5 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A75 S80 H81 T86 F87 | A75-G83 VanDerWaalsContact CB-C 3.45Å; S80-G83 PolarHBondContact O-N 3.37Å; S80-G83 PolarHBondContact OG-N 2.94Å; H81-G83 VanDerWaalsContact C-N 3.29Å; H81-G83 PolarHBondContact O-N 3.49Å; G83-T86 PolarHBondContact O-N 2.95Å; G83-F87 WeakPolarHBondContact O-CB 3.49Å; G83-F87 PolarHBondContact O-N 3.06Å |
| 84 | L | 85.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.1 | -35.8 | -179.1 | -172.3 | 62 | 0 | 0 | 0 | 111.8 | L14 S80 H81 C82 F87 V88 A229 V232 L233 | L14-L84 HydrophobicContact CD2-CD1 3.96Å; S80-L84 WeakPolarHBondContact O-CB 3.29Å; S80-L84 PolarHBondContact O-N 3.05Å; H81-L84 PolarHBondContact O-N 3.31Å; C82-L84 PolarHBondContact O-N 2.9Å; L84-F87 HydrophobicContact CD1-CD1 4.42Å; L84-F87 PolarHBondContact O-N 2.82Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.47Å; L84-A229 HydrophobicContact CD1-CB 3.76Å; L84-A229 HydrophobicContact CG-CB 4.31Å; L84-V232 HydrophobicContact CD2-CB 3.96Å; L84-V232 HydrophobicContact CD2-CG1 3.6Å; L84-L233 HydrophobicContact CB-CD2 3.93Å; L84-L233 HydrophobicContact CB-CG 4.37Å; L84-L233 HydrophobicContact CD2-CD1 4.48Å; L84-L233 HydrophobicContact CD2-CD2 3.74Å; L84-L233 HydrophobicContact CD2-CG 3.61Å; L84-L233 HydrophobicContact CG-CD1 4.17Å; L84-L233 HydrophobicContact CG-CD2 3.91Å; L84-L233 HydrophobicContact CG-CG 3.81Å |
| 85 | T | 87.8 | Confident | 87.3 | Confident | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 170.7 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | H81 C82 F87 V88 V89 | H81-T85 PolarHBondContact O-N 3.4Å; H81-T85 PolarHBondContact O-OG1 3.43Å; H81-T85 VanDerWaalsContact O-OG1 3.05Å; C82-T85 PolarHBondContact O-N 2.96Å; T85-F87 VanDerWaalsContact C-N 3.29Å; T85-F87 PolarHBondContact O-N 3Å; T85-V88 PolarHBondContact O-N 3.19Å; T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 2.88Å |
| 86 | T | 89.3 | Confident | 87.8 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | C82 G83 V88 V89 I90 | C82-T86 WeakPolarHBondContact O-CB 3.49Å; C82-T86 PolarHBondContact O-N 3.26Å; C82-T86 PolarHBondContact O-OG1 3.09Å; G83-T86 PolarHBondContact O-N 2.95Å; T86-V88 PolarHBondContact O-N 3.45Å; T86-V89 PolarHBondContact O-N 2.94Å; T86-I90 HydrophobicContact CG2-CD1 3.88Å; T86-I90 HydrophobicContact CG2-CG1 4.41Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.44Å |
| 87 | F | 89.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 175.6 | -179 | -108.4 | 0 | 0 | 0 | 112.4 | L14 N18 I68 G72 G83 L84 T85 V89 I90 L91 | L14-F87 HydrophobicContact CD1-CE1 4.05Å; N18-F87 VanDerWaalsContact OD1-CE2 3.3Å; N18-F87 WeakPolarHBondContact OD1-CE2 3.21Å; N18-F87 VanDerWaalsContact OD1-CZ 3.25Å; N18-F87 WeakPolarHBondContact OD1-CZ 3.48Å; I68-F87 HydrophobicContact CG2-CE2 4.27Å; G72-F87 VanDerWaalsContact CA-CD2 3.44Å; G83-F87 WeakPolarHBondContact O-CB 3.49Å; G83-F87 PolarHBondContact O-N 3.06Å; L84-F87 HydrophobicContact CD1-CD1 4.42Å; L84-F87 PolarHBondContact O-N 2.82Å; T85-F87 VanDerWaalsContact C-N 3.29Å; T85-F87 PolarHBondContact O-N 3Å; F87-V89 PolarHBondContact O-N 2.81Å; F87-I90 PolarHBondContact O-N 3.44Å; F87-L91 HydrophobicContact CD1-CD1 4.07Å; F87-L91 HydrophobicContact CD1-CG 4.45Å; F87-L91 HydrophobicContact CE1-CD1 3.43Å; F87-L91 VanDerWaalsContact CE1-CD1 3.43Å; F87-L91 HydrophobicContact CE1-CG 4.06Å; F87-L91 HydrophobicContact CE2-CD1 4.43Å; F87-L91 HydrophobicContact CE2-CD2 4.27Å; F87-L91 HydrophobicContact CE2-CG 4.26Å; F87-L91 HydrophobicContact CZ-CD1 3.66Å; F87-L91 HydrophobicContact CZ-CD2 4.09Å; F87-L91 HydrophobicContact CZ-CG 3.97Å; F87-L91 WeakPolarHBondContact O-CG 3.41Å; F87-L91 PolarHBondContact O-N 2.91Å |
| 88 | V | 90.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L84 T85 T86 L91 L92 A229 L233 | L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.47Å; T85-V88 PolarHBondContact O-N 3.19Å; T86-V88 PolarHBondContact O-N 3.45Å; V88-L91 PolarHBondContact O-N 3.02Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 PolarHBondContact O-N 3.34Å; V88-A229 HydrophobicContact CG2-CB 3.45Å; V88-A229 VanDerWaalsContact CG2-CB 3.45Å; V88-L233 HydrophobicContact CG2-CD1 4.21Å |
| 89 | V | 92.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | T85 T86 F87 L92 L93 | T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 2.88Å; T86-V89 PolarHBondContact O-N 2.94Å; F87-V89 PolarHBondContact O-N 2.81Å; V89-L92 WeakPolarHBondContact O-CB 3.37Å; V89-L92 PolarHBondContact O-N 3.03Å; V89-L93 HydrophobicContact CG1-CD1 4.32Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 2.9Å |
| 90 | I | 91.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 54 Ų | 54 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 176.1 | -70 | 168.5 | 0 | 0 | 0 | 110.6 | I68 T86 F87 L92 L93 V94 | I68-I90 HydrophobicContact CD1-CG2 3.71Å; I68-I90 HydrophobicContact CG1-CG2 3.85Å; I68-I90 HydrophobicContact CG2-CG2 3.89Å; T86-I90 HydrophobicContact CG2-CD1 3.88Å; T86-I90 HydrophobicContact CG2-CG1 4.41Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.44Å; F87-I90 PolarHBondContact O-N 3.44Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.35Å; I90-L93 PolarHBondContact O-N 3.15Å; I90-V94 WeakPolarHBondContact O-CG2 3.5Å; I90-V94 PolarHBondContact O-N 2.88Å |
| 91 | L | 90.9 | Very high | 90.8 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 176.1 | -69.5 | -173.8 | 0 | 0 | 0 | 111.4 | F87 V88 V94 F95 Q222 M226 | F87-L91 HydrophobicContact CD1-CD1 4.07Å; F87-L91 HydrophobicContact CD1-CG 4.45Å; F87-L91 HydrophobicContact CE1-CD1 3.43Å; F87-L91 VanDerWaalsContact CE1-CD1 3.43Å; F87-L91 HydrophobicContact CE1-CG 4.06Å; F87-L91 HydrophobicContact CE2-CD1 4.43Å; F87-L91 HydrophobicContact CE2-CD2 4.27Å; F87-L91 HydrophobicContact CE2-CG 4.26Å; F87-L91 HydrophobicContact CZ-CD1 3.66Å; F87-L91 HydrophobicContact CZ-CD2 4.09Å; F87-L91 HydrophobicContact CZ-CG 3.97Å; F87-L91 WeakPolarHBondContact O-CG 3.41Å; F87-L91 PolarHBondContact O-N 2.91Å; V88-L91 PolarHBondContact O-N 3.02Å; L91-V94 PolarHBondContact O-N 3.06Å; L91-F95 WeakPolarHBondContact O-CB 3.43Å; L91-F95 PolarHBondContact O-N 3.36Å; L91-Q222 HydrophobicContact CB-CG 4.24Å; L91-Q222 HydrophobicContact CD2-CG 4.31Å; L91-Q222 PolarHBondContact O-NE2 2.84Å; L91-M226 HydrophobicContact CB-CG 3.7Å; L91-M226 HydrophobicContact CB-SD 4.09Å; L91-M226 HydrophobicContact CD1-CG 3.85Å; L91-M226 HydrophobicContact CG-CG 4.47Å |
| 92 | L | 94.1 | Very high | 91.3 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -44 | 176.1 | -175.8 | 66.2 | 0 | 0 | 0 | 112 | V88 V89 I90 V94 F95 M96 M226 | V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 PolarHBondContact O-N 3.34Å; V89-L92 WeakPolarHBondContact O-CB 3.37Å; V89-L92 PolarHBondContact O-N 3.03Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.35Å; L92-V94 PolarHBondContact O-N 3.34Å; L92-F95 PolarHBondContact O-N 3.3Å; L92-M96 WeakPolarHBondContact O-CG 3.28Å; L92-M96 PolarHBondContact O-N 3.47Å; L92-M226 HydrophobicContact CB-SD 4.39Å |
| 93 | L | 94.4 | Very high | 91.7 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 178.8 | -69.6 | 174.3 | 0 | 0 | 0 | 112.3 | V89 I90 M96 T97 | V89-L93 HydrophobicContact CG1-CD1 4.32Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 2.9Å; I90-L93 PolarHBondContact O-N 3.15Å; L93-M96 PolarHBondContact O-N 3.38Å; L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 PolarHBondContact O-OG1 3.49Å |
| 94 | V | 92.9 | Very high | 92 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | I68 I90 L91 L92 M96 T97 E98 F218 Q222 | I68-V94 HydrophobicContact CD1-CG2 4.45Å; I90-V94 WeakPolarHBondContact O-CG2 3.5Å; I90-V94 PolarHBondContact O-N 2.88Å; L91-V94 PolarHBondContact O-N 3.06Å; L92-V94 PolarHBondContact O-N 3.34Å; V94-M96 PolarHBondContact O-N 3.03Å; V94-T97 WeakPolarHBondContact O-CB 3.29Å; V94-T97 PolarHBondContact O-N 3.31Å; V94-T97 VanDerWaalsContact O-N 3.16Å; V94-E98 PolarHBondContact O-N 3.24Å; V94-F218 HydrophobicContact CG1-CE1 4.01Å; V94-F218 HydrophobicContact CG1-CZ 4.33Å; V94-Q222 VanDerWaalsContact CB-NE2 3.26Å; V94-Q222 VanDerWaalsContact CG1-NE2 3.3Å |
| 95 | F | 94.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 177.4 | 179.2 | -101.1 | 0 | 0 | 0 | 111.8 | L91 L92 T97 E98 V99 A219 M223 | L91-F95 WeakPolarHBondContact O-CB 3.43Å; L91-F95 PolarHBondContact O-N 3.36Å; L92-F95 PolarHBondContact O-N 3.3Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 PolarHBondContact O-N 3.49Å; F95-E98 WeakPolarHBondContact O-CB 3.47Å; F95-E98 PolarHBondContact O-N 3.47Å; F95-V99 HydrophobicContact CD1-CG2 4.41Å; F95-V99 HydrophobicContact CE1-CG2 4.01Å; F95-V99 HydrophobicContact CE2-CG2 4.42Å; F95-V99 HydrophobicContact CZ-CG2 4.02Å; F95-V99 WeakPolarHBondContact O-CG2 3.33Å; F95-V99 PolarHBondContact O-N 3.49Å; F95-A219 HydrophobicContact CD2-CB 4.42Å; F95-A219 HydrophobicContact CE2-CB 4.08Å; F95-M223 HydrophobicContact CE2-CG 4.43Å; F95-M223 HydrophobicContact CE2-SD 4.42Å |
| 96 | M | 96 | Very high | 92.1 | Very high | 116 Ų | 116 | 66.1 Ų | 66.1 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | 175.1 | -68.2 | -60.3 | -64.8 | 0 | 0 | 112.1 | L92 L93 V94 A100 | L92-M96 WeakPolarHBondContact O-CG 3.28Å; L92-M96 PolarHBondContact O-N 3.47Å; L93-M96 PolarHBondContact O-N 3.38Å; V94-M96 PolarHBondContact O-N 3.03Å; M96-A100 WeakPolarHBondContact O-CB 3.48Å; M96-A100 PolarHBondContact O-N 2.95Å |
| 97 | T | 93.7 | Very high | 92.2 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L93 V94 F95 A100 V101 | L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 PolarHBondContact O-OG1 3.49Å; V94-T97 WeakPolarHBondContact O-CB 3.29Å; V94-T97 PolarHBondContact O-N 3.31Å; V94-T97 VanDerWaalsContact O-N 3.16Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 PolarHBondContact O-N 3.49Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-V101 HydrophobicContact CG2-CG2 4.45Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.32Å |
| 98 | E | 92.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 73.4 Ų | 73.4 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176 | -178.2 | 177.6 | -166.7 | 0 | 0 | 111.6 | V94 F95 A100 V101 V102 A215 F218 Q222 | V94-E98 PolarHBondContact O-N 3.24Å; F95-E98 WeakPolarHBondContact O-CB 3.47Å; F95-E98 PolarHBondContact O-N 3.47Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.47Å; E98-V101 PolarHBondContact O-N 3.41Å; E98-V102 WeakPolarHBondContact O-CG2 3.11Å; E98-V102 PolarHBondContact O-N 3.4Å; E98-A215 VanDerWaalsContact OE1-C 3.23Å; E98-A215 VanDerWaalsContact OE1-CA 3.28Å; E98-A215 WeakPolarHBondContact OE1-CA 3.48Å; E98-A215 WeakPolarHBondContact OE1-CB 3.42Å; E98-F218 WeakPolarHBondContact OE2-CD1 3.47Å; E98-Q222 PolarHBondContact OE2-OE1 3.01Å |
| 99 | V | 94.1 | Very high | 92 | Very high | 66 Ų | 66 | 78.1 Ų | 78.1 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | F95 V102 V103 | F95-V99 HydrophobicContact CD1-CG2 4.41Å; F95-V99 HydrophobicContact CE1-CG2 4.01Å; F95-V99 HydrophobicContact CE2-CG2 4.42Å; F95-V99 HydrophobicContact CZ-CG2 4.02Å; F95-V99 WeakPolarHBondContact O-CG2 3.33Å; F95-V99 PolarHBondContact O-N 3.49Å; V99-V102 PolarHBondContact O-N 3.33Å; V99-V103 HydrophobicContact CG1-CG2 4.27Å; V99-V103 WeakPolarHBondContact O-CB 3.31Å; V99-V103 VanDerWaalsContact O-CG2 3.24Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.99Å |
| 100 | A | 95.1 | Very high | 91.7 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | M96 T97 E98 V103 L104 | M96-A100 WeakPolarHBondContact O-CB 3.48Å; M96-A100 PolarHBondContact O-N 2.95Å; T97-A100 PolarHBondContact O-N 2.98Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.47Å; A100-V103 PolarHBondContact O-N 2.91Å; A100-L104 VanDerWaalsContact O-CB 3.32Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 WeakPolarHBondContact O-CG 3.34Å; A100-L104 PolarHBondContact O-N 3.07Å |
| 101 | V | 91.9 | Very high | 91.5 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 58% | 0.576 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | T97 E98 G105 | T97-V101 HydrophobicContact CG2-CG2 4.45Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.32Å; E98-V101 PolarHBondContact O-N 3.41Å; V101-G105 PolarHBondContact O-N 3.38Å |
| 102 | V | 90.7 | Very high | 91.2 | Very high | 71 Ų | 71 | 85.1 Ų | 85.1 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | E98 V99 G105 Y106 A215 | E98-V102 WeakPolarHBondContact O-CG2 3.11Å; E98-V102 PolarHBondContact O-N 3.4Å; V99-V102 PolarHBondContact O-N 3.33Å; V102-G105 PolarHBondContact O-N 3.11Å; V102-Y106 WeakPolarHBondContact O-CB 3.35Å; V102-Y106 PolarHBondContact O-N 3.01Å; V102-A215 HydrophobicContact CG2-CB 4.39Å |
| 103 | V | 92.3 | Very high | 90.7 | Very high | 78 Ų | 78 | 84.1 Ų | 84.1 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | V99 A100 G105 Y106 V107 | V99-V103 HydrophobicContact CG1-CG2 4.27Å; V99-V103 WeakPolarHBondContact O-CB 3.31Å; V99-V103 VanDerWaalsContact O-CG2 3.24Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.99Å; A100-V103 PolarHBondContact O-N 2.91Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-G105 PolarHBondContact O-N 3.1Å; V103-Y106 PolarHBondContact O-N 3.46Å; V103-V107 HydrophobicContact CG1-CG2 4.34Å; V103-V107 WeakPolarHBondContact O-CB 3.25Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.35Å; V103-V107 PolarHBondContact O-N 3.01Å |
| 104 | L | 91.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 83.9 Ų | 83.9 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 178.1 | -68.1 | 170.5 | 0 | 0 | 0 | 111 | A100 Y106 V107 Y108 | A100-L104 VanDerWaalsContact O-CB 3.32Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 WeakPolarHBondContact O-CG 3.34Å; A100-L104 PolarHBondContact O-N 3.07Å; L104-Y106 VanDerWaalsContact C-N 3.32Å; L104-Y106 PolarHBondContact O-N 3.4Å; L104-V107 PolarHBondContact O-N 3.43Å; L104-Y108 HydrophobicContact CB-CD2 4.32Å; L104-Y108 HydrophobicContact CD2-CD2 4.4Å; L104-Y108 HydrophobicContact CD2-CE2 3.86Å; L104-Y108 WeakPolarHBondContact O-CB 3.26Å; L104-Y108 VanDerWaalsContact O-CD2 3.24Å; L104-Y108 WeakPolarHBondContact O-CD2 3.32Å; L104-Y108 PolarHBondContact O-N 2.88Å |
| 105 | G | 88.3 | Confident | 90 | Very high | 43 Ų | 43 | 87.4 Ų | 87.4 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V101 V102 V103 R109 | V101-G105 PolarHBondContact O-N 3.38Å; V102-G105 PolarHBondContact O-N 3.11Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-G105 PolarHBondContact O-N 3.1Å; G105-R109 PolarHBondContact O-N 3.26Å; G105-R109 VanDerWaalsContact O-N 3.09Å |
| 106 | Y | 86.8 | Confident | 89.5 | Confident | 150 Ų | 150 | 86.3 Ų | 86.3 | 59% | 0.588 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68 | -44.9 | 175.7 | -176.2 | -95.4 | 0 | 0 | 0 | 112.6 | V102 V103 L104 R109 | V102-Y106 WeakPolarHBondContact O-CB 3.35Å; V102-Y106 PolarHBondContact O-N 3.01Å; V103-Y106 PolarHBondContact O-N 3.46Å; L104-Y106 VanDerWaalsContact C-N 3.32Å; L104-Y106 PolarHBondContact O-N 3.4Å; Y106-R109 WeakPolarHBondContact O-CB 3.5Å; Y106-R109 WeakPolarHBondContact O-CD 3.48Å; Y106-R109 WeakPolarHBondContact O-CG 3.32Å; Y106-R109 PolarHBondContact O-N 3.35Å |
| 107 | V | 91.5 | Very high | 89 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | -179.8 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | V103 L104 | V103-V107 HydrophobicContact CG1-CG2 4.34Å; V103-V107 WeakPolarHBondContact O-CB 3.25Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.35Å; V103-V107 PolarHBondContact O-N 3.01Å; L104-V107 PolarHBondContact O-N 3.43Å |
| 108 | Y | 89.6 | Confident | 88.7 | Confident | 127 Ų | 127 | 82 Ų | 82 | 50% | 0.498 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.6 | -178.2 | -68.6 | -66.4 | 0 | 0 | 0 | 114.3 | L104 A110 K111 V112 | L104-Y108 HydrophobicContact CB-CD2 4.32Å; L104-Y108 HydrophobicContact CD2-CD2 4.4Å; L104-Y108 HydrophobicContact CD2-CE2 3.86Å; L104-Y108 WeakPolarHBondContact O-CB 3.26Å; L104-Y108 VanDerWaalsContact O-CD2 3.24Å; L104-Y108 WeakPolarHBondContact O-CD2 3.32Å; L104-Y108 PolarHBondContact O-N 2.88Å; Y108-A110 VanDerWaalsContact C-N 3.28Å; Y108-A110 PolarHBondContact O-N 3.36Å; Y108-K111 HydrophobicContact CD1-CD 4.3Å; Y108-K111 WeakPolarHBondContact O-CA 3.38Å; Y108-K111 WeakPolarHBondContact O-CB 3.3Å; Y108-K111 PolarHBondContact O-N 2.86Å; Y108-V112 WeakPolarHBondContact O-CG2 3.17Å; Y108-V112 PolarHBondContact O-N 3.45Å |
| 109 | R | 85.6 | Confident | 88.4 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 47% | 0.468 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52.4 | -43.6 | -177 | 74.7 | -172.7 | -179.6 | 156.4 | 2.2 | 113.5 | G105 Y106 K111 V112 E113 | G105-R109 PolarHBondContact O-N 3.26Å; G105-R109 VanDerWaalsContact O-N 3.09Å; Y106-R109 WeakPolarHBondContact O-CB 3.5Å; Y106-R109 WeakPolarHBondContact O-CD 3.48Å; Y106-R109 WeakPolarHBondContact O-CG 3.32Å; Y106-R109 PolarHBondContact O-N 3.35Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 3.41Å; R109-V112 PolarHBondContact O-N 3.45Å; R109-E113 PolarHBondContact O-N 2.87Å |
| 110 | A | 86.7 | Confident | 88.1 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y108 E113 D114 | Y108-A110 VanDerWaalsContact C-N 3.28Å; Y108-A110 PolarHBondContact O-N 3.36Å; A110-E113 PolarHBondContact O-N 3.41Å; A110-D114 PolarHBondContact O-N 2.93Å; A110-D114 VanDerWaalsContact O-N 3.1Å |
| 111 | K | 88.6 | Confident | 87.8 | Confident | 134 Ų | 134 | 83.5 Ų | 83.5 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.6 | -38.2 | 174.4 | -172.1 | 177.1 | -178.4 | -178.8 | 0 | 111.2 | Y108 R109 D114 E115 | Y108-K111 HydrophobicContact CD1-CD 4.3Å; Y108-K111 WeakPolarHBondContact O-CA 3.38Å; Y108-K111 WeakPolarHBondContact O-CB 3.3Å; Y108-K111 PolarHBondContact O-N 2.86Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 3.41Å; K111-D114 PolarHBondContact O-N 3.29Å; K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.49Å |
| 112 | V | 83.1 | Confident | 87.6 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Y108 R109 D114 E115 V116 | Y108-V112 WeakPolarHBondContact O-CG2 3.17Å; Y108-V112 PolarHBondContact O-N 3.45Å; R109-V112 PolarHBondContact O-N 3.45Å; V112-D114 PolarHBondContact O-N 3.42Å; V112-E115 PolarHBondContact O-N 3.5Å; V112-V116 HydrophobicContact CG1-CG2 4.44Å; V112-V116 WeakPolarHBondContact O-CB 3.29Å; V112-V116 VanDerWaalsContact O-CG2 3.23Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.43Å |
| 113 | E | 83.9 | Confident | 87.4 | Confident | 68 Ų | 68 | 84 Ų | 84 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.3 | -72.2 | 178.4 | 170.8 | 0 | 0 | 111.7 | R109 A110 V116 N117 Q205 | R109-E113 PolarHBondContact O-N 2.87Å; A110-E113 PolarHBondContact O-N 3.41Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-N117 PolarHBondContact O-N 3.47Å; E113-N117 VanDerWaalsContact O-N 3.09Å; E113-N117 PolarHBondContact O-OD1 2.91Å; E113-Q205 PolarHBondContact OE1-NE2 3.02Å |
| 114 | D | 87.3 | Confident | 87.2 | Confident | 104 Ų | 104 | 80.8 Ų | 80.8 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 177.3 | -168.3 | 54.4 | 0 | 0 | 0 | 113.1 | A110 K111 V112 V116 N117 T118 | A110-D114 PolarHBondContact O-N 2.93Å; A110-D114 VanDerWaalsContact O-N 3.1Å; K111-D114 PolarHBondContact O-N 3.29Å; V112-D114 PolarHBondContact O-N 3.42Å; D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 2.92Å; D114-N117 PolarHBondContact O-N 3.27Å; D114-T118 PolarHBondContact O-N 3.32Å; D114-T118 PolarHBondContact O-OG1 3.29Å; D114-T118 VanDerWaalsContact O-OG1 3.07Å |
| 115 | E | 86.1 | Confident | 87.1 | Confident | 109 Ų | 109 | 81.5 Ų | 81.5 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 176.2 | -165.1 | 73.5 | -151.7 | 0 | 0 | 111.4 | K111 V112 T118 S119 | K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.49Å; V112-E115 PolarHBondContact O-N 3.5Å; E115-T118 PolarHBondContact O-N 2.95Å; E115-S119 WeakPolarHBondContact O-CB 3.27Å; E115-S119 PolarHBondContact O-N 3.46Å; E115-S119 PolarHBondContact O-OG 2.88Å |
| 116 | V | 83.9 | Confident | 87 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.5 | 167 | 0 | 0 | 0 | 0 | 110.3 | V112 E113 D114 S119 I120 V200 L204 | V112-V116 HydrophobicContact CG1-CG2 4.44Å; V112-V116 WeakPolarHBondContact O-CB 3.29Å; V112-V116 VanDerWaalsContact O-CG2 3.23Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.43Å; E113-V116 PolarHBondContact O-N 3.43Å; D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 2.92Å; V116-S119 PolarHBondContact O-N 3.49Å; V116-I120 HydrophobicContact CG1-CD1 3.86Å; V116-I120 HydrophobicContact CG1-CG1 4.41Å; V116-I120 VanDerWaalsContact O-CG1 3.32Å; V116-I120 WeakPolarHBondContact O-CG1 3.38Å; V116-I120 PolarHBondContact O-N 3.23Å; V116-V200 HydrophobicContact CG1-CG1 4.16Å; V116-L204 HydrophobicContact CG1-CD1 4.05Å; V116-L204 HydrophobicContact CG2-CD1 3.91Å |
| 117 | N | 85.7 | Confident | 87.1 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 178.6 | -73.2 | -1.7 | 0 | 0 | 0 | 111.7 | E113 D114 S119 I120 M121 E197 | E113-N117 PolarHBondContact O-N 3.47Å; E113-N117 VanDerWaalsContact O-N 3.09Å; E113-N117 PolarHBondContact O-OD1 2.91Å; D114-N117 PolarHBondContact O-N 3.27Å; N117-S119 VanDerWaalsContact C-N 3.33Å; N117-S119 PolarHBondContact O-N 2.95Å; N117-I120 PolarHBondContact O-N 3.07Å; N117-M121 WeakPolarHBondContact O-CG 3.19Å; N117-M121 PolarHBondContact O-N 3.29Å; N117-M121 VanDerWaalsContact O-N 3.14Å; N117-E197 PolarHBondContact ND2-OE1 3.36Å; N117-E197 VanDerWaalsContact OD1-CG 3.28Å; N117-E197 WeakPolarHBondContact OD1-CG 3.33Å; N117-E197 PolarHBondContact OD1-OE1 3.48Å |
| 118 | T | 87.9 | Confident | 87 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | D114 E115 M121 K122 | D114-T118 PolarHBondContact O-N 3.32Å; D114-T118 PolarHBondContact O-OG1 3.29Å; D114-T118 VanDerWaalsContact O-OG1 3.07Å; E115-T118 PolarHBondContact O-N 2.95Å; T118-M121 PolarHBondContact O-N 3.49Å; T118-K122 PolarHBondContact O-N 3.46Å; T118-K122 VanDerWaalsContact O-N 3.08Å |
| 119 | S | 86.5 | Confident | 86.7 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | E115 V116 N117 M121 K122 V123 | E115-S119 WeakPolarHBondContact O-CB 3.27Å; E115-S119 PolarHBondContact O-N 3.46Å; E115-S119 PolarHBondContact O-OG 2.88Å; V116-S119 PolarHBondContact O-N 3.49Å; N117-S119 VanDerWaalsContact C-N 3.33Å; N117-S119 PolarHBondContact O-N 2.95Å; S119-M121 VanDerWaalsContact C-N 3.34Å; S119-M121 PolarHBondContact O-N 2.95Å; S119-K122 PolarHBondContact O-N 3.1Å; S119-V123 VanDerWaalsContact O-CG2 3.24Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.45Å |
| 120 | I | 87.2 | Confident | 86.6 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 176.2 | -73.1 | 171.5 | 0 | 0 | 0 | 109.9 | V116 N117 K122 V123 Y124 I151 E197 V200 | V116-I120 HydrophobicContact CG1-CD1 3.86Å; V116-I120 HydrophobicContact CG1-CG1 4.41Å; V116-I120 VanDerWaalsContact O-CG1 3.32Å; V116-I120 WeakPolarHBondContact O-CG1 3.38Å; V116-I120 PolarHBondContact O-N 3.23Å; N117-I120 PolarHBondContact O-N 3.07Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.5Å; I120-V123 PolarHBondContact O-N 2.95Å; I120-Y124 HydrophobicContact CG2-CD2 3.87Å; I120-Y124 HydrophobicContact CG2-CE2 3.94Å; I120-Y124 VanDerWaalsContact O-CD2 3.32Å; I120-Y124 WeakPolarHBondContact O-CD2 3.37Å; I120-Y124 PolarHBondContact O-N 2.99Å; I120-I151 HydrophobicContact CG2-CG1 4.19Å; I120-I151 HydrophobicContact CG2-CG2 4.21Å; I120-E197 HydrophobicContact CD1-CG 4.5Å; I120-V200 HydrophobicContact CD1-CB 4.25Å; I120-V200 HydrophobicContact CD1-CG1 4.17Å; I120-V200 HydrophobicContact CD1-CG2 4.45Å |
| 121 | M | 88 | Confident | 86.1 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 178.2 | -68.3 | -179.6 | -176.8 | 0 | 0 | 112.1 | N117 T118 S119 Y124 D125 I151 | N117-M121 WeakPolarHBondContact O-CG 3.19Å; N117-M121 PolarHBondContact O-N 3.29Å; N117-M121 VanDerWaalsContact O-N 3.14Å; T118-M121 PolarHBondContact O-N 3.49Å; S119-M121 VanDerWaalsContact C-N 3.34Å; S119-M121 PolarHBondContact O-N 2.95Å; M121-Y124 PolarHBondContact O-N 3.39Å; M121-D125 PolarHBondContact O-N 3.42Å; M121-D125 VanDerWaalsContact O-N 3.1Å; M121-I151 HydrophobicContact CB-CD1 4.5Å; M121-I151 HydrophobicContact CG-CD1 4.05Å |
| 122 | K | 87.4 | Confident | 85.5 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 179.2 | -173.7 | -179.5 | 174.6 | -172.5 | 0 | 112.4 | T118 S119 I120 Y124 D125 E126 | T118-K122 PolarHBondContact O-N 3.46Å; T118-K122 VanDerWaalsContact O-N 3.08Å; S119-K122 PolarHBondContact O-N 3.1Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.5Å; K122-Y124 VanDerWaalsContact C-N 3.27Å; K122-Y124 PolarHBondContact O-N 3.46Å; K122-D125 PolarHBondContact O-N 2.98Å; K122-D125 VanDerWaalsContact O-N 3.16Å; K122-E126 WeakPolarHBondContact CE-OE1 3.23Å; K122-E126 PolarHBondContact O-N 3.22Å; K122-E126 VanDerWaalsContact O-N 3.11Å |
| 123 | V | 86.5 | Confident | 85.4 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | S119 I120 E126 Y127 Q135 I139 | S119-V123 VanDerWaalsContact O-CG2 3.24Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.45Å; I120-V123 PolarHBondContact O-N 2.95Å; V123-E126 PolarHBondContact O-N 2.71Å; V123-Y127 PolarHBondContact O-N 3.44Å; V123-Q135 HydrophobicContact CG1-CB 3.88Å; V123-Q135 HydrophobicContact CG1-CG 4.18Å; V123-I139 HydrophobicContact CG1-CD1 3.77Å; V123-I139 HydrophobicContact CG1-CG1 3.85Å; V123-I139 VanDerWaalsContact O-CD1 3.26Å; V123-I139 WeakPolarHBondContact O-CD1 3.49Å |
| 124 | Y | 89.6 | Confident | 85.2 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.5 | -33 | 174.3 | -92.1 | -96.6 | 0 | 0 | 0 | 113.4 | I120 M121 K122 Y127 I139 Q143 G150 I151 W157 | I120-Y124 HydrophobicContact CG2-CD2 3.87Å; I120-Y124 HydrophobicContact CG2-CE2 3.94Å; I120-Y124 VanDerWaalsContact O-CD2 3.32Å; I120-Y124 WeakPolarHBondContact O-CD2 3.37Å; I120-Y124 PolarHBondContact O-N 2.99Å; M121-Y124 PolarHBondContact O-N 3.39Å; K122-Y124 VanDerWaalsContact C-N 3.27Å; K122-Y124 PolarHBondContact O-N 3.46Å; Y124-Y127 WeakPolarHBondContact O-CB 3.38Å; Y124-Y127 PolarHBondContact O-N 2.84Å; Y124-I139 HydrophobicContact CD1-CD1 4.18Å; Y124-I139 HydrophobicContact CD2-CD1 3.86Å; Y124-I139 HydrophobicContact CD2-CG1 4.13Å; Y124-I139 HydrophobicContact CE1-CG2 4.02Å; Y124-I139 HydrophobicContact CE2-CD1 4.24Å; Y124-I139 HydrophobicContact CE2-CG1 4.06Å; Y124-I139 HydrophobicContact CE2-CG2 4.37Å; Y124-I139 HydrophobicContact CG-CD1 3.85Å; Y124-Q143 PolarHBondContact OH-NE2 2.9Å; Y124-G150 PolarHBondContact OH-O 3.29Å; Y124-I151 HydrophobicContact CD1-CG1 4.22Å; Y124-I151 HydrophobicContact CD2-CD1 4.46Å; Y124-I151 HydrophobicContact CD2-CG1 3.9Å; Y124-I151 HydrophobicContact CE1-CG1 4.47Å; Y124-I151 HydrophobicContact CE2-CG1 4.16Å; Y124-I151 HydrophobicContact CG-CD1 4.21Å; Y124-I151 HydrophobicContact CG-CG1 3.91Å; Y124-W157 AromaticContact CD1-CH2 3.89Å; Y124-W157 HydrophobicContact CD1-CH2 3.89Å; Y124-W157 AromaticContact CD1-CZ2 3.96Å; Y124-W157 HydrophobicContact CD1-CZ2 3.96Å; Y124-W157 HydrophobicContact CD1-CZ3 4.3Å; Y124-W157 AromaticContact CE1-CE2 3.85Å; Y124-W157 AromaticContact CE1-CH2 3.83Å; Y124-W157 HydrophobicContact CE1-CH2 3.83Å; Y124-W157 AromaticContact CE1-CZ2 3.44Å; Y124-W157 HydrophobicContact CE1-CZ2 3.44Å; Y124-W157 VanDerWaalsContact CE1-CZ2 3.44Å |
| 125 | D | 87.9 | Confident | 85.1 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.6 | -33.6 | 175.3 | -161.7 | 47.8 | 0 | 0 | 0 | 112 | M121 K122 Y127 | M121-D125 PolarHBondContact O-N 3.42Å; M121-D125 VanDerWaalsContact O-N 3.1Å; K122-D125 PolarHBondContact O-N 2.98Å; K122-D125 VanDerWaalsContact O-N 3.16Å; D125-Y127 VanDerWaalsContact C-N 3.27Å; D125-Y127 PolarHBondContact O-N 3.48Å |
| 126 | E | 87.6 | Confident | 85.2 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.6 | 176 | -67.7 | 175.9 | -170.7 | 0 | 0 | 113.8 | K122 V123 N128 N133 Q135 | K122-E126 WeakPolarHBondContact CE-OE1 3.23Å; K122-E126 PolarHBondContact O-N 3.22Å; K122-E126 VanDerWaalsContact O-N 3.11Å; V123-E126 PolarHBondContact O-N 2.71Å; E126-N128 PolarHBondContact O-N 3.31Å; E126-N133 PolarHBondContact O-ND2 2.92Å; E126-Q135 HydrophobicContact CB-CB 4.4Å; E126-Q135 HydrophobicContact CB-CG 4Å; E126-Q135 WeakPolarHBondContact OE2-CG 3.31Å; E126-Q135 PolarHBondContact OE2-NE2 3.3Å |
| 127 | Y | 89.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | trans | -67.7 | 128.8 | 177.2 | -173.6 | -88.6 | 0 | 0 | 0 | 111 | V123 Y124 D125 G129 I139 D140 W157 W162 P172 | V123-Y127 PolarHBondContact O-N 3.44Å; Y124-Y127 WeakPolarHBondContact O-CB 3.38Å; Y124-Y127 PolarHBondContact O-N 2.84Å; D125-Y127 VanDerWaalsContact C-N 3.27Å; D125-Y127 PolarHBondContact O-N 3.48Å; Y127-G129 VanDerWaalsContact CE1-CA 3.44Å; Y127-G129 VanDerWaalsContact CE1-N 3.29Å; Y127-I139 HydrophobicContact CD2-CB 4Å; Y127-I139 HydrophobicContact CD2-CD1 3.67Å; Y127-I139 HydrophobicContact CD2-CG1 4.42Å; Y127-I139 HydrophobicContact CD2-CG2 4.12Å; Y127-I139 HydrophobicContact CE2-CB 4.18Å; Y127-I139 HydrophobicContact CE2-CG2 4.13Å; Y127-I139 HydrophobicContact CG-CD1 4.27Å; Y127-D140 PolarHBondContact OH-OD1 2.93Å; Y127-D140 VanDerWaalsContact OH-OD1 3.07Å; Y127-W157 AromaticContact CD1-CH2 3.8Å; Y127-W157 HydrophobicContact CD1-CH2 3.8Å; Y127-W157 AromaticContact CD1-CZ3 3.56Å; Y127-W157 HydrophobicContact CD1-CZ3 3.56Å; Y127-W157 AromaticContact CD2-CH2 3.86Å; Y127-W157 HydrophobicContact CD2-CH2 3.86Å; Y127-W157 HydrophobicContact CD2-CZ3 4.39Å; Y127-W157 AromaticContact CE1-CH2 3.97Å; Y127-W157 HydrophobicContact CE1-CH2 3.97Å; Y127-W157 AromaticContact CE1-CZ3 3.96Å; Y127-W157 HydrophobicContact CE1-CZ3 3.96Å; Y127-W157 HydrophobicContact CE2-CH2 4.03Å; Y127-W157 AromaticContact CG-CH2 3.74Å; Y127-W157 HydrophobicContact CG-CH2 3.74Å; Y127-W157 AromaticContact CG-CZ3 3.81Å; Y127-W157 HydrophobicContact CG-CZ3 3.81Å; Y127-W162 HydrophobicContact CD1-CB 4.02Å; Y127-W162 HydrophobicContact CD1-CD2 4Å; Y127-W162 AromaticContact CD1-CG 3.72Å; Y127-W162 HydrophobicContact CD1-CG 3.72Å; Y127-W162 AromaticContact CE1-CD2 3.84Å; Y127-W162 HydrophobicContact CE1-CD2 3.84Å; Y127-W162 AromaticContact CE1-CE2 3.89Å; Y127-W162 HydrophobicContact CE1-CE3 4.38Å; Y127-W162 AromaticContact CE1-CG 3.97Å; Y127-W162 HydrophobicContact CE1-CG 3.97Å; Y127-W162 HydrophobicContact CE1-CZ2 4.46Å; Y127-W162 AromaticContact CE1-NE1 3.99Å; Y127-W162 WeakPolarHBondContact O-CB 3.48Å; Y127-P172 HydrophobicContact CE1-CG 3.7Å; Y127-P172 HydrophobicContact CE2-CG 4.43Å; Y127-P172 WeakPolarHBondContact OH-CB 3.5Å; Y127-P172 VanDerWaalsContact OH-CG 3.32Å; Y127-P172 WeakPolarHBondContact OH-CG 3.13Å | ||
| 128 | N | 88.6 | Confident | 85.5 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | trans | -126.3 | 1 | 177.7 | 71 | 10.3 | 0 | 0 | 0 | 113.8 | E126 T130 N133 S136 | E126-N128 PolarHBondContact O-N 3.31Å; N128-T130 VanDerWaalsContact CG-OG1 3.24Å; N128-T130 PolarHBondContact ND2-OG1 2.71Å; N128-T130 PolarHBondContact O-N 3.44Å; N128-T130 WeakPolarHBondContact OD1-CB 3.07Å; N128-T130 PolarHBondContact OD1-N 3.16Å; N128-T130 PolarHBondContact OD1-OG1 3.07Å; N128-N133 WeakPolarHBondContact OD1-CB 3.45Å; N128-N133 PolarHBondContact OD1-ND2 2.99Å; N128-S136 PolarHBondContact N-OG 3.23Å; N128-S136 VanDerWaalsContact N-OG 3.14Å; N128-S136 PolarHBondContact OD1-OG 3.27Å | ||
| 129 | G | 84.3 | Confident | 85.7 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | trans | 68.5 | 6.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | Y127 S136 | Y127-G129 VanDerWaalsContact CE1-CA 3.44Å; Y127-G129 VanDerWaalsContact CE1-N 3.29Å; G129-S136 PolarHBondContact N-OG 2.95Å; G129-S136 VanDerWaalsContact N-OG 3.15Å | ||
| 130 | T | 82.6 | Confident | 86 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | trans | -93 | 141.1 | 176.7 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | N128 S132 N133 S136 | N128-T130 VanDerWaalsContact CG-OG1 3.24Å; N128-T130 PolarHBondContact ND2-OG1 2.71Å; N128-T130 PolarHBondContact O-N 3.44Å; N128-T130 WeakPolarHBondContact OD1-CB 3.07Å; N128-T130 PolarHBondContact OD1-N 3.16Å; N128-T130 PolarHBondContact OD1-OG1 3.07Å; T130-S132 PolarHBondContact O-N 3.33Å; T130-S132 PolarHBondContact OG1-OG 2.93Å; T130-N133 PolarHBondContact O-N 2.8Å; T130-S136 WeakPolarHBondContact O-CB 3.47Å | ||
| 131 | N | 75.4 | Confident | 86.3 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.6 | 178.6 | -73.8 | -37.7 | 0 | 0 | 0 | 113.4 | R137 | N131-R137 VanDerWaalsContact O-CD 3.27Å; N131-R137 WeakPolarHBondContact O-CD 3.33Å; N131-R137 PolarHBondContact O-NH1 3.32Å |
| 132 | S | 76.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -30.3 | 174.1 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | T130 R137 | T130-S132 PolarHBondContact O-N 3.33Å; T130-S132 PolarHBondContact OG1-OG 2.93Å; S132-R137 PolarHBondContact O-NH1 3Å |
| 133 | N | 80.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | trans | -74.5 | 126 | -179.1 | -166.6 | 37.6 | 0 | 0 | 0 | 112.4 | E126 N128 T130 Q135 S136 R137 | E126-N133 PolarHBondContact O-ND2 2.92Å; N128-N133 WeakPolarHBondContact OD1-CB 3.45Å; N128-N133 PolarHBondContact OD1-ND2 2.99Å; T130-N133 PolarHBondContact O-N 2.8Å; N133-Q135 PolarHBondContact OD1-OE1 3.03Å; N133-S136 PolarHBondContact ND2-N 2.92Å; N133-S136 PolarHBondContact ND2-OG 3.26Å; N133-S136 PolarHBondContact O-N 3.19Å; N133-R137 PolarHBondContact O-N 3.44Å | ||
| 134 | A | 80.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F46 S136 R137 A138 | F46-A134 HydrophobicContact CD1-CB 4.29Å; F46-A134 HydrophobicContact CE1-CB 4.31Å; A134-S136 PolarHBondContact O-N 3.46Å; A134-R137 PolarHBondContact O-N 2.88Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.36Å |
| 135 | Q | 84.9 | Confident | 87.6 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.8 | -63.7 | 85.7 | -31 | 0 | 0 | 110.8 | V123 E126 N133 R137 A138 I139 | V123-Q135 HydrophobicContact CG1-CB 3.88Å; V123-Q135 HydrophobicContact CG1-CG 4.18Å; E126-Q135 HydrophobicContact CB-CB 4.4Å; E126-Q135 HydrophobicContact CB-CG 4Å; E126-Q135 WeakPolarHBondContact OE2-CG 3.31Å; E126-Q135 PolarHBondContact OE2-NE2 3.3Å; N133-Q135 PolarHBondContact OD1-OE1 3.03Å; Q135-R137 PolarHBondContact O-N 3.31Å; Q135-A138 PolarHBondContact O-N 2.9Å; Q135-I139 PolarHBondContact O-N 3.42Å |
| 136 | S | 88.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 112 | N128 G129 T130 N133 A134 I139 D140 | N128-S136 PolarHBondContact N-OG 3.23Å; N128-S136 VanDerWaalsContact N-OG 3.14Å; N128-S136 PolarHBondContact OD1-OG 3.27Å; G129-S136 PolarHBondContact N-OG 2.95Å; G129-S136 VanDerWaalsContact N-OG 3.15Å; T130-S136 WeakPolarHBondContact O-CB 3.47Å; N133-S136 PolarHBondContact ND2-N 2.92Å; N133-S136 PolarHBondContact ND2-OG 3.26Å; N133-S136 PolarHBondContact O-N 3.19Å; A134-S136 PolarHBondContact O-N 3.46Å; S136-I139 PolarHBondContact O-N 2.86Å; S136-D140 WeakPolarHBondContact O-CB 3.38Å; S136-D140 PolarHBondContact O-N 3.48Å |
| 137 | R | 88.1 | Confident | 88.3 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.3 | -67.7 | -165.3 | -53.4 | -83 | -9.9 | 112.3 | N131 S132 N133 A134 Q135 Y141 | N131-R137 VanDerWaalsContact O-CD 3.27Å; N131-R137 WeakPolarHBondContact O-CD 3.33Å; N131-R137 PolarHBondContact O-NH1 3.32Å; S132-R137 PolarHBondContact O-NH1 3Å; N133-R137 PolarHBondContact O-N 3.44Å; A134-R137 PolarHBondContact O-N 2.88Å; Q135-R137 PolarHBondContact O-N 3.31Å; R137-Y141 WeakPolarHBondContact O-CB 3.4Å; R137-Y141 PolarHBondContact O-N 3.01Å |
| 138 | A | 87.7 | Confident | 88.6 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A134 Q135 Y141 V142 | A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.36Å; Q135-A138 PolarHBondContact O-N 2.9Å; A138-Y141 PolarHBondContact O-N 2.97Å; A138-V142 WeakPolarHBondContact O-CB 3.34Å; A138-V142 VanDerWaalsContact O-CG2 3.27Å; A138-V142 WeakPolarHBondContact O-CG2 3.3Å; A138-V142 PolarHBondContact O-N 3.49Å |
| 139 | I | 92.3 | Very high | 89 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.1 | -72.5 | 166.9 | 0 | 0 | 0 | 110.9 | V123 Y124 Y127 Q135 S136 Y141 V142 Q143 W157 | V123-I139 HydrophobicContact CG1-CD1 3.77Å; V123-I139 HydrophobicContact CG1-CG1 3.85Å; V123-I139 VanDerWaalsContact O-CD1 3.26Å; V123-I139 WeakPolarHBondContact O-CD1 3.49Å; Y124-I139 HydrophobicContact CD1-CD1 4.18Å; Y124-I139 HydrophobicContact CD2-CD1 3.86Å; Y124-I139 HydrophobicContact CD2-CG1 4.13Å; Y124-I139 HydrophobicContact CE1-CG2 4.02Å; Y124-I139 HydrophobicContact CE2-CD1 4.24Å; Y124-I139 HydrophobicContact CE2-CG1 4.06Å; Y124-I139 HydrophobicContact CE2-CG2 4.37Å; Y124-I139 HydrophobicContact CG-CD1 3.85Å; Y127-I139 HydrophobicContact CD2-CB 4Å; Y127-I139 HydrophobicContact CD2-CD1 3.67Å; Y127-I139 HydrophobicContact CD2-CG1 4.42Å; Y127-I139 HydrophobicContact CD2-CG2 4.12Å; Y127-I139 HydrophobicContact CE2-CB 4.18Å; Y127-I139 HydrophobicContact CE2-CG2 4.13Å; Y127-I139 HydrophobicContact CG-CD1 4.27Å; Q135-I139 PolarHBondContact O-N 3.42Å; S136-I139 PolarHBondContact O-N 2.86Å; I139-Y141 PolarHBondContact O-N 3.3Å; I139-V142 PolarHBondContact O-N 3.43Å; I139-Q143 HydrophobicContact CG2-CG 4.24Å; I139-Q143 WeakPolarHBondContact O-CB 3.36Å; I139-Q143 WeakPolarHBondContact O-CG 3.28Å; I139-Q143 PolarHBondContact O-N 2.91Å; I139-W157 HydrophobicContact CG2-CH2 4.04Å; I139-W157 HydrophobicContact CG2-CZ2 3.99Å |
| 140 | D | 93.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -37.7 | -179.8 | -81.8 | 5 | 0 | 0 | 0 | 112.1 | Y127 S136 R144 S174 | Y127-D140 PolarHBondContact OH-OD1 2.93Å; Y127-D140 VanDerWaalsContact OH-OD1 3.07Å; S136-D140 WeakPolarHBondContact O-CB 3.38Å; S136-D140 PolarHBondContact O-N 3.48Å; D140-R144 WeakPolarHBondContact O-CB 3.5Å; D140-R144 WeakPolarHBondContact O-CD 3.48Å; D140-R144 WeakPolarHBondContact O-CG 3.38Å; D140-R144 PolarHBondContact O-N 3.22Å; D140-R144 IonicContact OD2-NH2 3.87Å; D140-S174 VanDerWaalsContact CG-OG 3.32Å; D140-S174 WeakPolarHBondContact OD1-CB 3.39Å; D140-S174 PolarHBondContact OD1-OG 3Å |
| 141 | Y | 92.2 | Very high | 90 | Very high | 147 Ų | 147 | 51.9 Ų | 51.9 | 58% | 0.576 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.8 | -50 | 175.3 | 178.3 | -96.9 | 0 | 0 | 0 | 111.3 | R137 A138 I139 Q143 R144 Q145 | R137-Y141 WeakPolarHBondContact O-CB 3.4Å; R137-Y141 PolarHBondContact O-N 3.01Å; A138-Y141 PolarHBondContact O-N 2.97Å; I139-Y141 PolarHBondContact O-N 3.3Å; Y141-Q143 PolarHBondContact O-N 3.16Å; Y141-R144 PolarHBondContact O-N 3.17Å; Y141-Q145 HydrophobicContact CD1-CG 4.05Å; Y141-Q145 HydrophobicContact CD2-CG 4.05Å; Y141-Q145 HydrophobicContact CE1-CG 3.7Å; Y141-Q145 HydrophobicContact CE2-CG 3.7Å; Y141-Q145 HydrophobicContact CG-CG 4.22Å; Y141-Q145 WeakPolarHBondContact O-CB 3.37Å; Y141-Q145 VanDerWaalsContact O-CG 3.26Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 2.77Å |
| 142 | V | 93.7 | Very high | 90.9 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 29% | 0.285 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | -179.8 | 169 | 0 | 0 | 0 | 0 | 111 | A138 I139 R144 Q145 L146 C196 V200 | A138-V142 WeakPolarHBondContact O-CB 3.34Å; A138-V142 VanDerWaalsContact O-CG2 3.27Å; A138-V142 WeakPolarHBondContact O-CG2 3.3Å; A138-V142 PolarHBondContact O-N 3.49Å; I139-V142 PolarHBondContact O-N 3.43Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 3.14Å; V142-Q145 PolarHBondContact O-N 3.04Å; V142-L146 HydrophobicContact CG1-CD1 3.99Å; V142-L146 HydrophobicContact CG1-CG 4.43Å; V142-L146 WeakPolarHBondContact O-CB 3.5Å; V142-L146 PolarHBondContact O-N 3.14Å; V142-C196 HydrophobicContact CG1-CB 4.33Å; V142-V200 HydrophobicContact CG1-CG2 3.99Å |
| 143 | Q | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.9 | -74.6 | -174.9 | -16.8 | 0 | 0 | 112.3 | Y124 I139 Y141 Q147 C148 W157 S174 C175 | Y124-Q143 PolarHBondContact OH-NE2 2.9Å; I139-Q143 HydrophobicContact CG2-CG 4.24Å; I139-Q143 WeakPolarHBondContact O-CB 3.36Å; I139-Q143 WeakPolarHBondContact O-CG 3.28Å; I139-Q143 PolarHBondContact O-N 2.91Å; Y141-Q143 PolarHBondContact O-N 3.16Å; Q143-Q147 WeakPolarHBondContact O-CA 3.32Å; Q143-Q147 PolarHBondContact O-N 3.41Å; Q143-C148 WeakPolarHBondContact CA-O 3.29Å; Q143-C148 WeakPolarHBondContact CB-O 3.33Å; Q143-C148 WeakPolarHBondContact CG-O 3.45Å; Q143-C148 PolarHBondContact O-N 2.87Å; Q143-W157 VanDerWaalsContact NE2-CZ2 3.31Å; Q143-S174 PolarHBondContact OE1-OG 3.07Å; Q143-C175 VanDerWaalsContact CD-SG 3.51Å; Q143-C175 PolarHBondContact NE2-SG 3.43Å; Q143-C175 VanDerWaalsContact NE2-SG 3.45Å; Q143-C175 PolarHBondContact OE1-SG 3.05Å |
| 144 | R | 94.6 | Very high | 92.3 | Very high | 140 Ų | 140 | 49.6 Ų | 49.6 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 176.5 | -70.9 | 172.3 | -174.3 | 146.2 | 9.8 | 112.8 | D140 Y141 V142 | D140-R144 WeakPolarHBondContact O-CB 3.5Å; D140-R144 WeakPolarHBondContact O-CD 3.48Å; D140-R144 WeakPolarHBondContact O-CG 3.38Å; D140-R144 PolarHBondContact O-N 3.22Å; D140-R144 IonicContact OD2-NH2 3.87Å; Y141-R144 PolarHBondContact O-N 3.17Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 3.14Å |
| 145 | Q | 95.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.9 | -40.8 | -176.6 | -74.7 | -62.4 | -18.8 | 0 | 0 | 112.8 | Y141 V142 | Y141-Q145 HydrophobicContact CD1-CG 4.05Å; Y141-Q145 HydrophobicContact CD2-CG 4.05Å; Y141-Q145 HydrophobicContact CE1-CG 3.7Å; Y141-Q145 HydrophobicContact CE2-CG 3.7Å; Y141-Q145 HydrophobicContact CG-CG 4.22Å; Y141-Q145 WeakPolarHBondContact O-CB 3.37Å; Y141-Q145 VanDerWaalsContact O-CG 3.26Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 2.77Å; V142-Q145 PolarHBondContact O-N 3.04Å |
| 146 | L | 95.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -95.2 | -4.2 | -178.5 | -59.2 | -172.4 | 0 | 0 | 0 | 112.9 | V142 C148 L199 V200 K203 | V142-L146 HydrophobicContact CG1-CD1 3.99Å; V142-L146 HydrophobicContact CG1-CG 4.43Å; V142-L146 WeakPolarHBondContact O-CB 3.5Å; V142-L146 PolarHBondContact O-N 3.14Å; L146-C148 VanDerWaalsContact C-N 3.32Å; L146-C148 PolarHBondContact O-N 3.36Å; L146-L199 HydrophobicContact CB-CB 4.42Å; L146-L199 HydrophobicContact CB-CD2 4.3Å; L146-L199 HydrophobicContact CD1-CB 4.27Å; L146-L199 WeakPolarHBondContact O-CD2 3.49Å; L146-V200 HydrophobicContact CD1-CB 4.41Å; L146-V200 HydrophobicContact CD1-CG2 3.51Å; L146-K203 HydrophobicContact CD2-CD 4.3Å; L146-K203 HydrophobicContact CD2-CG 3.78Å |
| 147 | Q | 95.7 | Very high | 93.4 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 48.8 | 179.1 | -57.8 | -170.1 | -57.1 | 0 | 0 | 111.7 | Q143 Y192 | Q143-Q147 WeakPolarHBondContact O-CA 3.32Å; Q143-Q147 PolarHBondContact O-N 3.41Å; Q147-Y192 HydrophobicContact CB-CD1 3.94Å; Q147-Y192 HydrophobicContact CB-CE1 3.49Å; Q147-Y192 VanDerWaalsContact CB-CE1 3.49Å; Q147-Y192 HydrophobicContact CB-CE2 4.33Å; Q147-Y192 HydrophobicContact CG-CE1 4.1Å; Q147-Y192 WeakPolarHBondContact O-CD1 3.32Å; Q147-Y192 VanDerWaalsContact O-CG 3.27Å |
| 148 | C | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -128.2 | 163.6 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | Q143 L146 E194 C196 L199 | Q143-C148 WeakPolarHBondContact CA-O 3.29Å; Q143-C148 WeakPolarHBondContact CB-O 3.33Å; Q143-C148 WeakPolarHBondContact CG-O 3.45Å; Q143-C148 PolarHBondContact O-N 2.87Å; L146-C148 VanDerWaalsContact C-N 3.32Å; L146-C148 PolarHBondContact O-N 3.36Å; C148-E194 CarbonylContact C-O 3.26Å; C148-E194 VanDerWaalsContact CA-O 3.27Å; C148-E194 WeakPolarHBondContact CA-O 3.41Å; C148-E194 VanDerWaalsContact CB-O 3.3Å; C148-E194 WeakPolarHBondContact CB-O 3.2Å; C148-C196 VanDerWaalsContact C-SG 3.56Å; C148-C196 HydrophobicContact CB-CB 3.94Å; C148-C196 WeakPolarHBondContact CB-SG 3.49Å; C148-C196 WeakPolarHBondContact SG-CA 3.34Å; C148-C196 WeakPolarHBondContact SG-CB 3.26Å; C148-C196 CovalentContact SG-SG 2.04Å; C148-C196 PolarHBondContact SG-SG 3.31Å; C148-L199 HydrophobicContact CB-CD2 4.35Å | ||
| 149 | C | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -142 | 132.6 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | N153 F154 W157 C175 Y192 E194 | C149-N153 CarbonylContact O-C 3.47Å; C149-N153 WeakPolarHBondContact O-CA 3.48Å; C149-F154 HydrophobicContact CB-CB 4.11Å; C149-F154 PolarHBondContact O-N 3.21Å; C149-F154 VanDerWaalsContact O-N 3.16Å; C149-F154 VanDerWaalsContact SG-CB 3.5Å; C149-W157 PolarHBondContact SG-NE1 3.35Å; C149-C175 VanDerWaalsContact CA-SG 3.57Å; C149-C175 HydrophobicContact CB-CB 3.63Å; C149-C175 WeakPolarHBondContact CB-SG 3.26Å; C149-C175 WeakPolarHBondContact SG-CB 3.32Å; C149-C175 CovalentContact SG-SG 2.03Å; C149-C175 PolarHBondContact SG-SG 3.48Å; C149-Y192 VanDerWaalsContact CB-O 3.26Å; C149-Y192 WeakPolarHBondContact CB-O 3.49Å; C149-E194 PolarHBondContact N-O 3.49Å | ||
| 150 | G | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 70 | -171.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y124 N153 C196 | Y124-G150 PolarHBondContact OH-O 3.29Å; G150-N153 WeakPolarHBondContact CA-O 3.41Å; G150-C196 VanDerWaalsContact O-CB 3.29Å; G150-C196 WeakPolarHBondContact O-CB 3.47Å; G150-C196 PolarHBondContact O-N 3.45Å; G150-C196 PolarHBondContact O-SG 2.99Å |
| 151 | I | 93.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -80.6 | -58 | -176.1 | -59.2 | 173.7 | 0 | 0 | 0 | 108.6 | I120 M121 Y124 D156 G195 C196 E197 | I120-I151 HydrophobicContact CG2-CG1 4.19Å; I120-I151 HydrophobicContact CG2-CG2 4.21Å; M121-I151 HydrophobicContact CB-CD1 4.5Å; M121-I151 HydrophobicContact CG-CD1 4.05Å; Y124-I151 HydrophobicContact CD1-CG1 4.22Å; Y124-I151 HydrophobicContact CD2-CD1 4.46Å; Y124-I151 HydrophobicContact CD2-CG1 3.9Å; Y124-I151 HydrophobicContact CE1-CG1 4.47Å; Y124-I151 HydrophobicContact CE2-CG1 4.16Å; Y124-I151 HydrophobicContact CG-CD1 4.21Å; Y124-I151 HydrophobicContact CG-CG1 3.91Å; I151-D156 PolarHBondContact N-OD2 3.35Å; I151-G195 CarbonylContact O-C 3.36Å; I151-G195 VanDerWaalsContact O-C 3.26Å; I151-G195 VanDerWaalsContact O-CA 3.26Å; I151-G195 WeakPolarHBondContact O-CA 3.02Å; I151-C196 PolarHBondContact O-N 2.92Å; I151-C196 VanDerWaalsContact O-N 3.08Å; I151-E197 HydrophobicContact CG2-CB 4.17Å; I151-E197 WeakPolarHBondContact CG2-OE2 2.91Å; I151-E197 WeakPolarHBondContact O-CB 3.48Å; I151-E197 PolarHBondContact O-N 2.7Å |
| 152 | H | 93.9 | Very high | 93.2 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -105.2 | -32.2 | 173.1 | -54.2 | -53.5 | 0 | 0 | 0 | 112.2 | D156 G195 E197 | H152-D156 WeakPolarHBondContact CA-OD2 3.38Å; H152-D156 PolarHBondContact N-OD2 3.23Å; H152-G195 WeakPolarHBondContact O-CA 3.41Å; H152-G195 PolarHBondContact O-N 2.9Å; H152-G195 VanDerWaalsContact O-N 3.1Å; H152-E197 IonicContact CE1-OE2 2.91Å; H152-E197 PolarHBondContact CE1-OE2 3.42Å; H152-E197 IonicContact ND1-OE2 3.38Å; H152-E197 PolarHBondContact ND1-OE2 2.97Å; H152-E197 IonicContact NE2-OE2 3.87Å |
| 153 | N | 94 | Very high | 93 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -163.5 | 167.2 | 175.8 | -168.2 | -4.8 | 0 | 0 | 0 | 111.1 | C149 G150 S155 D156 Q193 | C149-N153 CarbonylContact O-C 3.47Å; C149-N153 WeakPolarHBondContact O-CA 3.48Å; G150-N153 WeakPolarHBondContact CA-O 3.41Å; N153-S155 PolarHBondContact O-N 3.5Å; N153-D156 PolarHBondContact N-OD2 3.38Å; N153-D156 WeakPolarHBondContact O-CB 3.32Å; N153-D156 VanDerWaalsContact O-CG 3.26Å; N153-D156 PolarHBondContact O-N 2.96Å; N153-Q193 PolarHBondContact OD1-O 3.32Å |
| 154 | F | 92.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -51.3 | -25.1 | 173.4 | 74.4 | -103.6 | 0 | 0 | 0 | 114 | C149 D156 W157 L185 P188 L191 | C149-F154 HydrophobicContact CB-CB 4.11Å; C149-F154 PolarHBondContact O-N 3.21Å; C149-F154 VanDerWaalsContact O-N 3.16Å; C149-F154 VanDerWaalsContact SG-CB 3.5Å; F154-D156 PolarHBondContact O-N 3.09Å; F154-W157 WeakPolarHBondContact O-CB 3.24Å; F154-W157 PolarHBondContact O-N 3.14Å; F154-L185 HydrophobicContact CD2-CD2 3.39Å; F154-L185 HydrophobicContact CE2-CD2 3.7Å; F154-L185 HydrophobicContact CG-CD2 4.49Å; F154-P188 HydrophobicContact CE1-CB 4.17Å; F154-P188 HydrophobicContact CZ-CB 3.96Å; F154-L191 HydrophobicContact CB-CD1 4.36Å; F154-L191 HydrophobicContact CD2-CD1 4.41Å; F154-L191 HydrophobicContact CG-CD1 4.28Å |
| 155 | S | 92.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -67.3 | -23.2 | 179.4 | -67.4 | 0 | 0 | 0 | 0 | 113.1 | N153 W157 R158 | N153-S155 PolarHBondContact O-N 3.5Å; S155-W157 PolarHBondContact O-N 3.46Å; S155-R158 VanDerWaalsContact O-CB 3.31Å; S155-R158 WeakPolarHBondContact O-CB 3.5Å; S155-R158 WeakPolarHBondContact O-CG 3.46Å; S155-R158 PolarHBondContact O-N 3.44Å |
| 156 | D | 92.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.4 | -179.7 | -60.7 | -32.5 | 0 | 0 | 0 | 112.3 | I151 H152 N153 F154 R158 H159 | I151-D156 PolarHBondContact N-OD2 3.35Å; H152-D156 WeakPolarHBondContact CA-OD2 3.38Å; H152-D156 PolarHBondContact N-OD2 3.23Å; N153-D156 PolarHBondContact N-OD2 3.38Å; N153-D156 WeakPolarHBondContact O-CB 3.32Å; N153-D156 VanDerWaalsContact O-CG 3.26Å; N153-D156 PolarHBondContact O-N 2.96Å; F154-D156 PolarHBondContact O-N 3.09Å; D156-R158 PolarHBondContact O-N 3.28Å; D156-R158 VanDerWaalsContact O-N 3.1Å; D156-H159 WeakPolarHBondContact O-CB 3.17Å; D156-H159 PolarHBondContact O-N 3.08Å |
| 157 | W | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -54.6 | -29.3 | 173.4 | -75.5 | 110.5 | 0 | 0 | 0 | 112.6 | Y124 Y127 I139 Q143 C149 F154 S155 H159 T160 W162 Y163 V171 P172 C175 | Y124-W157 AromaticContact CD1-CH2 3.89Å; Y124-W157 HydrophobicContact CD1-CH2 3.89Å; Y124-W157 AromaticContact CD1-CZ2 3.96Å; Y124-W157 HydrophobicContact CD1-CZ2 3.96Å; Y124-W157 HydrophobicContact CD1-CZ3 4.3Å; Y124-W157 AromaticContact CE1-CE2 3.85Å; Y124-W157 AromaticContact CE1-CH2 3.83Å; Y124-W157 HydrophobicContact CE1-CH2 3.83Å; Y124-W157 AromaticContact CE1-CZ2 3.44Å; Y124-W157 HydrophobicContact CE1-CZ2 3.44Å; Y124-W157 VanDerWaalsContact CE1-CZ2 3.44Å; Y127-W157 AromaticContact CD1-CH2 3.8Å; Y127-W157 HydrophobicContact CD1-CH2 3.8Å; Y127-W157 AromaticContact CD1-CZ3 3.56Å; Y127-W157 HydrophobicContact CD1-CZ3 3.56Å; Y127-W157 AromaticContact CD2-CH2 3.86Å; Y127-W157 HydrophobicContact CD2-CH2 3.86Å; Y127-W157 HydrophobicContact CD2-CZ3 4.39Å; Y127-W157 AromaticContact CE1-CH2 3.97Å; Y127-W157 HydrophobicContact CE1-CH2 3.97Å; Y127-W157 AromaticContact CE1-CZ3 3.96Å; Y127-W157 HydrophobicContact CE1-CZ3 3.96Å; Y127-W157 HydrophobicContact CE2-CH2 4.03Å; Y127-W157 AromaticContact CG-CH2 3.74Å; Y127-W157 HydrophobicContact CG-CH2 3.74Å; Y127-W157 AromaticContact CG-CZ3 3.81Å; Y127-W157 HydrophobicContact CG-CZ3 3.81Å; I139-W157 HydrophobicContact CG2-CH2 4.04Å; I139-W157 HydrophobicContact CG2-CZ2 3.99Å; Q143-W157 VanDerWaalsContact NE2-CZ2 3.31Å; C149-W157 PolarHBondContact SG-NE1 3.35Å; F154-W157 WeakPolarHBondContact O-CB 3.24Å; F154-W157 PolarHBondContact O-N 3.14Å; S155-W157 PolarHBondContact O-N 3.46Å; W157-H159 PolarHBondContact O-N 3.29Å; W157-H159 VanDerWaalsContact O-N 3.12Å; W157-T160 HydrophobicContact CE3-CG2 4.05Å; W157-T160 HydrophobicContact CZ3-CG2 4.41Å; W157-T160 PolarHBondContact O-N 2.81Å; W157-T160 PolarHBondContact O-OG1 3.3Å; W157-W162 HydrophobicContact CE3-CE3 4.2Å; W157-W162 HydrophobicContact CZ3-CE3 4.37Å; W157-Y163 WeakPolarHBondContact O-CB 3.37Å; W157-V171 HydrophobicContact CB-CG1 3.76Å; W157-V171 HydrophobicContact CG-CB 4.1Å; W157-V171 HydrophobicContact CG-CG1 3.75Å; W157-P172 HydrophobicContact CD2-CG 4.25Å; W157-P172 VanDerWaalsContact CE2-CD 3.4Å; W157-P172 HydrophobicContact CE3-CG 4.22Å; W157-P172 HydrophobicContact CH2-CG 3.48Å; W157-P172 VanDerWaalsContact CH2-CG 3.48Å; W157-P172 HydrophobicContact CZ2-CB 4.39Å; W157-P172 HydrophobicContact CZ2-CG 3.44Å; W157-P172 VanDerWaalsContact CZ2-CG 3.44Å; W157-P172 HydrophobicContact CZ3-CG 3.87Å; W157-C175 PolarHBondContact NE1-SG 2.87Å; W157-C175 VanDerWaalsContact NE1-SG 3.43Å |
| 158 | R | 91.1 | Very high | 90.3 | Very high | 124 Ų | 124 | 62.4 Ų | 62.4 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -62.2 | -23 | 178.1 | -63.9 | -176.4 | -179.4 | -161.8 | 0.9 | 113.5 | S155 D156 Y163 L185 | S155-R158 VanDerWaalsContact O-CB 3.31Å; S155-R158 WeakPolarHBondContact O-CB 3.5Å; S155-R158 WeakPolarHBondContact O-CG 3.46Å; S155-R158 PolarHBondContact O-N 3.44Å; D156-R158 PolarHBondContact O-N 3.28Å; D156-R158 VanDerWaalsContact O-N 3.1Å; R158-Y163 HydrophobicContact CB-CD1 4.37Å; R158-Y163 HydrophobicContact CB-CE1 4.14Å; R158-Y163 HydrophobicContact CG-CE1 3.99Å; R158-Y163 HydrophobicContact CG-CE2 4.44Å; R158-L185 HydrophobicContact CG-CD1 4.45Å |
| 159 | H | 89.2 | Confident | 89.8 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 65% | 0.653 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -89.5 | -19.4 | -177.4 | -61 | -66.3 | 0 | 0 | 0 | 112.9 | D156 W157 K164 | D156-H159 WeakPolarHBondContact O-CB 3.17Å; D156-H159 PolarHBondContact O-N 3.08Å; W157-H159 PolarHBondContact O-N 3.29Å; W157-H159 VanDerWaalsContact O-N 3.12Å; H159-K164 WeakPolarHBondContact O-CE 2.85Å; H159-K164 PolarHBondContact O-NZ 3.14Å |
| 160 | T | 89.1 | Confident | 89.5 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -73.5 | 156.1 | -176.5 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | W157 Y163 K164 | W157-T160 HydrophobicContact CE3-CG2 4.05Å; W157-T160 HydrophobicContact CZ3-CG2 4.41Å; W157-T160 PolarHBondContact O-N 2.81Å; W157-T160 PolarHBondContact O-OG1 3.3Å; T160-Y163 PolarHBondContact OG1-N 2.94Å; T160-K164 WeakPolarHBondContact O-CG 3.36Å; T160-K164 PolarHBondContact O-N 3.48Å |
| 161 | H | 89.2 | Confident | 89.5 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.1 | -163.7 | -97.9 | 0 | 0 | 0 | 111.6 | Y163 K164 E165 | H161-Y163 VanDerWaalsContact C-N 3.33Å; H161-Y163 PolarHBondContact O-N 3.49Å; H161-K164 WeakPolarHBondContact O-CB 3.43Å; H161-K164 PolarHBondContact O-N 2.94Å; H161-E165 IonicContact CE1-OE1 2.97Å; H161-E165 PolarHBondContact CE1-OE1 3.31Å; H161-E165 IonicContact CE1-OE2 3.51Å; H161-E165 IonicContact ND1-OE1 3.42Å; H161-E165 PolarHBondContact ND1-OE1 2.86Å; H161-E165 IonicContact ND1-OE2 3.04Å; H161-E165 PolarHBondContact ND1-OE2 2.96Å; H161-E165 PolarHBondContact O-N 3.07Å |
| 162 | W | 90.1 | Very high | 89.5 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54 | -44.6 | -179.6 | 177.7 | 83.6 | 0 | 0 | 0 | 113.6 | Y127 W157 K164 E165 S166 S170 P172 | Y127-W162 HydrophobicContact CD1-CB 4.02Å; Y127-W162 HydrophobicContact CD1-CD2 4Å; Y127-W162 AromaticContact CD1-CG 3.72Å; Y127-W162 HydrophobicContact CD1-CG 3.72Å; Y127-W162 AromaticContact CE1-CD2 3.84Å; Y127-W162 HydrophobicContact CE1-CD2 3.84Å; Y127-W162 AromaticContact CE1-CE2 3.89Å; Y127-W162 HydrophobicContact CE1-CE3 4.38Å; Y127-W162 AromaticContact CE1-CG 3.97Å; Y127-W162 HydrophobicContact CE1-CG 3.97Å; Y127-W162 HydrophobicContact CE1-CZ2 4.46Å; Y127-W162 AromaticContact CE1-NE1 3.99Å; Y127-W162 WeakPolarHBondContact O-CB 3.48Å; W157-W162 HydrophobicContact CE3-CE3 4.2Å; W157-W162 HydrophobicContact CZ3-CE3 4.37Å; W162-K164 PolarHBondContact O-N 3.19Å; W162-E165 PolarHBondContact O-N 3.39Å; W162-S166 WeakPolarHBondContact O-CB 3.41Å; W162-S166 PolarHBondContact O-N 3.16Å; W162-S166 PolarHBondContact O-OG 3.34Å; W162-S170 WeakPolarHBondContact CZ3-O 3.26Å; W162-P172 HydrophobicContact CH2-CG 4.17Å; W162-P172 HydrophobicContact CZ3-CG 4.14Å |
| 163 | Y | 90.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 14% | 0.137 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 179.5 | 177 | -88.5 | 0 | 0 | 0 | 112.3 | W157 R158 T160 H161 E165 S166 K167 N169 S170 L185 | W157-Y163 WeakPolarHBondContact O-CB 3.37Å; R158-Y163 HydrophobicContact CB-CD1 4.37Å; R158-Y163 HydrophobicContact CB-CE1 4.14Å; R158-Y163 HydrophobicContact CG-CE1 3.99Å; R158-Y163 HydrophobicContact CG-CE2 4.44Å; T160-Y163 PolarHBondContact OG1-N 2.94Å; H161-Y163 VanDerWaalsContact C-N 3.33Å; H161-Y163 PolarHBondContact O-N 3.49Å; Y163-E165 VanDerWaalsContact C-N 3.29Å; Y163-E165 PolarHBondContact O-N 3.32Å; Y163-S166 PolarHBondContact O-OG 3.3Å; Y163-K167 PolarHBondContact O-N 3.24Å; Y163-N169 PolarHBondContact OH-OD1 2.99Å; Y163-S170 WeakPolarHBondContact CD2-O 3.37Å; Y163-L185 HydrophobicContact CE2-CD1 3.63Å; Y163-L185 WeakPolarHBondContact OH-CD1 3.42Å |
| 164 | K | 88.8 | Confident | 89.5 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.2 | -34.5 | 177.2 | -66.5 | 171.1 | -170.4 | 159.7 | 0 | 111.5 | H159 T160 H161 W162 | H159-K164 WeakPolarHBondContact O-CE 2.85Å; H159-K164 PolarHBondContact O-NZ 3.14Å; T160-K164 WeakPolarHBondContact O-CG 3.36Å; T160-K164 PolarHBondContact O-N 3.48Å; H161-K164 WeakPolarHBondContact O-CB 3.43Å; H161-K164 PolarHBondContact O-N 2.94Å; W162-K164 PolarHBondContact O-N 3.19Å |
| 165 | E | 87.9 | Confident | 89.6 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -77.6 | -40.2 | 177.3 | -69.7 | -173.2 | 132.1 | 0 | 0 | 113.1 | H161 W162 Y163 K167 | H161-E165 IonicContact CE1-OE1 2.97Å; H161-E165 PolarHBondContact CE1-OE1 3.31Å; H161-E165 IonicContact CE1-OE2 3.51Å; H161-E165 IonicContact ND1-OE1 3.42Å; H161-E165 PolarHBondContact ND1-OE1 2.86Å; H161-E165 IonicContact ND1-OE2 3.04Å; H161-E165 PolarHBondContact ND1-OE2 2.96Å; H161-E165 PolarHBondContact O-N 3.07Å; W162-E165 PolarHBondContact O-N 3.39Å; Y163-E165 VanDerWaalsContact C-N 3.29Å; Y163-E165 PolarHBondContact O-N 3.32Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.34Å |
| 166 | S | 83.4 | Confident | 89.8 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -30 | -175.2 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | W162 Y163 N168 | W162-S166 WeakPolarHBondContact O-CB 3.41Å; W162-S166 PolarHBondContact O-N 3.16Å; W162-S166 PolarHBondContact O-OG 3.34Å; Y163-S166 PolarHBondContact O-OG 3.3Å; S166-N168 PolarHBondContact O-N 3.11Å; S166-N168 PolarHBondContact OG-OD1 3.37Å; S166-N168 VanDerWaalsContact OG-OD1 3.08Å |
| 167 | K | 77.6 | Confident | 89.8 | Confident | 187 Ų | 187 | 66.1 Ų | 66.1 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | trans | 51.3 | 16.8 | 178.5 | -62.7 | -176.9 | -178.2 | 179 | 0 | 115.2 | Y163 E165 | Y163-K167 PolarHBondContact O-N 3.24Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.34Å | ||
| 168 | N | 81.1 | Confident | 89.8 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -99.7 | 4.1 | -172.9 | 65 | 9 | 0 | 0 | 0 | 113.3 | S166 S170 | S166-N168 PolarHBondContact O-N 3.11Å; S166-N168 PolarHBondContact OG-OD1 3.37Å; S166-N168 VanDerWaalsContact OG-OD1 3.08Å; N168-S170 PolarHBondContact ND2-OG 3.28Å; N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 VanDerWaalsContact O-N 3.14Å; N168-S170 PolarHBondContact OD1-N 3.1Å; N168-S170 VanDerWaalsContact OD1-N 3.09Å; N168-S170 PolarHBondContact OD1-OG 3.33Å |
| 169 | N | 86.3 | Confident | 89.6 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 50 | 35.6 | -177.6 | -163.8 | 43.1 | 0 | 0 | 0 | 113.2 | Y163 L185 | Y163-N169 PolarHBondContact OH-OD1 2.99Å; N169-L185 WeakPolarHBondContact O-CB 3.27Å; N169-L185 WeakPolarHBondContact O-CG 3.14Å; N169-L185 PolarHBondContact O-N 3.25Å; N169-L185 WeakPolarHBondContact OD1-CD1 3.35Å |
| 170 | S | 90.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -126.3 | 154.7 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 111.9 | W162 Y163 N168 G183 | W162-S170 WeakPolarHBondContact CZ3-O 3.26Å; Y163-S170 WeakPolarHBondContact CD2-O 3.37Å; N168-S170 PolarHBondContact ND2-OG 3.28Å; N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 VanDerWaalsContact O-N 3.14Å; N168-S170 PolarHBondContact OD1-N 3.1Å; N168-S170 VanDerWaalsContact OD1-N 3.09Å; N168-S170 PolarHBondContact OD1-OG 3.33Å; S170-G183 CarbonylContact C-O 3.03Å; S170-G183 WeakPolarHBondContact CA-O 3.4Å; S170-G183 VanDerWaalsContact CB-O 3.31Å; S170-G183 WeakPolarHBondContact CB-O 3.2Å |
| 171 | V | 93.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | trans | -96.9 | 166.8 | 169.2 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | W157 C175 G183 L185 L191 | W157-V171 HydrophobicContact CB-CG1 3.76Å; W157-V171 HydrophobicContact CG-CB 4.1Å; W157-V171 HydrophobicContact CG-CG1 3.75Å; V171-C175 HydrophobicContact CB-CB 4.48Å; V171-C175 HydrophobicContact CG2-CB 3.65Å; V171-G183 WeakPolarHBondContact CG2-O 3.35Å; V171-G183 PolarHBondContact N-O 3.05Å; V171-L185 HydrophobicContact CG1-CD2 3.8Å; V171-L185 HydrophobicContact CG1-CG 4.36Å; V171-L191 HydrophobicContact CG2-CD1 3.81Å; V171-L191 HydrophobicContact CG2-CD2 3.77Å; V171-L191 HydrophobicContact CG2-CG 4.42Å | ||
| 172 | P | 93.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.032 | 37% | 0.366 | C | S | . | . | trans | -54.3 | 145.9 | 174.6 | -32.2 | 42.1 | 0 | 0 | 0 | 113.6 | Y127 W157 W162 S174 C175 | Y127-P172 HydrophobicContact CE1-CG 3.7Å; Y127-P172 HydrophobicContact CE2-CG 4.43Å; Y127-P172 WeakPolarHBondContact OH-CB 3.5Å; Y127-P172 VanDerWaalsContact OH-CG 3.32Å; Y127-P172 WeakPolarHBondContact OH-CG 3.13Å; W157-P172 HydrophobicContact CD2-CG 4.25Å; W157-P172 VanDerWaalsContact CE2-CD 3.4Å; W157-P172 HydrophobicContact CE3-CG 4.22Å; W157-P172 HydrophobicContact CH2-CG 3.48Å; W157-P172 VanDerWaalsContact CH2-CG 3.48Å; W157-P172 HydrophobicContact CZ2-CB 4.39Å; W157-P172 HydrophobicContact CZ2-CG 3.44Å; W157-P172 VanDerWaalsContact CZ2-CG 3.44Å; W157-P172 HydrophobicContact CZ3-CG 3.87Å; W162-P172 HydrophobicContact CH2-CG 4.17Å; W162-P172 HydrophobicContact CZ3-CG 4.14Å; P172-S174 VanDerWaalsContact CB-OG 3.25Å; P172-S174 WeakPolarHBondContact CB-OG 3.49Å; P172-S174 PolarHBondContact O-N 3.41Å; P172-S174 VanDerWaalsContact O-N 3.13Å; P172-C175 VanDerWaalsContact O-CB 3.27Å; P172-C175 WeakPolarHBondContact O-CB 3.43Å; P172-C175 PolarHBondContact O-N 2.76Å | ||
| 173 | I | 93.5 | Very high | 89.6 | Confident | 116 Ų | 116 | 64.5 Ų | 64.5 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.9 | -179.2 | -59 | 169.6 | 0 | 0 | 0 | 111.3 | C175 C176 | I173-C175 PolarHBondContact O-N 3.42Å; I173-C176 WeakPolarHBondContact O-CB 3.27Å; I173-C176 PolarHBondContact O-N 2.85Å |
| 174 | S | 94.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -58.9 | -22.1 | 170.6 | 40.2 | 0 | 0 | 0 | 0 | 114 | D140 Q143 P172 C176 | D140-S174 VanDerWaalsContact CG-OG 3.32Å; D140-S174 WeakPolarHBondContact OD1-CB 3.39Å; D140-S174 PolarHBondContact OD1-OG 3Å; Q143-S174 PolarHBondContact OE1-OG 3.07Å; P172-S174 VanDerWaalsContact CB-OG 3.25Å; P172-S174 WeakPolarHBondContact CB-OG 3.49Å; P172-S174 PolarHBondContact O-N 3.41Å; P172-S174 VanDerWaalsContact O-N 3.13Å; S174-C176 VanDerWaalsContact C-N 3.32Å |
| 175 | C | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -79.1 | -7.5 | 172.5 | -75.7 | 0 | 0 | 0 | 0 | 114.8 | Q143 C149 W157 V171 P172 I173 L191 Y192 | Q143-C175 VanDerWaalsContact CD-SG 3.51Å; Q143-C175 PolarHBondContact NE2-SG 3.43Å; Q143-C175 VanDerWaalsContact NE2-SG 3.45Å; Q143-C175 PolarHBondContact OE1-SG 3.05Å; C149-C175 VanDerWaalsContact CA-SG 3.57Å; C149-C175 HydrophobicContact CB-CB 3.63Å; C149-C175 WeakPolarHBondContact CB-SG 3.26Å; C149-C175 WeakPolarHBondContact SG-CB 3.32Å; C149-C175 CovalentContact SG-SG 2.03Å; C149-C175 PolarHBondContact SG-SG 3.48Å; W157-C175 PolarHBondContact NE1-SG 2.87Å; W157-C175 VanDerWaalsContact NE1-SG 3.43Å; V171-C175 HydrophobicContact CB-CB 4.48Å; V171-C175 HydrophobicContact CG2-CB 3.65Å; P172-C175 VanDerWaalsContact O-CB 3.27Å; P172-C175 WeakPolarHBondContact O-CB 3.43Å; P172-C175 PolarHBondContact O-N 2.76Å; I173-C175 PolarHBondContact O-N 3.42Å; C175-L191 HydrophobicContact CB-CD2 4.41Å; C175-L191 WeakPolarHBondContact O-CA 3.41Å; C175-Y192 WeakPolarHBondContact O-CD2 3.26Å; C175-Y192 PolarHBondContact O-N 3.15Å |
| 176 | C | 95.4 | Very high | 89.7 | Confident | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 131.2 | -175.7 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | I173 S174 C181 Y192 | I173-C176 WeakPolarHBondContact O-CB 3.27Å; I173-C176 PolarHBondContact O-N 2.85Å; S174-C176 VanDerWaalsContact C-N 3.32Å; C176-C181 HydrophobicContact CB-CB 3.46Å; C176-C181 VanDerWaalsContact CB-CB 3.46Å; C176-C181 WeakPolarHBondContact CB-SG 3.5Å; C176-C181 VanDerWaalsContact SG-C 3.52Å; C176-C181 WeakPolarHBondContact SG-CB 3.42Å; C176-C181 PolarHBondContact SG-O 2.95Å; C176-C181 VanDerWaalsContact SG-O 3.41Å; C176-C181 CovalentContact SG-SG 2.04Å; C176-C181 PolarHBondContact SG-SG 3.38Å; C176-Y192 WeakPolarHBondContact O-CE2 3.29Å |
| 177 | K | 94.5 | Very high | 89.9 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -84.8 | -29.6 | 176.4 | -176.9 | 179.3 | 177.8 | -176.6 | 0 | 113.2 | D190 Y192 | K177-D190 VanDerWaalsContact CB-O 3.31Å; K177-D190 WeakPolarHBondContact CB-O 3.39Å; K177-D190 PolarHBondContact N-O 2.91Å; K177-Y192 HydrophobicContact CB-CD1 4.08Å; K177-Y192 HydrophobicContact CB-CE1 3.79Å; K177-Y192 HydrophobicContact CG-CD1 4.28Å; K177-Y192 HydrophobicContact CG-CE1 3.81Å |
| 178 | I | 91.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -117.9 | 157 | -175.3 | 65.3 | 164.8 | 0 | 0 | 0 | 112.3 | C181 D190 | I178-C181 HydrophobicContact CG1-CB 3.97Å; I178-C181 WeakPolarHBondContact O-CB 3.12Å; I178-D190 HydrophobicContact CD1-CB 4.16Å; I178-D190 VanDerWaalsContact CD1-CG 3.49Å; I178-D190 VanDerWaalsContact CD1-OD1 3.24Å; I178-D190 WeakPolarHBondContact CD1-OD1 3.49Å; I178-D190 HydrophobicContact CG1-CB 4.08Å |
| 179 | A | 86.8 | Confident | 90.9 | Very high | 105 Ų | 105 | 54.2 Ų | 54.2 | 87% | 0.868 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 137.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C181 | A179-C181 VanDerWaalsContact C-N 3.34Š|
| 180 | G | 86.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 53 Ų | 53 | 81% | 0.814 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -0.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 181 | C | 90.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | trans | -65.7 | 135.5 | 170.7 | 160.4 | 0 | 0 | 0 | 0 | 111.1 | C176 I178 A179 G183 D190 | C176-C181 HydrophobicContact CB-CB 3.46Å; C176-C181 VanDerWaalsContact CB-CB 3.46Å; C176-C181 WeakPolarHBondContact CB-SG 3.5Å; C176-C181 VanDerWaalsContact SG-C 3.52Å; C176-C181 WeakPolarHBondContact SG-CB 3.42Å; C176-C181 PolarHBondContact SG-O 2.95Å; C176-C181 VanDerWaalsContact SG-O 3.41Å; C176-C181 CovalentContact SG-SG 2.04Å; C176-C181 PolarHBondContact SG-SG 3.38Å; I178-C181 HydrophobicContact CG1-CB 3.97Å; I178-C181 WeakPolarHBondContact O-CB 3.12Å; A179-C181 VanDerWaalsContact C-N 3.34Å; C181-G183 PolarHBondContact SG-N 2.96Å; C181-G183 VanDerWaalsContact SG-N 3.43Å; C181-D190 HydrophobicContact CB-CB 4.33Å | ||
| 182 | T | 89.5 | Confident | 91.6 | Very high | 104 Ų | 104 | 54 Ų | 54 | 64% | 0.638 | 32% | 0.319 | S | S | * | . | trans | -100 | 2.9 | -178.3 | 55.9 | 0 | 0 | 0 | 0 | 113 | S184 | T182-S184 VanDerWaalsContact C-N 3.25Å; T182-S184 PolarHBondContact O-N 3.47Å | ||
| 183 | G | 90.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | 77.2 | 6.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | S170 V171 C181 L185 | S170-G183 CarbonylContact C-O 3.03Å; S170-G183 WeakPolarHBondContact CA-O 3.4Å; S170-G183 VanDerWaalsContact CB-O 3.31Å; S170-G183 WeakPolarHBondContact CB-O 3.2Å; V171-G183 WeakPolarHBondContact CG2-O 3.35Å; V171-G183 PolarHBondContact N-O 3.05Å; C181-G183 PolarHBondContact SG-N 2.96Å; C181-G183 VanDerWaalsContact SG-N 3.43Å; G183-L185 PolarHBondContact O-N 3.4Å | ||
| 184 | S | 91.2 | Very high | 91.6 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 132.1 | -176 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | T182 T186 H187 | T182-S184 VanDerWaalsContact C-N 3.25Å; T182-S184 PolarHBondContact O-N 3.47Å; S184-T186 PolarHBondContact O-N 3.43Å; S184-T186 PolarHBondContact OG-N 3.15Å; S184-T186 PolarHBondContact OG-OG1 3.39Å; S184-H187 PolarHBondContact O-N 2.92Å |
| 185 | L | 89.1 | Confident | 91.6 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.5 | 173.7 | -68.4 | 174.1 | 0 | 0 | 0 | 113.7 | F154 R158 Y163 N169 V171 G183 H187 L191 | F154-L185 HydrophobicContact CD2-CD2 3.39Å; F154-L185 HydrophobicContact CE2-CD2 3.7Å; F154-L185 HydrophobicContact CG-CD2 4.49Å; R158-L185 HydrophobicContact CG-CD1 4.45Å; Y163-L185 HydrophobicContact CE2-CD1 3.63Å; Y163-L185 WeakPolarHBondContact OH-CD1 3.42Å; N169-L185 WeakPolarHBondContact O-CB 3.27Å; N169-L185 WeakPolarHBondContact O-CG 3.14Å; N169-L185 PolarHBondContact O-N 3.25Å; N169-L185 WeakPolarHBondContact OD1-CD1 3.35Å; V171-L185 HydrophobicContact CG1-CD2 3.8Å; V171-L185 HydrophobicContact CG1-CG 4.36Å; G183-L185 PolarHBondContact O-N 3.4Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-L191 HydrophobicContact CD2-CD1 4.16Å |
| 186 | T | 88.1 | Confident | 91.6 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.9 | 173.9 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | S184 P188 | S184-T186 PolarHBondContact O-N 3.43Å; S184-T186 PolarHBondContact OG-N 3.15Å; S184-T186 PolarHBondContact OG-OG1 3.39Å; T186-P188 VanDerWaalsContact C-CD 3.43Å; T186-P188 WeakPolarHBondContact O-CD 3.44Å |
| 187 | H | 88.4 | Confident | 91.4 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 43% | 0.431 | 34% | 0.34 | S | S | . | . | trans | -123.1 | 66.9 | 178.9 | -65.9 | -64.6 | 0 | 0 | 0 | 110.1 | S184 L185 E189 D190 | S184-H187 PolarHBondContact O-N 2.92Å; L185-H187 VanDerWaalsContact C-N 3.32Å; H187-E189 VanDerWaalsContact C-OE2 3.28Å; H187-E189 WeakPolarHBondContact CA-OE2 3.26Å; H187-E189 IonicContact CG-OE1 3.71Å; H187-E189 IonicContact ND1-OE1 3.04Å; H187-E189 PolarHBondContact ND1-OE1 2.81Å; H187-E189 PolarHBondContact O-N 3.21Å; H187-E189 VanDerWaalsContact O-N 3.17Å; H187-D190 PolarHBondContact O-N 2.99Å; H187-D190 VanDerWaalsContact O-N 3.13Å | ||
| 188 | P | 89 | Confident | 91.2 | Very high | 43 Ų | 43 | 56 Ų | 56 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -61.8 | -22 | -178.1 | 28 | -36.3 | 0 | 0 | 0 | 113.1 | F154 T186 D190 L191 Q193 | F154-P188 HydrophobicContact CE1-CB 4.17Å; F154-P188 HydrophobicContact CZ-CB 3.96Å; T186-P188 VanDerWaalsContact C-CD 3.43Å; T186-P188 WeakPolarHBondContact O-CD 3.44Å; P188-D190 PolarHBondContact O-N 3.29Å; P188-L191 PolarHBondContact O-N 2.88Å; P188-L191 VanDerWaalsContact O-N 3.13Å; P188-Q193 PolarHBondContact O-NE2 3Å |
| 189 | E | 91.4 | Very high | 91.3 | Very high | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -60 | -25.2 | 174.8 | 62.2 | -83.8 | -166.9 | 0 | 0 | 113.9 | H187 L191 | H187-E189 VanDerWaalsContact C-OE2 3.28Å; H187-E189 WeakPolarHBondContact CA-OE2 3.26Å; H187-E189 IonicContact CG-OE1 3.71Å; H187-E189 IonicContact ND1-OE1 3.04Å; H187-E189 PolarHBondContact ND1-OE1 2.81Å; H187-E189 PolarHBondContact O-N 3.21Å; H187-E189 VanDerWaalsContact O-N 3.17Å; E189-L191 VanDerWaalsContact C-N 3.34Å |
| 190 | D | 93.6 | Very high | 91.5 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86.6 | -7 | 179.7 | -66.8 | -19.4 | 0 | 0 | 0 | 112.8 | K177 I178 C181 H187 P188 | K177-D190 VanDerWaalsContact CB-O 3.31Å; K177-D190 WeakPolarHBondContact CB-O 3.39Å; K177-D190 PolarHBondContact N-O 2.91Å; I178-D190 HydrophobicContact CD1-CB 4.16Å; I178-D190 VanDerWaalsContact CD1-CG 3.49Å; I178-D190 VanDerWaalsContact CD1-OD1 3.24Å; I178-D190 WeakPolarHBondContact CD1-OD1 3.49Å; I178-D190 HydrophobicContact CG1-CB 4.08Å; C181-D190 HydrophobicContact CB-CB 4.33Å; H187-D190 PolarHBondContact O-N 2.99Å; H187-D190 VanDerWaalsContact O-N 3.13Å; P188-D190 PolarHBondContact O-N 3.29Å |
| 191 | L | 95.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 153 | -177.6 | -55.4 | 179.1 | 0 | 0 | 0 | 111.5 | F154 V171 C175 L185 P188 E189 Q193 | F154-L191 HydrophobicContact CB-CD1 4.36Å; F154-L191 HydrophobicContact CD2-CD1 4.41Å; F154-L191 HydrophobicContact CG-CD1 4.28Å; V171-L191 HydrophobicContact CG2-CD1 3.81Å; V171-L191 HydrophobicContact CG2-CD2 3.77Å; V171-L191 HydrophobicContact CG2-CG 4.42Å; C175-L191 HydrophobicContact CB-CD2 4.41Å; C175-L191 WeakPolarHBondContact O-CA 3.41Å; L185-L191 HydrophobicContact CD2-CD1 4.16Å; P188-L191 PolarHBondContact O-N 2.88Å; P188-L191 VanDerWaalsContact O-N 3.13Å; E189-L191 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 2.83Å |
| 192 | Y | 95.3 | Very high | 91.6 | Very high | 31 Ų | 31 | 53 Ų | 53 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | trans | -64.9 | 129.7 | 166.7 | -61.6 | -59.6 | 0 | 0 | 0 | 110.5 | Q147 C149 C175 C176 K177 | Q147-Y192 HydrophobicContact CB-CD1 3.94Å; Q147-Y192 HydrophobicContact CB-CE1 3.49Å; Q147-Y192 VanDerWaalsContact CB-CE1 3.49Å; Q147-Y192 HydrophobicContact CB-CE2 4.33Å; Q147-Y192 HydrophobicContact CG-CE1 4.1Å; Q147-Y192 WeakPolarHBondContact O-CD1 3.32Å; Q147-Y192 VanDerWaalsContact O-CG 3.27Å; C149-Y192 VanDerWaalsContact CB-O 3.26Å; C149-Y192 WeakPolarHBondContact CB-O 3.49Å; C175-Y192 WeakPolarHBondContact O-CD2 3.26Å; C175-Y192 PolarHBondContact O-N 3.15Å; C176-Y192 WeakPolarHBondContact O-CE2 3.29Å; K177-Y192 HydrophobicContact CB-CD1 4.08Å; K177-Y192 HydrophobicContact CB-CE1 3.79Å; K177-Y192 HydrophobicContact CG-CD1 4.28Å; K177-Y192 HydrophobicContact CG-CE1 3.81Å | ||
| 193 | Q | 93.1 | Very high | 91.7 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | trans | -92.1 | -23.5 | -177.4 | -65.4 | -70.3 | -35.4 | 0 | 0 | 112.5 | N153 P188 L191 | N153-Q193 PolarHBondContact OD1-O 3.32Å; P188-Q193 PolarHBondContact O-NE2 3Å; L191-Q193 PolarHBondContact O-N 2.83Å | ||
| 194 | E | 94.7 | Very high | 91.5 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 58% | 0.575 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.3 | 134.7 | -179.3 | -62.6 | -67.1 | 161.8 | 0 | 0 | 110.4 | C148 C149 L199 | C148-E194 CarbonylContact C-O 3.26Å; C148-E194 VanDerWaalsContact CA-O 3.27Å; C148-E194 WeakPolarHBondContact CA-O 3.41Å; C148-E194 VanDerWaalsContact CB-O 3.3Å; C148-E194 WeakPolarHBondContact CB-O 3.2Å; C149-E194 PolarHBondContact N-O 3.49Å; E194-L199 HydrophobicContact CB-CD1 3.88Å |
| 195 | G | 93.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -71.8 | 144.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | I151 H152 E197 L199 | I151-G195 CarbonylContact O-C 3.36Å; I151-G195 VanDerWaalsContact O-C 3.26Å; I151-G195 VanDerWaalsContact O-CA 3.26Å; I151-G195 WeakPolarHBondContact O-CA 3.02Å; H152-G195 WeakPolarHBondContact O-CA 3.41Å; H152-G195 PolarHBondContact O-N 2.9Å; H152-G195 VanDerWaalsContact O-N 3.1Å; G195-E197 VanDerWaalsContact C-N 3.35Å; G195-E197 PolarHBondContact O-N 2.91Å; G195-L199 WeakPolarHBondContact O-CD1 3.37Å | ||
| 196 | C | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.5 | -27.7 | -178.1 | -66.1 | 0 | 0 | 0 | 0 | 113.8 | V142 C148 G150 I151 L199 V200 | V142-C196 HydrophobicContact CG1-CB 4.33Å; C148-C196 VanDerWaalsContact C-SG 3.56Å; C148-C196 HydrophobicContact CB-CB 3.94Å; C148-C196 WeakPolarHBondContact CB-SG 3.49Å; C148-C196 WeakPolarHBondContact SG-CA 3.34Å; C148-C196 WeakPolarHBondContact SG-CB 3.26Å; C148-C196 CovalentContact SG-SG 2.04Å; C148-C196 PolarHBondContact SG-SG 3.31Å; G150-C196 VanDerWaalsContact O-CB 3.29Å; G150-C196 WeakPolarHBondContact O-CB 3.47Å; G150-C196 PolarHBondContact O-N 3.45Å; G150-C196 PolarHBondContact O-SG 2.99Å; I151-C196 PolarHBondContact O-N 2.92Å; I151-C196 VanDerWaalsContact O-N 3.08Å; C196-L199 PolarHBondContact O-N 3.02Å; C196-V200 WeakPolarHBondContact O-CB 3.37Å; C196-V200 WeakPolarHBondContact O-CG2 3.48Å; C196-V200 PolarHBondContact O-N 3.27Å |
| 197 | E | 91.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -53.8 | -178.5 | -176.9 | -172.1 | 143 | 0 | 0 | 111.6 | N117 I120 I151 H152 G195 L199 V200 V201 | N117-E197 PolarHBondContact ND2-OE1 3.36Å; N117-E197 VanDerWaalsContact OD1-CG 3.28Å; N117-E197 WeakPolarHBondContact OD1-CG 3.33Å; N117-E197 PolarHBondContact OD1-OE1 3.48Å; I120-E197 HydrophobicContact CD1-CG 4.5Å; I151-E197 HydrophobicContact CG2-CB 4.17Å; I151-E197 WeakPolarHBondContact CG2-OE2 2.91Å; I151-E197 WeakPolarHBondContact O-CB 3.48Å; I151-E197 PolarHBondContact O-N 2.7Å; H152-E197 IonicContact CE1-OE2 2.91Å; H152-E197 PolarHBondContact CE1-OE2 3.42Å; H152-E197 IonicContact ND1-OE2 3.38Å; H152-E197 PolarHBondContact ND1-OE2 2.97Å; H152-E197 IonicContact NE2-OE2 3.87Å; G195-E197 VanDerWaalsContact C-N 3.35Å; G195-E197 PolarHBondContact O-N 2.91Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.87Å; E197-V200 PolarHBondContact O-N 3.4Å; E197-V201 WeakPolarHBondContact O-CG2 3.34Å; E197-V201 PolarHBondContact O-N 3.04Å |
| 198 | A | 90.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 55% | 0.554 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | K202 | A198-K202 VanDerWaalsContact O-CB 3.26Å; A198-K202 WeakPolarHBondContact O-CB 3.32Å; A198-K202 PolarHBondContact O-N 3.48Å |
| 199 | L | 93 | Very high | 91.1 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.8 | -37.9 | 178.5 | -84.8 | 76.5 | 0 | 0 | 0 | 112.2 | L146 C148 E194 G195 C196 E197 K202 K203 | L146-L199 HydrophobicContact CB-CB 4.42Å; L146-L199 HydrophobicContact CB-CD2 4.3Å; L146-L199 HydrophobicContact CD1-CB 4.27Å; L146-L199 WeakPolarHBondContact O-CD2 3.49Å; C148-L199 HydrophobicContact CB-CD2 4.35Å; E194-L199 HydrophobicContact CB-CD1 3.88Å; G195-L199 WeakPolarHBondContact O-CD1 3.37Å; C196-L199 PolarHBondContact O-N 3.02Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.87Å; L199-K202 PolarHBondContact O-N 2.92Å; L199-K203 WeakPolarHBondContact O-CB 3.44Å; L199-K203 VanDerWaalsContact O-CG 3.26Å; L199-K203 WeakPolarHBondContact O-CG 3.4Å; L199-K203 PolarHBondContact O-N 3.24Å |
| 200 | V | 91.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 68 Ų | 68 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | V116 I120 V142 L146 C196 E197 K202 K203 L204 | V116-V200 HydrophobicContact CG1-CG1 4.16Å; I120-V200 HydrophobicContact CD1-CB 4.25Å; I120-V200 HydrophobicContact CD1-CG1 4.17Å; I120-V200 HydrophobicContact CD1-CG2 4.45Å; V142-V200 HydrophobicContact CG1-CG2 3.99Å; L146-V200 HydrophobicContact CD1-CB 4.41Å; L146-V200 HydrophobicContact CD1-CG2 3.51Å; C196-V200 WeakPolarHBondContact O-CB 3.37Å; C196-V200 WeakPolarHBondContact O-CG2 3.48Å; C196-V200 PolarHBondContact O-N 3.27Å; E197-V200 PolarHBondContact O-N 3.4Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.36Å; V200-K203 PolarHBondContact O-N 3.14Å; V200-K203 VanDerWaalsContact O-N 3.15Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.32Å; V200-L204 WeakPolarHBondContact O-CG 3.22Å; V200-L204 PolarHBondContact O-N 3.32Å |
| 201 | V | 89.4 | Confident | 90.9 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | E197 K203 L204 Q205 | E197-V201 WeakPolarHBondContact O-CG2 3.34Å; E197-V201 PolarHBondContact O-N 3.04Å; V201-K203 VanDerWaalsContact C-N 3.33Å; V201-K203 PolarHBondContact O-N 2.95Å; V201-L204 PolarHBondContact O-N 3.5Å; V201-Q205 WeakPolarHBondContact O-CG 3.48Å; V201-Q205 PolarHBondContact O-N 3.26Å |
| 202 | K | 90.4 | Very high | 90.6 | Very high | 124 Ų | 124 | 74 Ų | 74 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.3 | -177.4 | -179.4 | 177.4 | -178.1 | 0 | 112 | A198 L199 V200 Q205 E206 | A198-K202 VanDerWaalsContact O-CB 3.26Å; A198-K202 WeakPolarHBondContact O-CB 3.32Å; A198-K202 PolarHBondContact O-N 3.48Å; L199-K202 PolarHBondContact O-N 2.92Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.36Å; K202-Q205 PolarHBondContact O-N 3.32Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 2.89Å |
| 203 | K | 90.3 | Very high | 90.4 | Very high | 94 Ų | 94 | 80.3 Ų | 80.3 | 41% | 0.409 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 177.6 | -77.6 | -75.1 | 166.6 | -153.4 | 0 | 112.3 | L146 L199 V200 V201 Q205 E206 I207 | L146-K203 HydrophobicContact CD2-CD 4.3Å; L146-K203 HydrophobicContact CD2-CG 3.78Å; L199-K203 WeakPolarHBondContact O-CB 3.44Å; L199-K203 VanDerWaalsContact O-CG 3.26Å; L199-K203 WeakPolarHBondContact O-CG 3.4Å; L199-K203 PolarHBondContact O-N 3.24Å; V200-K203 PolarHBondContact O-N 3.14Å; V200-K203 VanDerWaalsContact O-N 3.15Å; V201-K203 VanDerWaalsContact C-N 3.33Å; V201-K203 PolarHBondContact O-N 2.95Å; K203-Q205 VanDerWaalsContact C-N 3.32Å; K203-Q205 PolarHBondContact O-N 3.47Å; K203-E206 IonicContact NZ-OE2 2.76Å; K203-E206 PolarHBondContact NZ-OE2 3.2Å; K203-E206 PolarHBondContact O-N 3.28Å; K203-I207 VanDerWaalsContact O-CG1 3.26Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 2.93Å |
| 204 | L | 87.5 | Confident | 90.4 | Very high | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.356 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174 | -72.1 | 173.5 | 0 | 0 | 0 | 111.2 | V116 V200 V201 I207 M208 | V116-L204 HydrophobicContact CG1-CD1 4.05Å; V116-L204 HydrophobicContact CG2-CD1 3.91Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 VanDerWaalsContact O-CG 3.32Å; V200-L204 WeakPolarHBondContact O-CG 3.22Å; V200-L204 PolarHBondContact O-N 3.32Å; V201-L204 PolarHBondContact O-N 3.5Å; L204-I207 PolarHBondContact O-N 2.87Å; L204-M208 WeakPolarHBondContact O-CB 3.32Å; L204-M208 WeakPolarHBondContact O-CG 3.41Å; L204-M208 PolarHBondContact O-N 3.15Å |
| 205 | Q | 86.8 | Confident | 90.2 | Very high | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.4 | -71.7 | 177.2 | -10.1 | 0 | 0 | 112.6 | E113 V201 K202 K203 M208 M209 | E113-Q205 PolarHBondContact OE1-NE2 3.02Å; V201-Q205 WeakPolarHBondContact O-CG 3.48Å; V201-Q205 PolarHBondContact O-N 3.26Å; K202-Q205 PolarHBondContact O-N 3.32Å; K203-Q205 VanDerWaalsContact C-N 3.32Å; K203-Q205 PolarHBondContact O-N 3.47Å; Q205-M208 HydrophobicContact CG-CE 4.05Å; Q205-M208 PolarHBondContact O-N 2.93Å; Q205-M209 PolarHBondContact O-N 2.68Å; Q205-M209 VanDerWaalsContact O-N 3.15Å |
| 206 | E | 89.4 | Confident | 90.2 | Very high | 73 Ų | 73 | 79.7 Ų | 79.7 | 34% | 0.341 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 172.6 | -73.3 | 173.8 | -175.1 | 0 | 0 | 110.9 | K202 K203 M208 M209 Y210 | K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 2.89Å; K203-E206 IonicContact NZ-OE2 2.76Å; K203-E206 PolarHBondContact NZ-OE2 3.2Å; K203-E206 PolarHBondContact O-N 3.28Å; E206-M208 PolarHBondContact O-N 3.48Å; E206-M209 WeakPolarHBondContact O-CB 3.31Å; E206-M209 PolarHBondContact O-N 3.21Å; E206-Y210 WeakPolarHBondContact O-CD2 3.26Å; E206-Y210 PolarHBondContact O-N 3.3Å |
| 207 | I | 89.3 | Confident | 90.1 | Very high | 99 Ų | 99 | 83.4 Ų | 83.4 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.2 | -68.2 | 165.6 | 0 | 0 | 0 | 111.2 | K203 L204 M209 Y210 V211 | K203-I207 VanDerWaalsContact O-CG1 3.26Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 2.93Å; L204-I207 PolarHBondContact O-N 2.87Å; I207-M209 VanDerWaalsContact C-N 3.25Å; I207-M209 PolarHBondContact O-N 3.35Å; I207-Y210 WeakPolarHBondContact O-CB 3.44Å; I207-Y210 PolarHBondContact O-N 2.75Å; I207-Y210 VanDerWaalsContact O-N 3.07Å; I207-V211 HydrophobicContact CG2-CG2 4.28Å; I207-V211 WeakPolarHBondContact O-CG2 3.44Å; I207-V211 PolarHBondContact O-N 2.98Å |
| 208 | M | 86.3 | Confident | 90.2 | Very high | 81 Ų | 81 | 85.1 Ų | 85.1 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 177.5 | -78.1 | -162.1 | -66.9 | 0 | 0 | 112 | L204 Q205 E206 V211 I212 | L204-M208 WeakPolarHBondContact O-CB 3.32Å; L204-M208 WeakPolarHBondContact O-CG 3.41Å; L204-M208 PolarHBondContact O-N 3.15Å; Q205-M208 HydrophobicContact CG-CE 4.05Å; Q205-M208 PolarHBondContact O-N 2.93Å; E206-M208 PolarHBondContact O-N 3.48Å; M208-V211 PolarHBondContact O-N 3.12Å; M208-I212 WeakPolarHBondContact O-CG1 3.3Å; M208-I212 PolarHBondContact O-N 3.43Å |
| 209 | M | 86.4 | Confident | 90.4 | Very high | 123 Ų | 123 | 82.7 Ų | 82.7 | 61% | 0.606 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 174.8 | -176.3 | -178.9 | -119.7 | 0 | 0 | 111.3 | Q205 E206 I207 V211 I212 W213 | Q205-M209 PolarHBondContact O-N 2.68Å; Q205-M209 VanDerWaalsContact O-N 3.15Å; E206-M209 WeakPolarHBondContact O-CB 3.31Å; E206-M209 PolarHBondContact O-N 3.21Å; I207-M209 VanDerWaalsContact C-N 3.25Å; I207-M209 PolarHBondContact O-N 3.35Å; M209-V211 VanDerWaalsContact C-N 3.35Å; M209-V211 PolarHBondContact O-N 3.1Å; M209-I212 PolarHBondContact O-N 2.93Å; M209-W213 PolarHBondContact O-N 3.35Å; M209-W213 VanDerWaalsContact O-N 3.14Å |
| 210 | Y | 90.2 | Very high | 90.4 | Very high | 170 Ų | 170 | 83.5 Ų | 83.5 | 67% | 0.667 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.9 | -71.6 | -73.1 | 0 | 0 | 0 | 112 | E206 I207 I212 W213 T214 | E206-Y210 WeakPolarHBondContact O-CD2 3.26Å; E206-Y210 PolarHBondContact O-N 3.3Å; I207-Y210 WeakPolarHBondContact O-CB 3.44Å; I207-Y210 PolarHBondContact O-N 2.75Å; I207-Y210 VanDerWaalsContact O-N 3.07Å; Y210-I212 VanDerWaalsContact C-N 3.32Å; Y210-I212 PolarHBondContact O-N 2.68Å; Y210-W213 PolarHBondContact O-N 2.96Å; Y210-T214 WeakPolarHBondContact O-CG2 3.47Å; Y210-T214 PolarHBondContact O-N 2.95Å; Y210-T214 PolarHBondContact O-OG1 3.1Å |
| 211 | V | 89.1 | Confident | 90.5 | Very high | 83 Ų | 83 | 84.7 Ų | 84.7 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | I207 M208 M209 W213 T214 A215 | I207-V211 HydrophobicContact CG2-CG2 4.28Å; I207-V211 WeakPolarHBondContact O-CG2 3.44Å; I207-V211 PolarHBondContact O-N 2.98Å; M208-V211 PolarHBondContact O-N 3.12Å; M209-V211 VanDerWaalsContact C-N 3.35Å; M209-V211 PolarHBondContact O-N 3.1Å; V211-W213 PolarHBondContact O-N 2.98Å; V211-T214 WeakPolarHBondContact CA-OG1 3.38Å; V211-T214 PolarHBondContact O-N 3.44Å; V211-T214 PolarHBondContact O-OG1 3.2Å; V211-A215 WeakPolarHBondContact O-CB 3.27Å; V211-A215 PolarHBondContact O-N 3.08Å |
| 212 | I | 89.2 | Confident | 90.6 | Very high | 92 Ų | 92 | 83.8 Ų | 83.8 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -46 | 177.2 | -68.2 | 165.2 | 0 | 0 | 0 | 111.3 | M208 M209 Y210 T214 A215 L216 | M208-I212 WeakPolarHBondContact O-CG1 3.3Å; M208-I212 PolarHBondContact O-N 3.43Å; M209-I212 PolarHBondContact O-N 2.93Å; Y210-I212 VanDerWaalsContact C-N 3.32Å; Y210-I212 PolarHBondContact O-N 2.68Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 3.04Å; I212-A215 PolarHBondContact O-N 3.15Å; I212-L216 HydrophobicContact CG2-CD1 4.11Å; I212-L216 HydrophobicContact CG2-CG 4.44Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.01Å |
| 213 | W | 92.6 | Very high | 90.7 | Very high | 162 Ų | 162 | 82.6 Ų | 82.6 | 61% | 0.614 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 177.5 | -79.9 | 110.1 | 0 | 0 | 0 | 112.7 | M209 Y210 V211 T217 | M209-W213 PolarHBondContact O-N 3.35Å; M209-W213 VanDerWaalsContact O-N 3.14Å; Y210-W213 PolarHBondContact O-N 2.96Å; V211-W213 PolarHBondContact O-N 2.98Å; W213-T217 PolarHBondContact O-N 2.93Å; W213-T217 PolarHBondContact O-OG1 2.76Å |
| 214 | T | 91.4 | Very high | 90.8 | Very high | 90 Ų | 90 | 82 Ų | 82 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.5 | -41 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | Y210 V211 I212 T217 F218 | Y210-T214 WeakPolarHBondContact O-CG2 3.47Å; Y210-T214 PolarHBondContact O-N 2.95Å; Y210-T214 PolarHBondContact O-OG1 3.1Å; V211-T214 WeakPolarHBondContact CA-OG1 3.38Å; V211-T214 PolarHBondContact O-N 3.44Å; V211-T214 PolarHBondContact O-OG1 3.2Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 3.04Å; T214-T217 PolarHBondContact O-N 3.35Å; T214-F218 WeakPolarHBondContact O-CB 3.48Å; T214-F218 PolarHBondContact O-N 3.49Å |
| 215 | A | 91.5 | Very high | 91 | Very high | 18 Ų | 18 | 79 Ų | 79 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E98 V102 V211 I212 T217 F218 A219 | E98-A215 VanDerWaalsContact OE1-C 3.23Å; E98-A215 VanDerWaalsContact OE1-CA 3.28Å; E98-A215 WeakPolarHBondContact OE1-CA 3.48Å; E98-A215 WeakPolarHBondContact OE1-CB 3.42Å; V102-A215 HydrophobicContact CG2-CB 4.39Å; V211-A215 WeakPolarHBondContact O-CB 3.27Å; V211-A215 PolarHBondContact O-N 3.08Å; I212-A215 PolarHBondContact O-N 3.15Å; A215-T217 PolarHBondContact O-N 3.46Å; A215-T217 VanDerWaalsContact O-N 3.16Å; A215-F218 WeakPolarHBondContact O-CA 3.06Å; A215-F218 WeakPolarHBondContact O-CB 3.09Å; A215-F218 PolarHBondContact O-N 3.45Å; A215-A219 WeakPolarHBondContact O-CB 2.95Å; A215-A219 PolarHBondContact O-N 3.02Å |
| 216 | L | 93.1 | Very high | 91.2 | Very high | 103 Ų | 103 | 75.4 Ų | 75.4 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.8 | -39.3 | 176.8 | -71.3 | 174.6 | 0 | 0 | 0 | 113 | I212 A220 | I212-L216 HydrophobicContact CG2-CD1 4.11Å; I212-L216 HydrophobicContact CG2-CG 4.44Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.01Å; L216-A220 WeakPolarHBondContact O-CB 3.48Å; L216-A220 PolarHBondContact O-N 3.19Å |
| 217 | T | 93.7 | Very high | 91.3 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | W213 T214 A215 A220 I221 | W213-T217 PolarHBondContact O-N 2.93Å; W213-T217 PolarHBondContact O-OG1 2.76Å; T214-T217 PolarHBondContact O-N 3.35Å; A215-T217 PolarHBondContact O-N 3.46Å; A215-T217 VanDerWaalsContact O-N 3.16Å; T217-A220 PolarHBondContact O-N 3.43Å; T217-I221 HydrophobicContact CG2-CD1 4.09Å; T217-I221 VanDerWaalsContact O-CG1 3.31Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.45Å |
| 218 | F | 92.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 177.8 | -176.1 | -100.9 | 0 | 0 | 0 | 111.7 | F21 V94 E98 T214 A215 A220 I221 Q222 | F21-F218 HydrophobicContact CD1-CE2 4.32Å; F21-F218 AromaticContact CE1-CD2 3.87Å; F21-F218 HydrophobicContact CE1-CD2 3.87Å; F21-F218 AromaticContact CE1-CE2 3.63Å; F21-F218 HydrophobicContact CE1-CE2 3.63Å; F21-F218 HydrophobicContact CZ-CD2 4.28Å; F21-F218 HydrophobicContact CZ-CE2 4.11Å; V94-F218 HydrophobicContact CG1-CE1 4.01Å; V94-F218 HydrophobicContact CG1-CZ 4.33Å; E98-F218 WeakPolarHBondContact OE2-CD1 3.47Å; T214-F218 WeakPolarHBondContact O-CB 3.48Å; T214-F218 PolarHBondContact O-N 3.49Å; A215-F218 WeakPolarHBondContact O-CA 3.06Å; A215-F218 WeakPolarHBondContact O-CB 3.09Å; A215-F218 PolarHBondContact O-N 3.45Å; F218-A220 VanDerWaalsContact C-N 3.32Å; F218-A220 PolarHBondContact O-N 3.48Å; F218-I221 PolarHBondContact O-N 3.5Å; F218-I221 VanDerWaalsContact O-N 3.15Å; F218-Q222 WeakPolarHBondContact O-CB 3.03Å; F218-Q222 PolarHBondContact O-N 3.07Å |
| 219 | A | 94.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 69.3 Ų | 69.3 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.5 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F95 A215 Q222 M223 | F95-A219 HydrophobicContact CD2-CB 4.42Å; F95-A219 HydrophobicContact CE2-CB 4.08Å; A215-A219 WeakPolarHBondContact O-CB 2.95Å; A215-A219 PolarHBondContact O-N 3.02Å; A219-Q222 PolarHBondContact O-N 3.5Å; A219-M223 WeakPolarHBondContact O-CB 3.18Å; A219-M223 VanDerWaalsContact O-CG 3.29Å; A219-M223 WeakPolarHBondContact O-CG 3.16Å; A219-M223 PolarHBondContact O-N 2.88Å |
| 220 | A | 94.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 66 Ų | 66 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L216 T217 F218 Q222 M223 L224 | L216-A220 WeakPolarHBondContact O-CB 3.48Å; L216-A220 PolarHBondContact O-N 3.19Å; T217-A220 PolarHBondContact O-N 3.43Å; F218-A220 VanDerWaalsContact C-N 3.32Å; F218-A220 PolarHBondContact O-N 3.48Å; A220-Q222 VanDerWaalsContact C-N 3.33Å; A220-M223 PolarHBondContact O-N 3.36Å; A220-L224 PolarHBondContact O-N 2.92Å |
| 221 | I | 92.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.7 | -63.6 | 164.1 | 0 | 0 | 0 | 110.7 | L17 F21 T217 F218 L224 G225 | L17-I221 HydrophobicContact CD1-CG2 4.41Å; L17-I221 HydrophobicContact CD2-CG2 4.05Å; F21-I221 HydrophobicContact CE2-CG2 3.51Å; F21-I221 HydrophobicContact CZ-CB 4.14Å; F21-I221 HydrophobicContact CZ-CD1 4.44Å; F21-I221 HydrophobicContact CZ-CG2 3.42Å; F21-I221 VanDerWaalsContact CZ-CG2 3.42Å; T217-I221 HydrophobicContact CG2-CD1 4.09Å; T217-I221 VanDerWaalsContact O-CG1 3.31Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.45Å; F218-I221 PolarHBondContact O-N 3.5Å; F218-I221 VanDerWaalsContact O-N 3.15Å; I221-L224 WeakPolarHBondContact O-CB 3.27Å; I221-L224 PolarHBondContact O-N 3.33Å; I221-G225 PolarHBondContact O-N 2.04Å |
| 222 | Q | 92.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.2 | -174.1 | 167.3 | 25.6 | 0 | 0 | 112.2 | L91 V94 E98 F218 A219 A220 L224 G225 M226 | L91-Q222 HydrophobicContact CB-CG 4.24Å; L91-Q222 HydrophobicContact CD2-CG 4.31Å; L91-Q222 PolarHBondContact O-NE2 2.84Å; V94-Q222 VanDerWaalsContact CB-NE2 3.26Å; V94-Q222 VanDerWaalsContact CG1-NE2 3.3Å; E98-Q222 PolarHBondContact OE2-OE1 3.01Å; F218-Q222 WeakPolarHBondContact O-CB 3.03Å; F218-Q222 PolarHBondContact O-N 3.07Å; A219-Q222 PolarHBondContact O-N 3.5Å; A220-Q222 VanDerWaalsContact C-N 3.33Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.42Å; Q222-G225 PolarHBondContact O-N 3.43Å; Q222-M226 HydrophobicContact CG-CE 4.37Å; Q222-M226 WeakPolarHBondContact O-CG 3.21Å; Q222-M226 PolarHBondContact O-N 3.31Å |
| 223 | M | 92.8 | Very high | 90.8 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 49% | 0.493 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 173.4 | -73.6 | -64.1 | -62.9 | 0 | 0 | 111.8 | F95 A219 A220 M226 L227 | F95-M223 HydrophobicContact CE2-CG 4.43Å; F95-M223 HydrophobicContact CE2-SD 4.42Å; A219-M223 WeakPolarHBondContact O-CB 3.18Å; A219-M223 VanDerWaalsContact O-CG 3.29Å; A219-M223 WeakPolarHBondContact O-CG 3.16Å; A219-M223 PolarHBondContact O-N 2.88Å; A220-M223 PolarHBondContact O-N 3.36Å; M223-M226 HydrophobicContact CG-CE 4.22Å; M223-M226 PolarHBondContact O-N 3.47Å; M223-M226 HydrophobicContact SD-CE 3.27Å; M223-M226 WeakPolarHBondContact SD-CE 3.45Å; M223-L227 WeakPolarHBondContact O-CB 3.25Å; M223-L227 PolarHBondContact O-N 3Å |
| 224 | L | 91.9 | Very high | 90.4 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174 | -180 | 63.9 | 0 | 0 | 0 | 111.4 | L17 A220 I221 Q222 M226 L227 C228 | L17-L224 HydrophobicContact CD1-CD2 4.27Å; A220-L224 PolarHBondContact O-N 2.92Å; I221-L224 WeakPolarHBondContact O-CB 3.27Å; I221-L224 PolarHBondContact O-N 3.33Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.42Å; L224-M226 PolarHBondContact O-N 2.97Å; L224-L227 PolarHBondContact O-N 2.88Å; L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.19Å; L224-C228 PolarHBondContact O-SG 3.15Å; L224-C228 VanDerWaalsContact O-SG 3.36Å |
| 225 | G | 90.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I221 Q222 C228 A229 | I221-G225 PolarHBondContact O-N 2.04Å; Q222-G225 PolarHBondContact O-N 3.43Å; G225-C228 PolarHBondContact O-N 3.4Å; G225-A229 VanDerWaalsContact O-CB 3.31Å; G225-A229 WeakPolarHBondContact O-CB 3.39Å; G225-A229 PolarHBondContact O-N 3.07Å |
| 226 | M | 91.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175 | -71.7 | -171 | -66.6 | 0 | 0 | 111.7 | L91 L92 Q222 M223 L224 A229 C230 | L91-M226 HydrophobicContact CB-CG 3.7Å; L91-M226 HydrophobicContact CB-SD 4.09Å; L91-M226 HydrophobicContact CD1-CG 3.85Å; L91-M226 HydrophobicContact CG-CG 4.47Å; L92-M226 HydrophobicContact CB-SD 4.39Å; Q222-M226 HydrophobicContact CG-CE 4.37Å; Q222-M226 WeakPolarHBondContact O-CG 3.21Å; Q222-M226 PolarHBondContact O-N 3.31Å; M223-M226 HydrophobicContact CG-CE 4.22Å; M223-M226 PolarHBondContact O-N 3.47Å; M223-M226 HydrophobicContact SD-CE 3.27Å; M223-M226 WeakPolarHBondContact SD-CE 3.45Å; L224-M226 PolarHBondContact O-N 2.97Å; M226-A229 PolarHBondContact O-N 2.66Å; M226-C230 WeakPolarHBondContact O-CB 3.31Å; M226-C230 PolarHBondContact O-N 3.47Å; M226-C230 PolarHBondContact O-SG 2.87Å |
| 227 | L | 91.3 | Very high | 87.9 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 59% | 0.586 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 178 | -175.5 | 118 | 0 | 0 | 0 | 111.4 | M223 L224 A229 C230 V231 | M223-L227 WeakPolarHBondContact O-CB 3.25Å; M223-L227 PolarHBondContact O-N 3Å; L224-L227 PolarHBondContact O-N 2.88Å; L227-A229 PolarHBondContact O-N 3.3Å; L227-C230 PolarHBondContact O-N 3.32Å; L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.14Å; L227-V231 PolarHBondContact O-N 2.9Å |
| 228 | C | 89.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.8 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | L14 L224 G225 V231 V232 | L14-C228 HydrophobicContact CD1-CB 4.37Å; L224-C228 WeakPolarHBondContact O-CB 3.4Å; L224-C228 PolarHBondContact O-N 3.19Å; L224-C228 PolarHBondContact O-SG 3.15Å; L224-C228 VanDerWaalsContact O-SG 3.36Å; G225-C228 PolarHBondContact O-N 3.4Å; C228-V231 PolarHBondContact O-N 3.19Å; C228-V232 WeakPolarHBondContact O-CG2 3.4Å; C228-V232 PolarHBondContact O-N 3.23Å |
| 229 | A | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L14 L84 V88 G225 M226 L227 V231 V232 L233 | L14-A229 HydrophobicContact CD2-CB 4.26Å; L84-A229 HydrophobicContact CD1-CB 3.76Å; L84-A229 HydrophobicContact CG-CB 4.31Å; V88-A229 HydrophobicContact CG2-CB 3.45Å; V88-A229 VanDerWaalsContact CG2-CB 3.45Å; G225-A229 VanDerWaalsContact O-CB 3.31Å; G225-A229 WeakPolarHBondContact O-CB 3.39Å; G225-A229 PolarHBondContact O-N 3.07Å; M226-A229 PolarHBondContact O-N 2.66Å; L227-A229 PolarHBondContact O-N 3.3Å; A229-V231 PolarHBondContact O-N 3.17Å; A229-V232 PolarHBondContact O-N 3.16Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 2.71Å |
| 230 | C | 87.9 | Confident | 83.8 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 175.4 | -73.2 | 0 | 0 | 0 | 0 | 112.2 | M226 L227 V232 L233 C234 | M226-C230 WeakPolarHBondContact O-CB 3.31Å; M226-C230 PolarHBondContact O-N 3.47Å; M226-C230 PolarHBondContact O-SG 2.87Å; L227-C230 PolarHBondContact O-N 3.32Å; C230-V232 VanDerWaalsContact C-N 3.32Å; C230-V232 PolarHBondContact O-N 2.89Å; C230-L233 PolarHBondContact O-N 2.84Å; C230-C234 VanDerWaalsContact O-CB 3.29Å; C230-C234 WeakPolarHBondContact O-CB 3.31Å; C230-C234 PolarHBondContact O-N 3.25Å; C230-C234 PolarHBondContact O-SG 3.19Å |
| 231 | V | 86.6 | Confident | 82.2 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L227 C228 A229 R235 | L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.14Å; L227-V231 PolarHBondContact O-N 2.9Å; C228-V231 PolarHBondContact O-N 3.19Å; A229-V231 PolarHBondContact O-N 3.17Å; V231-R235 WeakPolarHBondContact O-CB 3.01Å; V231-R235 WeakPolarHBondContact O-CG 3Å; V231-R235 PolarHBondContact O-N 3.44Å |
| 232 | V | 84.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | K11 L84 C228 A229 C230 R236 | K11-V232 HydrophobicContact CG-CG2 4.08Å; L84-V232 HydrophobicContact CD2-CB 3.96Å; L84-V232 HydrophobicContact CD2-CG1 3.6Å; C228-V232 WeakPolarHBondContact O-CG2 3.4Å; C228-V232 PolarHBondContact O-N 3.23Å; A229-V232 PolarHBondContact O-N 3.16Å; C230-V232 VanDerWaalsContact C-N 3.32Å; C230-V232 PolarHBondContact O-N 2.89Å; V232-R236 WeakPolarHBondContact O-CB 3.47Å; V232-R236 PolarHBondContact O-N 2.89Å; V232-R236 VanDerWaalsContact O-N 3.15Å |
| 233 | L | 84 | Confident | 78.8 | Confident | 21 Ų | 21 | 69 Ų | 69 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -52.7 | 176.1 | -74.5 | 171.1 | 0 | 0 | 0 | 112.1 | L84 V88 A229 C230 R235 R236 S237 | L84-L233 HydrophobicContact CB-CD2 3.93Å; L84-L233 HydrophobicContact CB-CG 4.37Å; L84-L233 HydrophobicContact CD2-CD1 4.48Å; L84-L233 HydrophobicContact CD2-CD2 3.74Å; L84-L233 HydrophobicContact CD2-CG 3.61Å; L84-L233 HydrophobicContact CG-CD1 4.17Å; L84-L233 HydrophobicContact CG-CD2 3.91Å; L84-L233 HydrophobicContact CG-CG 3.81Å; V88-L233 HydrophobicContact CG2-CD1 4.21Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 2.71Å; C230-L233 PolarHBondContact O-N 2.84Å; L233-R235 PolarHBondContact O-N 2.03Å; L233-R236 PolarHBondContact O-N 3.08Å; L233-R236 VanDerWaalsContact O-N 3.16Å; L233-S237 PolarHBondContact O-N 2.93Å |
| 234 | C | 83.3 | Confident | 77.1 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | -177.8 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | C230 R236 R238 | C230-C234 VanDerWaalsContact O-CB 3.29Å; C230-C234 WeakPolarHBondContact O-CB 3.31Å; C230-C234 PolarHBondContact O-N 3.25Å; C230-C234 PolarHBondContact O-SG 3.19Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 2.69Å; C234-R238 PolarHBondContact O-N 3.13Å |
| 235 | R | 78.6 | Confident | 75.5 | Confident | 106 Ų | 106 | 73.1 Ų | 73.1 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 177.1 | -75.7 | -173.1 | -178 | 164.4 | 6.6 | 112 | G3 I7 V231 L233 R238 | G3-R235 PolarHBondContact O-NH1 2.91Å; I7-R235 HydrophobicContact CD1-CB 4.18Å; I7-R235 HydrophobicContact CG1-CB 4.46Å; I7-R235 VanDerWaalsContact CG1-CD 3.49Å; V231-R235 WeakPolarHBondContact O-CB 3.01Å; V231-R235 WeakPolarHBondContact O-CG 3Å; V231-R235 PolarHBondContact O-N 3.44Å; L233-R235 PolarHBondContact O-N 2.03Å; R235-R238 PolarHBondContact O-N 3.24Å |
| 236 | R | 73.5 | Confident | 73.9 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.9 | -38.1 | 178 | -169.4 | 177.8 | -169.8 | 177 | 3.1 | 113.3 | E79 V232 L233 C234 R238 D239 | E79-R236 PolarHBondContact O-NH1 2.98Å; E79-R236 PolarHBondContact O-NH2 3.4Å; V232-R236 WeakPolarHBondContact O-CB 3.47Å; V232-R236 PolarHBondContact O-N 2.89Å; V232-R236 VanDerWaalsContact O-N 3.15Å; L233-R236 PolarHBondContact O-N 3.08Å; L233-R236 VanDerWaalsContact O-N 3.16Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 2.69Å; R236-R238 PolarHBondContact O-N 2.82Å; R236-R238 VanDerWaalsContact O-N 3.14Å; R236-D239 VanDerWaalsContact O-CB 3.25Å; R236-D239 WeakPolarHBondContact O-CB 3.21Å; R236-D239 PolarHBondContact O-N 3.09Å |
| 237 | S | 71.2 | Confident | 72.1 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -25.3 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | L233 D239 | L233-S237 PolarHBondContact O-N 2.93Å; S237-D239 VanDerWaalsContact C-N 3.34Å |
| 238 | R | 70.3 | Confident | 70.3 | Confident | 223 Ų | 223 | 76.2 Ų | 76.2 | 84% | 0.842 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.9 | 178.3 | -130.9 | 173.3 | 177.5 | 156.6 | -1.2 | 113.9 | C234 R235 R236 | C234-R238 PolarHBondContact O-N 3.13Å; R235-R238 PolarHBondContact O-N 3.24Å; R236-R238 PolarHBondContact O-N 2.82Å; R236-R238 VanDerWaalsContact O-N 3.14Å |
| 239 | D | 67.9 | Low | 68.5 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -83.3 | 119.2 | 179.2 | -146.6 | -19.8 | 0 | 0 | 0 | 109.1 | R236 S237 A241 Y242 | R236-D239 VanDerWaalsContact O-CB 3.25Å; R236-D239 WeakPolarHBondContact O-CB 3.21Å; R236-D239 PolarHBondContact O-N 3.09Å; S237-D239 VanDerWaalsContact C-N 3.34Å; D239-A241 PolarHBondContact O-N 3.42Å; D239-Y242 WeakPolarHBondContact O-CB 3.43Å; D239-Y242 PolarHBondContact O-N 3.07Å |
| 240 | P | 57.4 | Low | 66.7 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.6 | -18.8 | -168.7 | 18.6 | -31.8 | 0 | 0 | 0 | 115.4 | Y242 | P240-Y242 VanDerWaalsContact C-N 3.29Å; P240-Y242 PolarHBondContact O-N 3.44Å |
| 241 | A | 60.3 | Low | 64.8 | Low | 67 Ų | 67 | 87.9 Ų | 87.9 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.3 | -22.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D239 | D239-A241 PolarHBondContact O-N 3.42Å |
| 242 | Y | 57.7 | Low | 62.7 | Low | 45 Ų | 45 | 92.8 Ų | 92.8 | 18% | 0.176 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -82.4 | -39.3 | -180 | -179.9 | -101.8 | 0 | 0 | 0 | 112.7 | H81 D239 P240 L244 L245 I246 | H81-Y242 HydrophobicContact CB-CE2 4.35Å; H81-Y242 AromaticContact CD2-CZ 3.73Å; H81-Y242 PolarHBondContact CD2-OH 3.2Å; H81-Y242 VanDerWaalsContact CD2-OH 3.26Å; H81-Y242 PolarHBondContact CE1-OH 2.82Å; H81-Y242 VanDerWaalsContact CE1-OH 3.27Å; H81-Y242 PolarHBondContact ND1-OH 3Å; H81-Y242 AromaticContact NE2-CZ 3.96Å; H81-Y242 PolarHBondContact NE2-OH 2.75Å; D239-Y242 WeakPolarHBondContact O-CB 3.43Å; D239-Y242 PolarHBondContact O-N 3.07Å; P240-Y242 VanDerWaalsContact C-N 3.29Å; P240-Y242 PolarHBondContact O-N 3.44Å; Y242-L244 PolarHBondContact O-N 3.34Å; Y242-L245 PolarHBondContact O-N 3.14Å; Y242-L245 VanDerWaalsContact O-N 3.09Å; Y242-I246 HydrophobicContact CD1-CD1 4.14Å; Y242-I246 HydrophobicContact CE1-CD1 3.34Å; Y242-I246 HydrophobicContact CE1-CG1 4.13Å; Y242-I246 HydrophobicContact CE2-CD1 4.43Å; Y242-I246 PolarHBondContact O-N 3.43Å; Y242-I246 VanDerWaalsContact O-N 3.17Å; Y242-I246 WeakPolarHBondContact OH-CD1 3.43Å |
| 243 | E | 56.5 | Low | 61.6 | Low | 131 Ų | 131 | 96.7 Ų | 96.7 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.1 | -40.1 | 171 | -84.1 | -88.2 | 154.6 | 0 | 0 | 111.8 | L245 S247 | E243-L245 PolarHBondContact O-N 3.47Å; E243-S247 WeakPolarHBondContact O-CB 3.24Å; E243-S247 PolarHBondContact O-N 2.04Å |
| 244 | L | 56.2 | Low | 60.4 | Low | 132 Ų | 132 | 100.7 Ų | 100.7 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.6 | -32 | 177.6 | -84.1 | 155.7 | 0 | 0 | 0 | 113.9 | Y242 G248 | Y242-L244 PolarHBondContact O-N 3.34Å; L244-G248 PolarHBondContact O-N 3.41Å |
| 245 | L | 58.2 | Low | 59.1 | Low | 136 Ų | 136 | 101.4 Ų | 101.4 | 71% | 0.712 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -79 | -35 | 179.1 | -77.8 | 167.7 | 0 | 0 | 0 | 112.8 | Y242 E243 G249 | Y242-L245 PolarHBondContact O-N 3.14Å; Y242-L245 VanDerWaalsContact O-N 3.09Å; E243-L245 PolarHBondContact O-N 3.47Å; L245-G249 PolarHBondContact O-N 3.17Å |
| 246 | I | 58 | Low | 58 | Low | 96 Ų | 96 | 101.2 Ų | 101.2 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.5 | -49.6 | 171.7 | -68.5 | -175.4 | 0 | 0 | 0 | 109.9 | Y242 G248 G249 T250 | Y242-I246 HydrophobicContact CD1-CD1 4.14Å; Y242-I246 HydrophobicContact CE1-CD1 3.34Å; Y242-I246 HydrophobicContact CE1-CG1 4.13Å; Y242-I246 HydrophobicContact CE2-CD1 4.43Å; Y242-I246 PolarHBondContact O-N 3.43Å; Y242-I246 VanDerWaalsContact O-N 3.17Å; Y242-I246 WeakPolarHBondContact OH-CD1 3.43Å; I246-G248 VanDerWaalsContact C-N 3.32Å; I246-G248 PolarHBondContact O-N 3.04Å; I246-G249 PolarHBondContact O-N 3.26Å; I246-G249 VanDerWaalsContact O-N 3.12Å; I246-T250 PolarHBondContact O-N 2.73Å; I246-T250 PolarHBondContact O-OG1 3.13Å |
| 247 | S | 53.6 | Low | 57 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.9 | -41.5 | -179.6 | -174 | 0 | 0 | 0 | 0 | 112 | E243 G249 T250 I251 | E243-S247 WeakPolarHBondContact O-CB 3.24Å; E243-S247 PolarHBondContact O-N 2.04Å; S247-G249 PolarHBondContact O-N 3.13Å; S247-T250 PolarHBondContact O-N 3.24Å; S247-T250 PolarHBondContact O-OG1 3.04Å; S247-I251 WeakPolarHBondContact O-CG1 3.46Å |
| 248 | G | 52.8 | Low | 56.1 | Low | 44 Ų | 44 | 105.8 Ų | 105.8 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.9 | -25.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L244 I246 | L244-G248 PolarHBondContact O-N 3.41Å; I246-G248 VanDerWaalsContact C-N 3.32Å; I246-G248 PolarHBondContact O-N 3.04Å |
| 249 | G | 52.1 | Low | 55 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 58% | 0.577 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.9 | -19.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L245 I246 S247 | L245-G249 PolarHBondContact O-N 3.17Å; I246-G249 PolarHBondContact O-N 3.26Å; I246-G249 VanDerWaalsContact O-N 3.12Å; S247-G249 PolarHBondContact O-N 3.13Å |
| 250 | T | 49.5 | Very low | 54.1 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -85.9 | -8.8 | 174.9 | 6.9 | 0 | 0 | 0 | 0 | 114.2 | I246 S247 | I246-T250 PolarHBondContact O-N 2.73Å; I246-T250 PolarHBondContact O-OG1 3.13Å; S247-T250 PolarHBondContact O-N 3.24Å; S247-T250 PolarHBondContact O-OG1 3.04Å |
| 251 | I | 49.6 | Very low | 53.8 | Low | 141 Ų | 141 | 97.8 Ų | 97.8 | 72% | 0.723 | 61% | 0.613 | S | S | * | * | trans | -109.3 | 1 | -176.6 | -57.9 | 171.6 | 0 | 0 | 0 | 111.7 | S247 | S247-I251 WeakPolarHBondContact O-CG1 3.46Š| ||
| 252 | A | 40.9 | Very low | 53.2 | Low | 148 Ų | 148 | 100.6 Ų | 100.6 | 100% | 1.223 | 62% | 0.619 | S | S | * | * | trans | -106.1 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 252 of 252 residues in 570.7 ms
(Link to these results)