| 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 | 53.6 | Low | 64.6 | Low | 208 Ų | 208 | 134.8 Ų | 134.8 | 100% | 1.025 | 64% | 0.64 | S | S | * | * | 0 | -26.5 | 0 | -92.8 | 143 | 73.2 | 0 | 0 | 115.4 | R3 | M1-R3 PolarHBondContact O-N 3.29Š| |||
| 2 | N | 57.2 | Low | 64.6 | Low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -11.9 | -174.8 | -80.7 | -1.9 | 0 | 0 | 0 | 117.6 | P6 | N2-P6 WeakPolarHBondContact O-CD 3.19Š|
| 3 | R | 61 | Low | 64.6 | Low | 222 Ų | 222 | 131.4 Ų | 131.4 | 84% | 0.838 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -21.3 | -178 | -120.9 | 177.8 | -179 | 178 | -0.6 | 114.5 | M1 P6 | M1-R3 PolarHBondContact O-N 3.29Å; R3-P6 WeakPolarHBondContact O-CD 3.38Å; R3-P6 WeakPolarHBondContact O-CG 3.39Å |
| 4 | Y | 62.2 | Low | 64.7 | Low | 187 Ų | 187 | 126.5 Ų | 126.5 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -87.4 | -21.3 | -179.6 | -61.8 | -78.1 | 0 | 0 | 0 | 113.3 | A8 | Y4-A8 WeakPolarHBondContact O-CB 3.38Å; Y4-A8 PolarHBondContact O-N 3.34Å |
| 5 | L | 64.6 | Low | 64.6 | Low | 95 Ų | 95 | 119.4 Ų | 119.4 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.4 | -45.9 | 177.7 | -70.1 | 173.4 | 0 | 0 | 0 | 114.2 | R9 | L5-R9 WeakPolarHBondContact O-CB 3.27Å; L5-R9 VanDerWaalsContact O-CG 3.24Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 2.99Å |
| 6 | P | 68.5 | Low | 64.6 | Low | 65 Ų | 65 | 114.9 Ų | 114.9 | 42% | 0.422 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.2 | -37.3 | 178.4 | 24.3 | -33.1 | 0 | 0 | 0 | 112.2 | N2 R3 R9 Q10 | N2-P6 WeakPolarHBondContact O-CD 3.19Å; R3-P6 WeakPolarHBondContact O-CD 3.38Å; R3-P6 WeakPolarHBondContact O-CG 3.39Å; P6-R9 PolarHBondContact O-N 2.75Å; P6-Q10 WeakPolarHBondContact O-CG 3.48Å; P6-Q10 PolarHBondContact O-N 3.32Å |
| 7 | V | 69 | Low | 64.5 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -45.6 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | R9 Q10 H11 | V7-R9 VanDerWaalsContact C-N 3.33Å; V7-R9 PolarHBondContact O-N 3.18Å; V7-Q10 PolarHBondContact O-N 3.05Å; V7-H11 WeakPolarHBondContact CG1-NE2 3.27Å; V7-H11 PolarHBondContact O-CD2 3.31Å; V7-H11 PolarHBondContact O-N 3.29Å |
| 8 | A | 64.8 | Low | 64.8 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y4 H11 F12 | Y4-A8 WeakPolarHBondContact O-CB 3.38Å; Y4-A8 PolarHBondContact O-N 3.34Å; A8-H11 PolarHBondContact O-N 3.37Å; A8-F12 VanDerWaalsContact O-CB 3.23Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 3.25Å |
| 9 | R | 67.3 | Low | 65.5 | Low | 178 Ų | 178 | 105.9 Ų | 105.9 | 67% | 0.672 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 173.2 | -77.7 | 176.8 | 178.9 | -165.8 | 0.1 | 111.7 | L5 P6 V7 F12 L13 | L5-R9 WeakPolarHBondContact O-CB 3.27Å; L5-R9 VanDerWaalsContact O-CG 3.24Å; L5-R9 WeakPolarHBondContact O-CG 3.26Å; L5-R9 PolarHBondContact O-N 2.99Å; P6-R9 PolarHBondContact O-N 2.75Å; V7-R9 VanDerWaalsContact C-N 3.33Å; V7-R9 PolarHBondContact O-N 3.18Å; R9-F12 PolarHBondContact O-N 3.44Å; R9-L13 VanDerWaalsContact O-CB 3.24Å; R9-L13 WeakPolarHBondContact O-CB 3.42Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.16Å |
| 10 | Q | 71.3 | Confident | 66.4 | Low | 133 Ų | 133 | 101.6 Ų | 101.6 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 177 | -76.1 | 173.2 | -12.2 | 0 | 0 | 112 | P6 V7 L13 A14 | P6-Q10 WeakPolarHBondContact O-CG 3.48Å; P6-Q10 PolarHBondContact O-N 3.32Å; V7-Q10 PolarHBondContact O-N 3.05Å; Q10-L13 PolarHBondContact O-N 2.94Å; Q10-A14 WeakPolarHBondContact O-CB 3.29Å; Q10-A14 PolarHBondContact O-N 3.48Å |
| 11 | H | 71.8 | Confident | 67.5 | Low | 130 Ų | 130 | 102.1 Ų | 102.1 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 174.3 | -70.1 | -61.7 | 0 | 0 | 0 | 112.3 | V7 A8 A15 | V7-H11 WeakPolarHBondContact CG1-NE2 3.27Å; V7-H11 PolarHBondContact O-CD2 3.31Å; V7-H11 PolarHBondContact O-N 3.29Å; A8-H11 PolarHBondContact O-N 3.37Å; H11-A15 WeakPolarHBondContact O-CB 3.48Å; H11-A15 PolarHBondContact O-N 2.66Å |
| 12 | F | 64.4 | Low | 69.2 | Low | 115 Ų | 115 | 93.5 Ų | 93.5 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.9 | -174.6 | -105.6 | 0 | 0 | 0 | 111.6 | A8 R9 A15 L16 | A8-F12 VanDerWaalsContact O-CB 3.23Å; A8-F12 WeakPolarHBondContact O-CB 3.4Å; A8-F12 PolarHBondContact O-N 3.25Å; R9-F12 PolarHBondContact O-N 3.44Å; F12-A15 CarbonylContact O-C 3.56Å; F12-A15 PolarHBondContact O-N 2.83Å; F12-L16 HydrophobicContact CD1-CD1 3.69Å; F12-L16 HydrophobicContact CE1-CD1 3.19Å; F12-L16 HydrophobicContact CE2-CD1 4.44Å; F12-L16 HydrophobicContact CZ-CD1 3.63Å; F12-L16 WeakPolarHBondContact O-CB 3.1Å; F12-L16 PolarHBondContact O-N 2.89Å |
| 13 | L | 64.3 | Low | 70.7 | Confident | 110 Ų | 110 | 86.8 Ų | 86.8 | 58% | 0.576 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.2 | -43.5 | 179 | -72.7 | 173.2 | 0 | 0 | 0 | 112.4 | R9 Q10 A15 L16 A17 | R9-L13 VanDerWaalsContact O-CB 3.24Å; R9-L13 WeakPolarHBondContact O-CB 3.42Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.16Å; Q10-L13 PolarHBondContact O-N 2.94Å; L13-A15 PolarHBondContact O-N 3Å; L13-L16 CarbonylContact O-C 3.52Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 2.9Å |
| 14 | A | 65.9 | Low | 72.1 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q10 L16 A17 S18 | Q10-A14 WeakPolarHBondContact O-CB 3.29Å; Q10-A14 PolarHBondContact O-N 3.48Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-A17 PolarHBondContact O-N 3.1Å; A14-S18 PolarHBondContact O-N 3.14Å; A14-S18 VanDerWaalsContact O-N 3.1Å; A14-S18 PolarHBondContact O-OG 3.01Å |
| 15 | A | 63.8 | Low | 73.5 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -83.6 | -11.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H11 F12 L13 S18 T19 R88 | H11-A15 WeakPolarHBondContact O-CB 3.48Å; H11-A15 PolarHBondContact O-N 2.66Å; F12-A15 CarbonylContact O-C 3.56Å; F12-A15 PolarHBondContact O-N 2.83Å; L13-A15 PolarHBondContact O-N 3Å; A15-S18 PolarHBondContact O-OG 3.21Å; A15-T19 WeakPolarHBondContact O-CG2 3.48Å; A15-R88 VanDerWaalsContact CB-NH1 3.26Å; A15-R88 PolarHBondContact O-NE 3.47Å; A15-R88 PolarHBondContact O-NH2 3.45Å |
| 16 | L | 63.8 | Low | 74.8 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -83.8 | -32 | 164.4 | -118.3 | 152.3 | 0 | 0 | 0 | 111.4 | F12 L13 A14 S18 T19 K24 M84 | F12-L16 HydrophobicContact CD1-CD1 3.69Å; F12-L16 HydrophobicContact CE1-CD1 3.19Å; F12-L16 HydrophobicContact CE2-CD1 4.44Å; F12-L16 HydrophobicContact CZ-CD1 3.63Å; F12-L16 WeakPolarHBondContact O-CB 3.1Å; F12-L16 PolarHBondContact O-N 2.89Å; L13-L16 CarbonylContact O-C 3.52Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-L16 VanDerWaalsContact O-N 3.13Å; A14-L16 VanDerWaalsContact C-N 3.33Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-T19 PolarHBondContact O-OG1 3.41Å; L16-K24 WeakPolarHBondContact O-CE 3.3Å; L16-K24 PolarHBondContact O-NZ 3.16Å; L16-M84 HydrophobicContact CD1-CE 4.33Å; L16-M84 HydrophobicContact CD2-CE 3.65Å; L16-M84 HydrophobicContact CG-CE 3.61Å; L16-M84 HydrophobicContact CG-SD 4.31Å |
| 17 | A | 62.6 | Low | 75.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 59% | 0.587 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.5 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L13 A14 T19 K24 | L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 2.9Å; A14-A17 PolarHBondContact O-N 3.1Å; A17-T19 VanDerWaalsContact C-N 3.34Å; A17-T19 PolarHBondContact O-N 3.37Å; A17-K24 PolarHBondContact O-NZ 3.37Å |
| 18 | S | 71.1 | Confident | 77 | Confident | 94 Ų | 94 | 68 Ų | 68 | 66% | 0.657 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -78 | -7.5 | 179 | 66.3 | 0 | 0 | 0 | 0 | 115.4 | A14 A15 L16 | A14-S18 PolarHBondContact O-N 3.14Å; A14-S18 VanDerWaalsContact O-N 3.1Å; A14-S18 PolarHBondContact O-OG 3.01Å; A15-S18 PolarHBondContact O-OG 3.21Å; L16-S18 VanDerWaalsContact C-N 3.35Å |
| 19 | T | 77.6 | Confident | 78.3 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -79.5 | 156.1 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | A15 L16 A17 V23 K24 M84 R88 | A15-T19 WeakPolarHBondContact O-CG2 3.48Å; L16-T19 PolarHBondContact O-OG1 3.41Å; A17-T19 VanDerWaalsContact C-N 3.34Å; A17-T19 PolarHBondContact O-N 3.37Å; T19-V23 HydrophobicContact CG2-CG1 4.22Å; T19-K24 WeakPolarHBondContact O-CE 3.47Å; T19-K24 PolarHBondContact O-NZ 2.88Å; T19-M84 HydrophobicContact CG2-SD 3.37Å; T19-M84 WeakPolarHBondContact CG2-SD 3.17Å; T19-R88 HydrophobicContact CG2-CG 3.75Å |
| 20 | S | 83.9 | Confident | 79.5 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | trans | -70.8 | 164.8 | -176.8 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | V22 V23 K24 E91 | S20-V22 PolarHBondContact O-N 2.86Å; S20-V23 PolarHBondContact O-N 2.97Å; S20-V23 VanDerWaalsContact OG-CG2 3.27Å; S20-V23 WeakPolarHBondContact OG-CG2 3.22Å; S20-V23 PolarHBondContact OG-N 3.25Å; S20-K24 WeakPolarHBondContact O-CB 3.43Å; S20-K24 WeakPolarHBondContact O-CD 3.41Å; S20-K24 VanDerWaalsContact O-CG 3.3Å; S20-K24 WeakPolarHBondContact O-CG 3.39Å; S20-K24 PolarHBondContact O-N 3.32Å; S20-E91 WeakPolarHBondContact CB-OE1 3.43Å; S20-E91 WeakPolarHBondContact CB-OE2 3.39Å; S20-E91 PolarHBondContact OG-OE1 3.48Å; S20-E91 PolarHBondContact OG-OE2 3.2Å | ||
| 21 | V | 89 | Confident | 80.4 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 68% | 0.679 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.8 | -39.4 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | K24 T25 | V21-K24 PolarHBondContact O-N 2.91Å; V21-T25 HydrophobicContact CG1-CG2 4.1Å; V21-T25 WeakPolarHBondContact O-CB 3.45Å; V21-T25 VanDerWaalsContact O-CG2 3.25Å; V21-T25 WeakPolarHBondContact O-CG2 3.35Å; V21-T25 PolarHBondContact O-N 3.23Å; V21-T25 PolarHBondContact O-OG1 3.07Å; V21-T25 VanDerWaalsContact O-OG1 3.1Å |
| 22 | V | 88.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | -179.2 | 178 | 0 | 0 | 0 | 0 | 111.7 | S20 K24 T25 I26 A96 L100 | S20-V22 PolarHBondContact O-N 2.86Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-T25 WeakPolarHBondContact CA-OG1 3.4Å; V22-T25 PolarHBondContact O-N 2.73Å; V22-T25 PolarHBondContact O-OG1 3.35Å; V22-I26 HydrophobicContact CG1-CD1 3.8Å; V22-I26 WeakPolarHBondContact O-CB 3.42Å; V22-I26 VanDerWaalsContact O-CG1 3.27Å; V22-I26 WeakPolarHBondContact O-CG1 3.33Å; V22-I26 PolarHBondContact O-N 3.41Å; V22-A96 HydrophobicContact CG2-CB 4.03Å; V22-L100 HydrophobicContact CG1-CB 4.22Å; V22-L100 HydrophobicContact CG1-CD1 4.09Å |
| 23 | V | 89.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | T19 S20 S27 V83 M84 L99 | T19-V23 HydrophobicContact CG2-CG1 4.22Å; S20-V23 PolarHBondContact O-N 2.97Å; S20-V23 VanDerWaalsContact OG-CG2 3.27Å; S20-V23 WeakPolarHBondContact OG-CG2 3.22Å; S20-V23 PolarHBondContact OG-N 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.5Å; V23-S27 PolarHBondContact O-N 3.24Å; V23-S27 PolarHBondContact O-OG 2.88Å; V23-V83 HydrophobicContact CB-CG1 4.46Å; V23-V83 HydrophobicContact CG1-CG1 4.01Å; V23-M84 HydrophobicContact CG1-SD 4.18Å; V23-L99 HydrophobicContact CG2-CD2 3.98Å |
| 24 | K | 90.8 | Very high | 83.8 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.8 | -72.9 | 167 | 177.1 | 159.1 | 0 | 111.8 | L16 A17 T19 S20 V21 V22 S27 A28 | L16-K24 WeakPolarHBondContact O-CE 3.3Å; L16-K24 PolarHBondContact O-NZ 3.16Å; A17-K24 PolarHBondContact O-NZ 3.37Å; T19-K24 WeakPolarHBondContact O-CE 3.47Å; T19-K24 PolarHBondContact O-NZ 2.88Å; S20-K24 WeakPolarHBondContact O-CB 3.43Å; S20-K24 WeakPolarHBondContact O-CD 3.41Å; S20-K24 VanDerWaalsContact O-CG 3.3Å; S20-K24 WeakPolarHBondContact O-CG 3.39Å; S20-K24 PolarHBondContact O-N 3.32Å; V21-K24 PolarHBondContact O-N 2.91Å; V22-K24 VanDerWaalsContact C-N 3.34Å; K24-S27 WeakPolarHBondContact CA-OG 3.32Å; K24-S27 PolarHBondContact O-OG 3.43Å; K24-S27 VanDerWaalsContact O-OG 3.05Å; K24-A28 WeakPolarHBondContact O-CB 3.02Å; K24-A28 PolarHBondContact O-N 3.19Å |
| 25 | T | 92.1 | Very high | 84.9 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 179.2 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | V21 V22 S27 A28 V29 | V21-T25 HydrophobicContact CG1-CG2 4.1Å; V21-T25 WeakPolarHBondContact O-CB 3.45Å; V21-T25 VanDerWaalsContact O-CG2 3.25Å; V21-T25 WeakPolarHBondContact O-CG2 3.35Å; V21-T25 PolarHBondContact O-N 3.23Å; V21-T25 PolarHBondContact O-OG1 3.07Å; V21-T25 VanDerWaalsContact O-OG1 3.1Å; V22-T25 WeakPolarHBondContact CA-OG1 3.4Å; V22-T25 PolarHBondContact O-N 2.73Å; V22-T25 PolarHBondContact O-OG1 3.35Å; T25-S27 PolarHBondContact O-N 3.27Å; T25-A28 PolarHBondContact O-N 2.98Å; T25-V29 WeakPolarHBondContact O-CB 3.37Å; T25-V29 WeakPolarHBondContact O-CG2 3.44Å; T25-V29 PolarHBondContact O-N 3.48Å |
| 26 | I | 91.1 | Very high | 86.1 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 177.6 | -66.5 | 169.4 | 0 | 0 | 0 | 110.6 | V22 A28 V29 V30 L68 V83 L100 F103 | V22-I26 HydrophobicContact CG1-CD1 3.8Å; V22-I26 WeakPolarHBondContact O-CB 3.42Å; V22-I26 VanDerWaalsContact O-CG1 3.27Å; V22-I26 WeakPolarHBondContact O-CG1 3.33Å; V22-I26 PolarHBondContact O-N 3.41Å; I26-A28 PolarHBondContact O-N 3.39Å; I26-V29 PolarHBondContact O-N 2.75Å; I26-V30 WeakPolarHBondContact O-CG2 3.24Å; I26-V30 PolarHBondContact O-N 2.88Å; I26-L68 HydrophobicContact CG2-CD2 3.9Å; I26-V83 HydrophobicContact CB-CG1 4.09Å; I26-V83 HydrophobicContact CG2-CG1 3.89Å; I26-V83 HydrophobicContact CG2-CG2 3.91Å; I26-L100 HydrophobicContact CD1-CD1 4.41Å; I26-F103 HydrophobicContact CD1-CD1 4.31Å; I26-F103 HydrophobicContact CD1-CD2 4.27Å; I26-F103 HydrophobicContact CD1-CG 4.17Å; I26-F103 HydrophobicContact CG2-CE2 4.05Å; I26-F103 HydrophobicContact CG2-CZ 4.15Å |
| 27 | S | 91.1 | Very high | 87.2 | Confident | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | V23 K24 T25 V29 V30 V31 | V23-S27 WeakPolarHBondContact O-CB 3.5Å; V23-S27 PolarHBondContact O-N 3.24Å; V23-S27 PolarHBondContact O-OG 2.88Å; K24-S27 WeakPolarHBondContact CA-OG 3.32Å; K24-S27 PolarHBondContact O-OG 3.43Å; K24-S27 VanDerWaalsContact O-OG 3.05Å; T25-S27 PolarHBondContact O-N 3.27Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact O-N 3.46Å; S27-V30 PolarHBondContact O-N 2.84Å; S27-V31 WeakPolarHBondContact O-CG2 3.18Å; S27-V31 PolarHBondContact O-N 2.81Å |
| 28 | A | 92.5 | Very high | 88.3 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 49% | 0.488 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K24 T25 I26 V31 L32 | K24-A28 WeakPolarHBondContact O-CB 3.02Å; K24-A28 PolarHBondContact O-N 3.19Å; T25-A28 PolarHBondContact O-N 2.98Å; I26-A28 PolarHBondContact O-N 3.39Å; A28-V31 PolarHBondContact O-N 3.26Å; A28-L32 VanDerWaalsContact O-CB 3.25Å; A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 PolarHBondContact O-N 3.04Å |
| 29 | V | 92.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | T25 I26 S27 V31 L32 L33 L68 | T25-V29 WeakPolarHBondContact O-CB 3.37Å; T25-V29 WeakPolarHBondContact O-CG2 3.44Å; T25-V29 PolarHBondContact O-N 3.48Å; I26-V29 PolarHBondContact O-N 2.75Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact O-N 3.46Å; V29-V31 PolarHBondContact O-N 3.18Å; V29-L32 PolarHBondContact O-N 2.91Å; V29-L33 HydrophobicContact CG1-CD1 3.82Å; V29-L33 HydrophobicContact CG1-CG 4.18Å; V29-L33 WeakPolarHBondContact O-CB 3.41Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.31Å; V29-L68 HydrophobicContact CG1-CD1 4.03Å |
| 30 | V | 91.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | I26 S27 L33 Y34 L68 E70 V76 S79 | I26-V30 WeakPolarHBondContact O-CG2 3.24Å; I26-V30 PolarHBondContact O-N 2.88Å; S27-V30 PolarHBondContact O-N 2.84Å; V30-L33 PolarHBondContact O-N 3.45Å; V30-Y34 WeakPolarHBondContact O-CB 3.44Å; V30-Y34 PolarHBondContact O-N 3.41Å; V30-L68 HydrophobicContact CG2-CB 4.43Å; V30-L68 HydrophobicContact CG2-CD2 3.86Å; V30-E70 HydrophobicContact CG1-CG 4.31Å; V30-V76 HydrophobicContact CG1-CG1 4.39Å; V30-S79 WeakPolarHBondContact CG1-OG 3.36Å |
| 31 | V | 91.1 | Very high | 89.1 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111 | S27 A28 V29 Y34 L35 V76 V80 | S27-V31 WeakPolarHBondContact O-CG2 3.18Å; S27-V31 PolarHBondContact O-N 2.81Å; A28-V31 PolarHBondContact O-N 3.26Å; V29-V31 PolarHBondContact O-N 3.18Å; V31-Y34 WeakPolarHBondContact O-CB 3.48Å; V31-Y34 PolarHBondContact O-N 3.26Å; V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.49Å; V31-V76 HydrophobicContact CG2-CG1 4.16Å; V31-V80 HydrophobicContact CG2-CG2 4.2Å |
| 32 | L | 91.9 | Very high | 88.6 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 59% | 0.586 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.9 | -47.9 | 177.3 | -177.3 | 78.1 | 0 | 0 | 0 | 111.5 | A28 V29 Y34 L35 L36 | A28-L32 VanDerWaalsContact O-CB 3.25Å; A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 PolarHBondContact O-N 3.04Å; V29-L32 PolarHBondContact O-N 2.91Å; L32-Y34 VanDerWaalsContact C-N 3.29Å; L32-Y34 PolarHBondContact O-N 2.85Å; L32-L35 PolarHBondContact O-N 3.23Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 PolarHBondContact O-N 3.46Å |
| 33 | L | 89.7 | Confident | 88 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 178.3 | -70.6 | 177.1 | 0 | 0 | 0 | 111.6 | V29 V30 L36 A37 T42 L46 L68 V69 | V29-L33 HydrophobicContact CG1-CD1 3.82Å; V29-L33 HydrophobicContact CG1-CG 4.18Å; V29-L33 WeakPolarHBondContact O-CB 3.41Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.31Å; V30-L33 PolarHBondContact O-N 3.45Å; L33-L36 PolarHBondContact O-N 2.92Å; L33-A37 WeakPolarHBondContact O-CB 3.33Å; L33-A37 PolarHBondContact O-N 3.16Å; L33-T42 HydrophobicContact CD2-CG2 4.12Å; L33-L46 HydrophobicContact CD1-CD1 4.35Å; L33-L46 HydrophobicContact CD2-CD1 3.82Å; L33-L68 HydrophobicContact CD1-CB 3.76Å; L33-V69 HydrophobicContact CD1-CG2 4.21Å |
| 34 | Y | 89.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 171.9 | 177.7 | -108 | 0 | 0 | 0 | 111.9 | V30 V31 L32 L36 A37 W38 Q71 V73 V76 | V30-Y34 WeakPolarHBondContact O-CB 3.44Å; V30-Y34 PolarHBondContact O-N 3.41Å; V31-Y34 WeakPolarHBondContact O-CB 3.48Å; V31-Y34 PolarHBondContact O-N 3.26Å; L32-Y34 VanDerWaalsContact C-N 3.29Å; L32-Y34 PolarHBondContact O-N 2.85Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.96Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.28Å; Y34-A37 PolarHBondContact O-N 3.01Å; Y34-A37 VanDerWaalsContact O-N 3.16Å; Y34-W38 AromaticContact CE1-NE1 3.58Å; Y34-W38 AromaticContact CZ-NE1 3.47Å; Y34-W38 VanDerWaalsContact O-CD1 3.23Å; Y34-W38 PolarHBondContact OH-NE1 3.1Å; Y34-Q71 WeakPolarHBondContact CE2-O 3.28Å; Y34-V73 HydrophobicContact CE1-CG2 4.28Å; Y34-V73 WeakPolarHBondContact OH-CG2 3.46Å; Y34-V76 HydrophobicContact CD1-CG2 3.97Å; Y34-V76 HydrophobicContact CD2-CG2 3.52Å; Y34-V76 HydrophobicContact CE2-CG2 4.16Å; Y34-V76 HydrophobicContact CG-CG2 3.42Å; Y34-V76 VanDerWaalsContact CG-CG2 3.42Å |
| 35 | L | 89.3 | Confident | 87 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 175.7 | -67.9 | 174.7 | 0 | 0 | 0 | 111.5 | V31 L32 A37 W38 | V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.49Å; L32-L35 PolarHBondContact O-N 3.23Å; L35-A37 VanDerWaalsContact C-N 3.26Å; L35-A37 PolarHBondContact O-N 3.37Å; L35-W38 WeakPolarHBondContact O-CB 3.15Å; L35-W38 PolarHBondContact O-N 3.36Å |
| 36 | L | 88.3 | Confident | 86.6 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -29.6 | 176 | -167.4 | 64.1 | 0 | 0 | 0 | 112 | L32 L33 Y34 W38 A39 V40 | L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 PolarHBondContact O-N 3.46Å; L33-L36 PolarHBondContact O-N 2.92Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 2.96Å; L36-W38 PolarHBondContact O-N 3.12Å; L36-W38 VanDerWaalsContact O-N 3.14Å; L36-A39 PolarHBondContact O-N 2.92Å; L36-V40 PolarHBondContact O-N 2.95Å |
| 37 | A | 86.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L33 Y34 L35 V40 T42 | L33-A37 WeakPolarHBondContact O-CB 3.33Å; L33-A37 PolarHBondContact O-N 3.16Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.28Å; Y34-A37 PolarHBondContact O-N 3.01Å; Y34-A37 VanDerWaalsContact O-N 3.16Å; L35-A37 VanDerWaalsContact C-N 3.26Å; L35-A37 PolarHBondContact O-N 3.37Å; A37-V40 CarbonylContact C-O 3.55Å; A37-V40 VanDerWaalsContact CA-O 3.27Å; A37-V40 WeakPolarHBondContact CA-O 3.36Å; A37-T42 PolarHBondContact N-OG1 3.33Å |
| 38 | W | 85.2 | Confident | 85.7 | Confident | 199 Ų | 199 | 59.5 Ų | 59.5 | 75% | 0.754 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.9 | 173.2 | -69.7 | 74.1 | 0 | 0 | 0 | 113.2 | Y34 L35 L36 | Y34-W38 AromaticContact CE1-NE1 3.58Å; Y34-W38 AromaticContact CZ-NE1 3.47Å; Y34-W38 VanDerWaalsContact O-CD1 3.23Å; Y34-W38 PolarHBondContact OH-NE1 3.1Å; L35-W38 WeakPolarHBondContact O-CB 3.15Å; L35-W38 PolarHBondContact O-N 3.36Å; L36-W38 PolarHBondContact O-N 3.12Å; L36-W38 VanDerWaalsContact O-N 3.14Å |
| 39 | A | 85.2 | Confident | 85.3 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 69% | 0.686 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -35.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 | L36-A39 PolarHBondContact O-N 2.92Š|
| 40 | V | 84.3 | Confident | 84.7 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -138.1 | 141.2 | -174.8 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L36 A37 T42 | L36-V40 PolarHBondContact O-N 2.95Å; A37-V40 CarbonylContact C-O 3.55Å; A37-V40 VanDerWaalsContact CA-O 3.27Å; A37-V40 WeakPolarHBondContact CA-O 3.36Å; V40-T42 PolarHBondContact O-N 2.89Å; V40-T42 PolarHBondContact O-OG1 2.92Å |
| 41 | D | 81.5 | Confident | 84 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 66% | 0.658 | 30% | 0.295 | S | S | * | . | trans | -64.7 | 70.8 | 173.8 | -79.3 | -41.4 | 0 | 0 | 0 | 112.3 | S43 Y44 | D41-S43 PolarHBondContact O-N 3.4Å; D41-Y44 WeakPolarHBondContact O-CB 3.35Å; D41-Y44 PolarHBondContact O-N 3.24Å | ||
| 42 | T | 78.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -29.9 | -175.5 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | L33 A37 V40 Y44 L46 V69 | L33-T42 HydrophobicContact CD2-CG2 4.12Å; A37-T42 PolarHBondContact N-OG1 3.33Å; V40-T42 PolarHBondContact O-N 2.89Å; V40-T42 PolarHBondContact O-OG1 2.92Å; T42-Y44 VanDerWaalsContact C-N 3.28Å; T42-Y44 PolarHBondContact O-N 3.48Å; T42-L46 HydrophobicContact CG2-CD1 3.56Å; T42-L46 HydrophobicContact CG2-CG 4.29Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.88Å; T42-L46 VanDerWaalsContact O-N 3.12Å; T42-V69 HydrophobicContact CG2-CG1 4.33Å; T42-V69 HydrophobicContact CG2-CG2 4.29Å |
| 43 | S | 75.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | 174.9 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | D41 G47 R135 | D41-S43 PolarHBondContact O-N 3.4Å; S43-G47 VanDerWaalsContact O-CA 3.32Å; S43-G47 WeakPolarHBondContact O-CA 3.29Å; S43-G47 PolarHBondContact O-N 3.25Å; S43-R135 WeakPolarHBondContact O-CD 3.32Å; S43-R135 PolarHBondContact OG-NH1 3.33Å; S43-R135 VanDerWaalsContact OG-NH1 3.1Å |
| 44 | Y | 80 | Confident | 82.2 | Confident | 103 Ų | 103 | 51.4 Ų | 51.4 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | -178.2 | -178.7 | -103.4 | 0 | 0 | 0 | 112 | D41 T42 Y52 W59 | D41-Y44 WeakPolarHBondContact O-CB 3.35Å; D41-Y44 PolarHBondContact O-N 3.24Å; T42-Y44 VanDerWaalsContact C-N 3.28Å; T42-Y44 PolarHBondContact O-N 3.48Å; Y44-Y52 HydrophobicContact CE2-CE2 4.28Å; Y44-Y52 PolarHBondContact OH-OH 3Å; Y44-W59 HydrophobicContact CD1-CH2 4.47Å; Y44-W59 AromaticContact CE1-CH2 3.92Å; Y44-W59 HydrophobicContact CE1-CH2 3.92Å; Y44-W59 WeakPolarHBondContact O-CZ3 3.34Å |
| 45 | A | 78.9 | Confident | 81.2 | Confident | 45 Ų | 45 | 54 Ų | 54 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -82 | -27.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W61 | A45-W61 PolarHBondContact O-NE1 2.94Å |
| 46 | L | 82.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -113 | -14.3 | -172.6 | -61.4 | -177.2 | 0 | 0 | 0 | 113.8 | L33 T42 T65 H66 V69 | L33-L46 HydrophobicContact CD1-CD1 4.35Å; L33-L46 HydrophobicContact CD2-CD1 3.82Å; T42-L46 HydrophobicContact CG2-CD1 3.56Å; T42-L46 HydrophobicContact CG2-CG 4.29Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.88Å; T42-L46 VanDerWaalsContact O-N 3.12Å; L46-T65 HydrophobicContact CD2-CG2 4.14Å; L46-T65 PolarHBondContact O-OG1 2.92Å; L46-H66 WeakPolarHBondContact O-CA 3.25Å; L46-H66 PolarHBondContact O-N 3.21Å; L46-V69 HydrophobicContact CB-CG2 3.54Å; L46-V69 HydrophobicContact CD1-CG2 3.97Å; L46-V69 HydrophobicContact CG-CG2 4.42Å |
| 47 | G | 82 | Confident | 79.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -76.2 | 145.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | S43 T49 T62 | S43-G47 VanDerWaalsContact O-CA 3.32Å; S43-G47 WeakPolarHBondContact O-CA 3.29Å; S43-G47 PolarHBondContact O-N 3.25Å; G47-T49 PolarHBondContact O-N 3.01Å; G47-T49 VanDerWaalsContact O-N 3.16Å; G47-T62 WeakPolarHBondContact O-CG2 3.39Å |
| 48 | V | 82.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 111.3 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 107.8 | T62 L63 H66 I136 | V48-T62 VanDerWaalsContact CG2-C 3.47Å; V48-T62 VanDerWaalsContact CG2-O 3.3Å; V48-T62 WeakPolarHBondContact CG2-O 3.38Å; V48-L63 HydrophobicContact CG2-CD2 4.12Å; V48-H66 HydrophobicContact CB-CB 4.36Å; V48-H66 HydrophobicContact CG2-CB 3.78Å; V48-I136 HydrophobicContact CB-CB 4.18Å; V48-I136 HydrophobicContact CB-CD1 4.43Å; V48-I136 HydrophobicContact CG1-CD1 4.04Å; V48-I136 PolarHBondContact N-O 3.21Å; V48-I136 PolarHBondContact O-N 3.39Å |
| 49 | T | 84.3 | Confident | 79.5 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | trans | -102.3 | 115.4 | 167 | -55.1 | 0 | 0 | 0 | 0 | 107.1 | G47 G51 Y52 L53 L131 | G47-T49 PolarHBondContact O-N 3.01Å; G47-T49 VanDerWaalsContact O-N 3.16Å; T49-G51 PolarHBondContact O-N 3.38Å; T49-G51 VanDerWaalsContact O-N 3.1Å; T49-Y52 HydrophobicContact CG2-CD2 3.67Å; T49-Y52 HydrophobicContact CG2-CE2 3.99Å; T49-Y52 HydrophobicContact CG2-CG 4.48Å; T49-Y52 PolarHBondContact O-N 2.9Å; T49-L53 PolarHBondContact O-N 3Å; T49-L131 WeakPolarHBondContact CG2-O 3.36Å | ||
| 50 | P | 78.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.1 | -37.8 | -174.5 | -27.5 | 34.3 | 0 | 0 | 0 | 113.1 | Y52 L53 F54 Y118 L131 V134 I136 | P50-Y52 VanDerWaalsContact C-N 3.34Å; P50-Y52 PolarHBondContact O-N 3.29Å; P50-L53 PolarHBondContact O-N 3.49Å; P50-F54 WeakPolarHBondContact O-CD2 3.46Å; P50-Y118 HydrophobicContact CG-CD2 4.14Å; P50-Y118 HydrophobicContact CG-CG 4.1Å; P50-L131 HydrophobicContact CB-CG 4.47Å; P50-V134 VanDerWaalsContact CD-O 3.29Å; P50-V134 WeakPolarHBondContact CD-O 2.89Å; P50-I136 HydrophobicContact CG-CD1 4.49Å |
| 51 | G | 77.8 | Confident | 79.7 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T49 L131 | T49-G51 PolarHBondContact O-N 3.38Å; T49-G51 VanDerWaalsContact O-N 3.1Å; G51-L131 VanDerWaalsContact CA-CD2 3.46Å; G51-L131 PolarHBondContact N-O 2.87Å |
| 52 | Y | 81.2 | Confident | 80 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -95.2 | -8.9 | 177.6 | -61 | -49.5 | 0 | 0 | 0 | 113.5 | Y44 T49 P50 N57 F58 W59 F132 | Y44-Y52 HydrophobicContact CE2-CE2 4.28Å; Y44-Y52 PolarHBondContact OH-OH 3Å; T49-Y52 HydrophobicContact CG2-CD2 3.67Å; T49-Y52 HydrophobicContact CG2-CE2 3.99Å; T49-Y52 HydrophobicContact CG2-CG 4.48Å; T49-Y52 PolarHBondContact O-N 2.9Å; P50-Y52 VanDerWaalsContact C-N 3.34Å; P50-Y52 PolarHBondContact O-N 3.29Å; Y52-N57 HydrophobicContact CD1-CB 4.43Å; Y52-F58 PolarHBondContact O-N 3.5Å; Y52-W59 HydrophobicContact CD2-CE3 4.17Å; Y52-W59 HydrophobicContact CD2-CH2 4.37Å; Y52-W59 AromaticContact CD2-CZ3 3.98Å; Y52-W59 HydrophobicContact CD2-CZ3 3.98Å; Y52-W59 HydrophobicContact CG-CD2 4.46Å; Y52-W59 HydrophobicContact CG-CE3 4.34Å; Y52-W59 HydrophobicContact CG-CZ3 4.49Å; Y52-W59 PolarHBondContact O-N 2.89Å; Y52-F132 HydrophobicContact CE1-CD1 4.47Å; Y52-F132 HydrophobicContact CE1-CE1 4.23Å |
| 53 | L | 79.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.6 | -33.1 | 175 | -173.2 | 63 | 0 | 0 | 0 | 111.7 | T49 P50 L63 | T49-L53 PolarHBondContact O-N 3Å; P50-L53 PolarHBondContact O-N 3.49Å; L53-L63 HydrophobicContact CD1-CD1 3.98Å; L53-L63 HydrophobicContact CD1-CD2 3.74Å; L53-L63 HydrophobicContact CD1-CG 3.81Å; L53-L63 HydrophobicContact CD2-CD2 4.02Å |
| 54 | F | 75.8 | Confident | 80.9 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 25% | 0.25 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -89.3 | 162.3 | 178.5 | -63.3 | -69.8 | 0 | 0 | 0 | 111.3 | P50 L116 L119 | P50-F54 WeakPolarHBondContact O-CD2 3.46Å; F54-L116 HydrophobicContact CE1-CD2 4.36Å; F54-L116 HydrophobicContact CZ-CD2 4.04Å; F54-L119 HydrophobicContact CD1-CD2 4.41Å; F54-L119 HydrophobicContact CD2-CD1 4.12Å; F54-L119 HydrophobicContact CD2-CD2 4.31Å; F54-L119 HydrophobicContact CE1-CD2 3.85Å; F54-L119 HydrophobicContact CE2-CB 3.82Å; F54-L119 HydrophobicContact CE2-CD1 4.07Å; F54-L119 HydrophobicContact CE2-CD2 3.76Å; F54-L119 HydrophobicContact CE2-CG 4.08Å; F54-L119 HydrophobicContact CZ-CB 4.13Å; F54-L119 HydrophobicContact CZ-CD2 3.51Å; F54-L119 HydrophobicContact CZ-CG 4.29Å |
| 55 | P | 67.5 | Low | 81.3 | Confident | 85 Ų | 85 | 47 Ų | 47 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 140.4 | 176.7 | -3.5 | -1.9 | 0 | 0 | 0 | 111.2 | F58 | P55-F58 HydrophobicContact CB-CE1 4.33Å; P55-F58 HydrophobicContact CB-CE2 3.63Å; P55-F58 HydrophobicContact CB-CZ 3.54Å; P55-F58 HydrophobicContact CG-CE1 3.95Å; P55-F58 HydrophobicContact CG-CE2 4.08Å; P55-F58 HydrophobicContact CG-CZ 3.43Å; P55-F58 VanDerWaalsContact CG-CZ 3.43Å |
| 56 | P | 69.6 | Low | 81.7 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 72% | 0.721 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -97.4 | -13.7 | 18.3 | 34.1 | -34.3 | 0 | 0 | 0 | 117 | ||
| 57 | N | 78.1 | Confident | 81.9 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -28.2 | -167.2 | -71.4 | -58.2 | 0 | 0 | 0 | 114.9 | Y52 W59 | Y52-N57 HydrophobicContact CD1-CB 4.43Å; N57-W59 PolarHBondContact O-N 3.4Å |
| 58 | F | 81.9 | Confident | 82.2 | Confident | 112 Ų | 112 | 44.6 Ų | 44.6 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | trans | 44.8 | 58.1 | 178 | -66.4 | -76.8 | 0 | 0 | 0 | 114.7 | Y52 P55 V60 | Y52-F58 PolarHBondContact O-N 3.5Å; P55-F58 HydrophobicContact CB-CE1 4.33Å; P55-F58 HydrophobicContact CB-CE2 3.63Å; P55-F58 HydrophobicContact CB-CZ 3.54Å; P55-F58 HydrophobicContact CG-CE1 3.95Å; P55-F58 HydrophobicContact CG-CE2 4.08Å; P55-F58 HydrophobicContact CG-CZ 3.43Å; P55-F58 VanDerWaalsContact CG-CZ 3.43Å; F58-V60 HydrophobicContact CB-CG2 4.47Å; F58-V60 PolarHBondContact O-N 3.25Å | ||
| 59 | W | 84.9 | Confident | 82.5 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | trans | -75.4 | 62.9 | 178.2 | -72.1 | 10.1 | 0 | 0 | 0 | 112.6 | Y44 Y52 N57 W61 T62 | Y44-W59 HydrophobicContact CD1-CH2 4.47Å; Y44-W59 AromaticContact CE1-CH2 3.92Å; Y44-W59 HydrophobicContact CE1-CH2 3.92Å; Y44-W59 WeakPolarHBondContact O-CZ3 3.34Å; Y52-W59 HydrophobicContact CD2-CE3 4.17Å; Y52-W59 HydrophobicContact CD2-CH2 4.37Å; Y52-W59 AromaticContact CD2-CZ3 3.98Å; Y52-W59 HydrophobicContact CD2-CZ3 3.98Å; Y52-W59 HydrophobicContact CG-CD2 4.46Å; Y52-W59 HydrophobicContact CG-CE3 4.34Å; Y52-W59 HydrophobicContact CG-CZ3 4.49Å; Y52-W59 PolarHBondContact O-N 2.89Å; N57-W59 PolarHBondContact O-N 3.4Å; W59-W61 HydrophobicContact CB-CD2 4.49Å; W59-W61 HydrophobicContact CB-CH2 3.96Å; W59-W61 HydrophobicContact CB-CZ2 3.86Å; W59-W61 HydrophobicContact CB-CZ3 4.28Å; W59-W61 AromaticContact CD1-CH2 3.11Å; W59-W61 AromaticContact CD1-CZ2 3.55Å; W59-W61 AromaticContact CD1-CZ3 3.86Å; W59-W61 HydrophobicContact CD2-CH2 4.04Å; W59-W61 AromaticContact CD2-CZ2 3.63Å; W59-W61 HydrophobicContact CD2-CZ2 3.63Å; W59-W61 AromaticContact CE2-CZ2 3.9Å; W59-W61 HydrophobicContact CE3-CZ2 4.29Å; W59-W61 AromaticContact CG-CH2 3.46Å; W59-W61 HydrophobicContact CG-CH2 3.46Å; W59-W61 VanDerWaalsContact CG-CH2 3.46Å; W59-W61 AromaticContact CG-CZ2 3.42Å; W59-W61 HydrophobicContact CG-CZ2 3.42Å; W59-W61 VanDerWaalsContact CG-CZ2 3.42Å; W59-W61 HydrophobicContact CG-CZ3 4.19Å; W59-W61 AromaticContact NE1-CH2 3.52Å; W59-W61 AromaticContact NE1-CZ2 3.82Å; W59-W61 PolarHBondContact O-N 3.36Å; W59-T62 HydrophobicContact CB-CG2 3.92Å; W59-T62 HydrophobicContact CE3-CG2 4.12Å; W59-T62 WeakPolarHBondContact O-CB 3.46Å; W59-T62 PolarHBondContact O-N 2.98Å; W59-T62 VanDerWaalsContact O-N 3.12Å; W59-T62 PolarHBondContact O-OG1 3.42Å | ||
| 60 | V | 86 | Confident | 82.7 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 52% | 0.521 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.9 | -174 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | F58 T62 L63 | F58-V60 HydrophobicContact CB-CG2 4.47Å; F58-V60 PolarHBondContact O-N 3.25Å; V60-T62 PolarHBondContact O-N 2.85Å; V60-L63 HydrophobicContact CG1-CD1 4.13Å; V60-L63 VanDerWaalsContact O-CB 3.3Å; V60-L63 WeakPolarHBondContact O-CB 3.3Å; V60-L63 WeakPolarHBondContact O-CG 3.29Å; V60-L63 PolarHBondContact O-N 3.4Å; V60-L63 VanDerWaalsContact O-N 3.16Å |
| 61 | W | 86.6 | Confident | 83 | Confident | 126 Ų | 126 | 48 Ų | 48 | 48% | 0.477 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.3 | 178.1 | 65.3 | 85.9 | 0 | 0 | 0 | 112.9 | A45 W59 L63 V64 T65 | A45-W61 PolarHBondContact O-NE1 2.94Å; W59-W61 HydrophobicContact CB-CD2 4.49Å; W59-W61 HydrophobicContact CB-CH2 3.96Å; W59-W61 HydrophobicContact CB-CZ2 3.86Å; W59-W61 HydrophobicContact CB-CZ3 4.28Å; W59-W61 AromaticContact CD1-CH2 3.11Å; W59-W61 AromaticContact CD1-CZ2 3.55Å; W59-W61 AromaticContact CD1-CZ3 3.86Å; W59-W61 HydrophobicContact CD2-CH2 4.04Å; W59-W61 AromaticContact CD2-CZ2 3.63Å; W59-W61 HydrophobicContact CD2-CZ2 3.63Å; W59-W61 AromaticContact CE2-CZ2 3.9Å; W59-W61 HydrophobicContact CE3-CZ2 4.29Å; W59-W61 AromaticContact CG-CH2 3.46Å; W59-W61 HydrophobicContact CG-CH2 3.46Å; W59-W61 VanDerWaalsContact CG-CH2 3.46Å; W59-W61 AromaticContact CG-CZ2 3.42Å; W59-W61 HydrophobicContact CG-CZ2 3.42Å; W59-W61 VanDerWaalsContact CG-CZ2 3.42Å; W59-W61 HydrophobicContact CG-CZ3 4.19Å; W59-W61 AromaticContact NE1-CH2 3.52Å; W59-W61 AromaticContact NE1-CZ2 3.82Å; W59-W61 PolarHBondContact O-N 3.36Å; W61-L63 PolarHBondContact O-N 3.33Å; W61-V64 PolarHBondContact O-N 2.77Å; W61-V64 VanDerWaalsContact O-N 3.1Å; W61-T65 PolarHBondContact O-N 3.25Å; W61-T65 PolarHBondContact O-OG1 2.79Å |
| 62 | T | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 178 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | G47 V48 W59 V60 V64 T65 H66 | G47-T62 WeakPolarHBondContact O-CG2 3.39Å; V48-T62 VanDerWaalsContact CG2-C 3.47Å; V48-T62 VanDerWaalsContact CG2-O 3.3Å; V48-T62 WeakPolarHBondContact CG2-O 3.38Å; W59-T62 HydrophobicContact CB-CG2 3.92Å; W59-T62 HydrophobicContact CE3-CG2 4.12Å; W59-T62 WeakPolarHBondContact O-CB 3.46Å; W59-T62 PolarHBondContact O-N 2.98Å; W59-T62 VanDerWaalsContact O-N 3.12Å; W59-T62 PolarHBondContact O-OG1 3.42Å; V60-T62 PolarHBondContact O-N 2.85Å; T62-V64 PolarHBondContact O-N 3.02Å; T62-T65 WeakPolarHBondContact CA-OG1 3.24Å; T62-T65 PolarHBondContact O-N 3.06Å; T62-H66 VanDerWaalsContact O-CB 3.29Å; T62-H66 WeakPolarHBondContact O-CB 3.36Å; T62-H66 PolarHBondContact O-N 2.89Å; T62-H66 PolarHBondContact O-ND1 3.02Å |
| 63 | L | 87.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -29.7 | 174.2 | -60.5 | 177.4 | 0 | 0 | 0 | 113.4 | V48 L53 V60 W61 H66 V108 V112 | V48-L63 HydrophobicContact CG2-CD2 4.12Å; L53-L63 HydrophobicContact CD1-CD1 3.98Å; L53-L63 HydrophobicContact CD1-CD2 3.74Å; L53-L63 HydrophobicContact CD1-CG 3.81Å; L53-L63 HydrophobicContact CD2-CD2 4.02Å; V60-L63 HydrophobicContact CG1-CD1 4.13Å; V60-L63 VanDerWaalsContact O-CB 3.3Å; V60-L63 WeakPolarHBondContact O-CB 3.3Å; V60-L63 WeakPolarHBondContact O-CG 3.29Å; V60-L63 PolarHBondContact O-N 3.4Å; V60-L63 VanDerWaalsContact O-N 3.16Å; W61-L63 PolarHBondContact O-N 3.33Å; L63-H66 PolarHBondContact O-CE1 3.31Å; L63-H66 PolarHBondContact O-ND1 2.98Å; L63-V108 HydrophobicContact CB-CG1 4.45Å; L63-V112 HydrophobicContact CD1-CG2 3.61Å; L63-V112 HydrophobicContact CD2-CG2 3.87Å; L63-V112 HydrophobicContact CG-CG2 4.35Å |
| 64 | V | 85.9 | Confident | 84 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -91.3 | -38.8 | 177.2 | -177 | 0 | 0 | 0 | 0 | 110.6 | W61 T62 V108 | W61-V64 PolarHBondContact O-N 2.77Å; W61-V64 VanDerWaalsContact O-N 3.1Å; T62-V64 PolarHBondContact O-N 3.02Å; V64-V108 HydrophobicContact CG2-CG2 3.7Å |
| 65 | T | 88.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -86.7 | -24.2 | -168.1 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | L46 W61 T62 G67 L68 | L46-T65 HydrophobicContact CD2-CG2 4.14Å; L46-T65 PolarHBondContact O-OG1 2.92Å; W61-T65 PolarHBondContact O-N 3.25Å; W61-T65 PolarHBondContact O-OG1 2.79Å; T62-T65 WeakPolarHBondContact CA-OG1 3.24Å; T62-T65 PolarHBondContact O-N 3.06Å; T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 2.92Å; T65-L68 WeakPolarHBondContact O-CB 3.47Å; T65-L68 PolarHBondContact O-N 3.37Å |
| 66 | H | 88.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59.3 | -34.4 | -177.5 | 72.4 | -73 | 0 | 0 | 0 | 114.2 | L46 V48 T62 L63 L68 V69 N107 G138 | L46-H66 WeakPolarHBondContact O-CA 3.25Å; L46-H66 PolarHBondContact O-N 3.21Å; V48-H66 HydrophobicContact CB-CB 4.36Å; V48-H66 HydrophobicContact CG2-CB 3.78Å; T62-H66 VanDerWaalsContact O-CB 3.29Å; T62-H66 WeakPolarHBondContact O-CB 3.36Å; T62-H66 PolarHBondContact O-N 2.89Å; T62-H66 PolarHBondContact O-ND1 3.02Å; L63-H66 PolarHBondContact O-CE1 3.31Å; L63-H66 PolarHBondContact O-ND1 2.98Å; H66-L68 PolarHBondContact O-N 3.31Å; H66-V69 PolarHBondContact O-N 3.39Å; H66-N107 PolarHBondContact CE1-O 2.83Å; H66-G138 PolarHBondContact O-N 3.37Å |
| 67 | G | 85.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -70.5 | -12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T65 | T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 2.92Å |
| 68 | L | 88.5 | Confident | 86.8 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -99.2 | -12.1 | 179.2 | -62.7 | 169.8 | 0 | 0 | 0 | 112.9 | I26 V29 V30 L33 T65 H66 F103 | I26-L68 HydrophobicContact CG2-CD2 3.9Å; V29-L68 HydrophobicContact CG1-CD1 4.03Å; V30-L68 HydrophobicContact CG2-CB 4.43Å; V30-L68 HydrophobicContact CG2-CD2 3.86Å; L33-L68 HydrophobicContact CD1-CB 3.76Å; T65-L68 WeakPolarHBondContact O-CB 3.47Å; T65-L68 PolarHBondContact O-N 3.37Å; H66-L68 PolarHBondContact O-N 3.31Å; L68-F103 HydrophobicContact CD2-CE1 4.23Å; L68-F103 HydrophobicContact CD2-CZ 3.59Å; L68-F103 HydrophobicContact CG-CZ 4.19Å |
| 69 | V | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -98.1 | 120.1 | -175 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | L33 T42 L46 H66 G138 | L33-V69 HydrophobicContact CD1-CG2 4.21Å; T42-V69 HydrophobicContact CG2-CG1 4.33Å; T42-V69 HydrophobicContact CG2-CG2 4.29Å; L46-V69 HydrophobicContact CB-CG2 3.54Å; L46-V69 HydrophobicContact CD1-CG2 3.97Å; L46-V69 HydrophobicContact CG-CG2 4.42Å; H66-V69 PolarHBondContact O-N 3.39Å; V69-G138 VanDerWaalsContact O-CA 3.24Å; V69-G138 WeakPolarHBondContact O-CA 3.35Å; V69-G138 PolarHBondContact O-N 2.85Å | ||
| 70 | E | 88.2 | Confident | 87.5 | Confident | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | trans | -119.2 | 147.8 | 174.6 | -71.4 | -69.2 | 173.5 | 0 | 0 | 109.7 | V30 V76 G138 A139 | V30-E70 HydrophobicContact CG1-CG 4.31Å; E70-V76 HydrophobicContact CB-CG2 3.65Å; E70-V76 HydrophobicContact CG-CG2 4.35Å; E70-G138 WeakPolarHBondContact OE1-CA 3.5Å; E70-A139 PolarHBondContact OE1-N 3.32Å | ||
| 71 | Q | 84.7 | Confident | 87.6 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -107.1 | -21.8 | 177.5 | -65.8 | -67 | -88.2 | 0 | 0 | 112.4 | Y34 Y137 | Y34-Q71 WeakPolarHBondContact CE2-O 3.28Å; Q71-Y137 HydrophobicContact CB-CE2 3.91Å; Q71-Y137 HydrophobicContact CG-CD2 3.95Å; Q71-Y137 HydrophobicContact CG-CE1 4.42Å; Q71-Y137 HydrophobicContact CG-CE2 3.59Å |
| 72 | H | 86.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -116.7 | 142.4 | -174.4 | -52.5 | 98 | 0 | 0 | 0 | 110.9 | W74 G75 V76 | H72-W74 HydrophobicContact CB-CD2 4.07Å; H72-W74 HydrophobicContact CB-CG 4.07Å; H72-W74 HydrophobicContact CB-CZ2 4.08Å; H72-W74 AromaticContact CD2-NE1 3.94Å; H72-W74 AromaticContact CG-CE2 3.8Å; H72-W74 AromaticContact CG-CZ2 3.93Å; H72-W74 AromaticContact CG-NE1 3.53Å; H72-W74 AromaticContact ND1-CZ2 3.74Å; H72-W74 PolarHBondContact O-N 3.37Å; H72-G75 WeakPolarHBondContact O-CA 3.32Å; H72-G75 PolarHBondContact O-N 3.23Å; H72-V76 PolarHBondContact O-N 3.19Å |
| 73 | V | 86.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 37.7 Ų | 37.7 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56.1 | -39 | 177 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | Y34 G75 V76 A77 | Y34-V73 HydrophobicContact CE1-CG2 4.28Å; Y34-V73 WeakPolarHBondContact OH-CG2 3.46Å; V73-G75 VanDerWaalsContact C-N 3.31Å; V73-G75 PolarHBondContact O-N 3.49Å; V73-V76 PolarHBondContact O-N 2.98Å; V73-A77 PolarHBondContact O-N 2.63Å |
| 74 | W | 85.4 | Confident | 87.9 | Confident | 171 Ų | 171 | 37.6 Ų | 37.6 | 65% | 0.648 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.5 | -32.9 | 177.2 | 62.3 | -101.8 | 0 | 0 | 0 | 112.2 | H72 A77 A78 | H72-W74 HydrophobicContact CB-CD2 4.07Å; H72-W74 HydrophobicContact CB-CG 4.07Å; H72-W74 HydrophobicContact CB-CZ2 4.08Å; H72-W74 AromaticContact CD2-NE1 3.94Å; H72-W74 AromaticContact CG-CE2 3.8Å; H72-W74 AromaticContact CG-CZ2 3.93Å; H72-W74 AromaticContact CG-NE1 3.53Å; H72-W74 AromaticContact ND1-CZ2 3.74Å; H72-W74 PolarHBondContact O-N 3.37Å; W74-A77 PolarHBondContact O-N 3.27Å; W74-A78 WeakPolarHBondContact O-CB 3.34Å; W74-A78 PolarHBondContact O-N 3.46Å |
| 75 | G | 85.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H72 V73 A78 S79 | H72-G75 WeakPolarHBondContact O-CA 3.32Å; H72-G75 PolarHBondContact O-N 3.23Å; V73-G75 VanDerWaalsContact C-N 3.31Å; V73-G75 PolarHBondContact O-N 3.49Å; G75-A78 PolarHBondContact O-N 2.78Å; G75-S79 VanDerWaalsContact O-CB 3.32Å; G75-S79 WeakPolarHBondContact O-CB 3.41Å; G75-S79 PolarHBondContact O-N 2.91Å; G75-S79 PolarHBondContact O-OG 3.23Å |
| 76 | V | 88.5 | Confident | 87.9 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 171.2 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | V30 V31 Y34 E70 H72 V73 A78 S79 V80 | V30-V76 HydrophobicContact CG1-CG1 4.39Å; V31-V76 HydrophobicContact CG2-CG1 4.16Å; Y34-V76 HydrophobicContact CD1-CG2 3.97Å; Y34-V76 HydrophobicContact CD2-CG2 3.52Å; Y34-V76 HydrophobicContact CE2-CG2 4.16Å; Y34-V76 HydrophobicContact CG-CG2 3.42Å; Y34-V76 VanDerWaalsContact CG-CG2 3.42Å; E70-V76 HydrophobicContact CB-CG2 3.65Å; E70-V76 HydrophobicContact CG-CG2 4.35Å; H72-V76 PolarHBondContact O-N 3.19Å; V73-V76 PolarHBondContact O-N 2.98Å; V76-A78 VanDerWaalsContact C-N 3.35Å; V76-A78 PolarHBondContact O-N 2.98Å; V76-S79 VanDerWaalsContact CA-OG 3.31Å; V76-S79 WeakPolarHBondContact CA-OG 3.09Å; V76-S79 PolarHBondContact O-N 3.2Å; V76-S79 PolarHBondContact O-OG 3.16Å; V76-V80 HydrophobicContact CG1-CG2 4.22Å; V76-V80 WeakPolarHBondContact O-CB 3.37Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.32Å |
| 77 | A | 88.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 34.4 Ų | 34.4 | 54% | 0.537 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V73 W74 G81 | V73-A77 PolarHBondContact O-N 2.63Å; W74-A77 PolarHBondContact O-N 3.27Å; A77-G81 PolarHBondContact O-N 3.34Å |
| 78 | A | 87.9 | Confident | 87.8 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W74 G75 V76 G81 T82 | W74-A78 WeakPolarHBondContact O-CB 3.34Å; W74-A78 PolarHBondContact O-N 3.46Å; G75-A78 PolarHBondContact O-N 2.78Å; V76-A78 VanDerWaalsContact C-N 3.35Å; V76-A78 PolarHBondContact O-N 2.98Å; A78-G81 PolarHBondContact O-N 3.28Å; A78-T82 VanDerWaalsContact O-CB 3.31Å; A78-T82 WeakPolarHBondContact O-CB 3.18Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.94Å |
| 79 | S | 90.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | V30 G75 V76 G81 T82 V83 | V30-S79 WeakPolarHBondContact CG1-OG 3.36Å; G75-S79 VanDerWaalsContact O-CB 3.32Å; G75-S79 WeakPolarHBondContact O-CB 3.41Å; G75-S79 PolarHBondContact O-N 2.91Å; G75-S79 PolarHBondContact O-OG 3.23Å; V76-S79 VanDerWaalsContact CA-OG 3.31Å; V76-S79 WeakPolarHBondContact CA-OG 3.09Å; V76-S79 PolarHBondContact O-N 3.2Å; V76-S79 PolarHBondContact O-OG 3.16Å; S79-G81 VanDerWaalsContact C-N 3.33Å; S79-G81 PolarHBondContact O-N 2.99Å; S79-T82 WeakPolarHBondContact O-CB 3.09Å; S79-T82 PolarHBondContact O-N 3.12Å; S79-V83 VanDerWaalsContact O-CG2 3.3Å; S79-V83 WeakPolarHBondContact O-CG2 3.49Å; S79-V83 PolarHBondContact O-N 2.92Å |
| 80 | V | 90.8 | Very high | 87.5 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | V31 V76 T82 V83 M84 | V31-V80 HydrophobicContact CG2-CG2 4.2Å; V76-V80 HydrophobicContact CG1-CG2 4.22Å; V76-V80 WeakPolarHBondContact O-CB 3.37Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.32Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.32Å; V80-V83 PolarHBondContact O-N 3.06Å; V80-M84 WeakPolarHBondContact O-CB 3.43Å; V80-M84 PolarHBondContact O-N 3.45Å |
| 81 | G | 88.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A77 A78 S79 M84 A85 | A77-G81 PolarHBondContact O-N 3.34Å; A78-G81 PolarHBondContact O-N 3.28Å; S79-G81 VanDerWaalsContact C-N 3.33Å; S79-G81 PolarHBondContact O-N 2.99Å; G81-M84 PolarHBondContact O-N 2.83Å; G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 2.94Å |
| 82 | T | 88.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | A78 S79 V80 M84 A85 C86 F142 L143 V146 | A78-T82 VanDerWaalsContact O-CB 3.31Å; A78-T82 WeakPolarHBondContact O-CB 3.18Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.94Å; S79-T82 WeakPolarHBondContact O-CB 3.09Å; S79-T82 PolarHBondContact O-N 3.12Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.32Å; T82-M84 VanDerWaalsContact C-N 3.3Å; T82-M84 PolarHBondContact O-N 2.83Å; T82-A85 PolarHBondContact O-N 2.86Å; T82-C86 WeakPolarHBondContact O-CB 3.21Å; T82-C86 PolarHBondContact O-N 3.46Å; T82-F142 HydrophobicContact CG2-CD1 3.93Å; T82-F142 HydrophobicContact CG2-CE1 4.1Å; T82-L143 HydrophobicContact CG2-CB 4.08Å; T82-L143 HydrophobicContact CG2-CD1 3.85Å; T82-L143 WeakPolarHBondContact OG1-CD1 3.31Å; T82-V146 HydrophobicContact CG2-CB 3.99Å; T82-V146 HydrophobicContact CG2-CG1 3.99Å; T82-V146 HydrophobicContact CG2-CG2 4.04Å |
| 83 | V | 90.8 | Very high | 87.2 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V23 I26 S79 V80 C86 G87 F142 | V23-V83 HydrophobicContact CB-CG1 4.46Å; V23-V83 HydrophobicContact CG1-CG1 4.01Å; I26-V83 HydrophobicContact CB-CG1 4.09Å; I26-V83 HydrophobicContact CG2-CG1 3.89Å; I26-V83 HydrophobicContact CG2-CG2 3.91Å; S79-V83 VanDerWaalsContact O-CG2 3.3Å; S79-V83 WeakPolarHBondContact O-CG2 3.49Å; S79-V83 PolarHBondContact O-N 2.92Å; V80-V83 PolarHBondContact O-N 3.06Å; V83-C86 WeakPolarHBondContact O-CB 3.22Å; V83-C86 PolarHBondContact O-N 2.91Å; V83-G87 PolarHBondContact O-N 3.13Å; V83-F142 HydrophobicContact CG2-CD1 4.15Å; V83-F142 HydrophobicContact CG2-CE1 3.73Å |
| 84 | M | 88.8 | Confident | 87.1 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.6 | -166.1 | 68.9 | 60.7 | 0 | 0 | 112.2 | L16 T19 V23 V80 G81 T82 C86 G87 R88 | L16-M84 HydrophobicContact CD1-CE 4.33Å; L16-M84 HydrophobicContact CD2-CE 3.65Å; L16-M84 HydrophobicContact CG-CE 3.61Å; L16-M84 HydrophobicContact CG-SD 4.31Å; T19-M84 HydrophobicContact CG2-SD 3.37Å; T19-M84 WeakPolarHBondContact CG2-SD 3.17Å; V23-M84 HydrophobicContact CG1-SD 4.18Å; V80-M84 WeakPolarHBondContact O-CB 3.43Å; V80-M84 PolarHBondContact O-N 3.45Å; G81-M84 PolarHBondContact O-N 2.83Å; T82-M84 VanDerWaalsContact C-N 3.3Å; T82-M84 PolarHBondContact O-N 2.83Å; M84-C86 VanDerWaalsContact C-N 3.32Å; M84-G87 PolarHBondContact O-N 3.34Å; M84-R88 WeakPolarHBondContact O-CG 3.44Å; M84-R88 PolarHBondContact O-N 3.36Å |
| 85 | A | 86.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | G81 T82 R88 L89 | G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 2.94Å; T82-A85 PolarHBondContact O-N 2.86Å; A85-R88 PolarHBondContact O-N 3.13Å; A85-L89 HydrophobicContact CB-CD1 4.43Å; A85-L89 VanDerWaalsContact O-CB 3.25Å; A85-L89 WeakPolarHBondContact O-CB 3Å; A85-L89 WeakPolarHBondContact O-CD1 3.39Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.04Å; A85-L89 PolarHBondContact O-N 2.84Å |
| 86 | C | 88.4 | Confident | 87.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 174.5 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | T82 V83 M84 R88 L89 L90 E91 L99 F142 V146 | T82-C86 WeakPolarHBondContact O-CB 3.21Å; T82-C86 PolarHBondContact O-N 3.46Å; V83-C86 WeakPolarHBondContact O-CB 3.22Å; V83-C86 PolarHBondContact O-N 2.91Å; M84-C86 VanDerWaalsContact C-N 3.32Å; C86-R88 PolarHBondContact O-N 2.86Å; C86-L89 PolarHBondContact O-N 3.41Å; C86-L90 WeakPolarHBondContact O-CA 3.31Å; C86-L90 WeakPolarHBondContact O-CB 3.16Å; C86-L90 PolarHBondContact O-N 2.87Å; C86-E91 PolarHBondContact O-N 3.35Å; C86-L99 WeakPolarHBondContact SG-CD1 3.36Å; C86-F142 HydrophobicContact CB-CE1 4.45Å; C86-F142 HydrophobicContact CB-CZ 4.27Å; C86-V146 HydrophobicContact CB-CG1 4.13Å; C86-V146 HydrophobicContact CB-CG2 4.05Å |
| 87 | G | 87.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | V83 M84 E91 | V83-G87 PolarHBondContact O-N 3.13Å; M84-G87 PolarHBondContact O-N 3.34Å; G87-E91 WeakPolarHBondContact O-CB 3.21Å |
| 88 | R | 85.8 | Confident | 87.2 | Confident | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.1 | -33.6 | -179.2 | -70.3 | -169.5 | -170 | 153.4 | 16 | 113.7 | A15 T19 M84 A85 C86 P92 | A15-R88 VanDerWaalsContact CB-NH1 3.26Å; A15-R88 PolarHBondContact O-NE 3.47Å; A15-R88 PolarHBondContact O-NH2 3.45Å; T19-R88 HydrophobicContact CG2-CG 3.75Å; M84-R88 WeakPolarHBondContact O-CG 3.44Å; M84-R88 PolarHBondContact O-N 3.36Å; A85-R88 PolarHBondContact O-N 3.13Å; C86-R88 PolarHBondContact O-N 2.86Å; R88-P92 WeakPolarHBondContact O-CD 3.48Å; R88-P92 WeakPolarHBondContact O-CG 3.45Å |
| 89 | L | 84.6 | Confident | 87.3 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -100 | -39.8 | -168.5 | -60.4 | 170.4 | 0 | 0 | 0 | 112.4 | A85 C86 L93 L150 M154 | A85-L89 HydrophobicContact CB-CD1 4.43Å; A85-L89 VanDerWaalsContact O-CB 3.25Å; A85-L89 WeakPolarHBondContact O-CB 3Å; A85-L89 WeakPolarHBondContact O-CD1 3.39Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.04Å; A85-L89 PolarHBondContact O-N 2.84Å; C86-L89 PolarHBondContact O-N 3.41Å; L89-L93 VanDerWaalsContact O-CD1 3.31Å; L89-L93 WeakPolarHBondContact O-CD1 3.27Å; L89-L150 HydrophobicContact CD1-CD2 3.57Å; L89-L150 HydrophobicContact CD1-CG 4.1Å; L89-M154 HydrophobicContact CB-CE 4.36Å; L89-M154 HydrophobicContact CD1-CE 3.4Å; L89-M154 HydrophobicContact CD2-CE 3.44Å; L89-M154 VanDerWaalsContact CD2-CE 3.44Å; L89-M154 HydrophobicContact CG-CE 3.89Å |
| 90 | L | 84.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -32.9 | -174.1 | -76.7 | 52.5 | 0 | 0 | 0 | 111.7 | C86 L93 W94 L99 A149 L150 | C86-L90 WeakPolarHBondContact O-CA 3.31Å; C86-L90 WeakPolarHBondContact O-CB 3.16Å; C86-L90 PolarHBondContact O-N 2.87Å; L90-L93 WeakPolarHBondContact O-CB 3.3Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-L93 VanDerWaalsContact O-N 3.09Å; L90-W94 HydrophobicContact CB-CD2 4.28Å; L90-W94 HydrophobicContact CB-CE3 4.19Å; L90-W94 HydrophobicContact CB-CH2 4.4Å; L90-W94 HydrophobicContact CB-CZ2 4.46Å; L90-W94 HydrophobicContact CB-CZ3 4.26Å; L90-W94 HydrophobicContact CD2-CE3 4.49Å; L90-W94 HydrophobicContact CD2-CH2 3.55Å; L90-W94 HydrophobicContact CD2-CZ2 4.13Å; L90-W94 HydrophobicContact CD2-CZ3 3.76Å; L90-W94 HydrophobicContact CG-CH2 3.9Å; L90-W94 HydrophobicContact CG-CZ2 3.96Å; L90-W94 HydrophobicContact CG-CZ3 4.2Å; L90-W94 PolarHBondContact O-N 3.39Å; L90-L99 HydrophobicContact CB-CD1 4.06Å; L90-A149 HydrophobicContact CD2-CB 3.52Å; L90-A149 HydrophobicContact CG-CB 4.31Å; L90-L150 HydrophobicContact CD1-CD1 3.84Å; L90-L150 HydrophobicContact CD1-CG 4.17Å |
| 91 | E | 87.1 | Confident | 87.3 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | -177.5 | -157.6 | -172.8 | 152.9 | 0 | 0 | 114.4 | S20 C86 G87 L93 W94 G95 A96 L99 | S20-E91 WeakPolarHBondContact CB-OE1 3.43Å; S20-E91 WeakPolarHBondContact CB-OE2 3.39Å; S20-E91 PolarHBondContact OG-OE1 3.48Å; S20-E91 PolarHBondContact OG-OE2 3.2Å; C86-E91 PolarHBondContact O-N 3.35Å; G87-E91 WeakPolarHBondContact O-CB 3.21Å; E91-L93 PolarHBondContact O-N 2.93Å; E91-W94 PolarHBondContact O-N 3.22Å; E91-G95 VanDerWaalsContact O-CA 3.24Å; E91-G95 WeakPolarHBondContact O-CA 3.34Å; E91-G95 PolarHBondContact O-N 2.9Å; E91-A96 HydrophobicContact CG-CB 4.35Å; E91-A96 WeakPolarHBondContact OE1-CB 3.48Å; E91-L99 HydrophobicContact CB-CD2 4.07Å; E91-L99 HydrophobicContact CG-CD2 4.05Å |
| 92 | P | 85 | Confident | 87.5 | Confident | 106 Ų | 106 | 42.9 Ų | 42.9 | 69% | 0.688 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.5 | -23.3 | 176.5 | -22.2 | 35 | 0 | 0 | 0 | 113 | R88 | R88-P92 WeakPolarHBondContact O-CD 3.48Å; R88-P92 WeakPolarHBondContact O-CG 3.45Å |
| 93 | L | 82.8 | Confident | 87.6 | Confident | 104 Ų | 104 | 43 Ų | 43 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.4 | -37.3 | -178.2 | -59 | 175.2 | 0 | 0 | 0 | 112.3 | L89 L90 E91 T153 | L89-L93 VanDerWaalsContact O-CD1 3.31Å; L89-L93 WeakPolarHBondContact O-CD1 3.27Å; L90-L93 WeakPolarHBondContact O-CB 3.3Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-L93 VanDerWaalsContact O-N 3.09Å; E91-L93 PolarHBondContact O-N 2.93Å; L93-T153 HydrophobicContact CD1-CG2 3.47Å; L93-T153 VanDerWaalsContact CD1-CG2 3.47Å |
| 94 | W | 84.6 | Confident | 87.6 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -112.7 | -22.1 | -171 | -51.7 | -14.3 | 0 | 0 | 0 | 113.6 | L90 E91 E98 F102 A149 T153 L207 | L90-W94 HydrophobicContact CB-CD2 4.28Å; L90-W94 HydrophobicContact CB-CE3 4.19Å; L90-W94 HydrophobicContact CB-CH2 4.4Å; L90-W94 HydrophobicContact CB-CZ2 4.46Å; L90-W94 HydrophobicContact CB-CZ3 4.26Å; L90-W94 HydrophobicContact CD2-CE3 4.49Å; L90-W94 HydrophobicContact CD2-CH2 3.55Å; L90-W94 HydrophobicContact CD2-CZ2 4.13Å; L90-W94 HydrophobicContact CD2-CZ3 3.76Å; L90-W94 HydrophobicContact CG-CH2 3.9Å; L90-W94 HydrophobicContact CG-CZ2 3.96Å; L90-W94 HydrophobicContact CG-CZ3 4.2Å; L90-W94 PolarHBondContact O-N 3.39Å; E91-W94 PolarHBondContact O-N 3.22Å; W94-E98 HydrophobicContact CB-CB 3.94Å; W94-E98 WeakPolarHBondContact O-CG 3.44Å; W94-F102 HydrophobicContact CZ3-CB 4.24Å; W94-F102 HydrophobicContact CZ3-CD1 4.03Å; W94-F102 HydrophobicContact CZ3-CD2 4.34Å; W94-F102 HydrophobicContact CZ3-CE1 4.46Å; W94-F102 AromaticContact CZ3-CG 3.94Å; W94-F102 HydrophobicContact CZ3-CG 3.94Å; W94-A149 HydrophobicContact CH2-CB 3.61Å; W94-A149 HydrophobicContact CZ2-CB 4.16Å; W94-T153 HydrophobicContact CZ2-CG2 4.33Å; W94-L207 HydrophobicContact CH2-CD2 3.41Å; W94-L207 VanDerWaalsContact CH2-CD2 3.41Å; W94-L207 HydrophobicContact CZ2-CD2 3.66Å; W94-L207 HydrophobicContact CZ3-CD2 4.28Å |
| 95 | G | 86.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 47 Ų | 47 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | trans | 85.5 | 160.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E91 L97 L99 | E91-G95 VanDerWaalsContact O-CA 3.24Å; E91-G95 WeakPolarHBondContact O-CA 3.34Å; E91-G95 PolarHBondContact O-N 2.9Å; G95-L97 VanDerWaalsContact C-N 3.33Å; G95-L97 PolarHBondContact O-N 2.65Å; G95-L99 PolarHBondContact O-N 3.48Å; G95-L99 VanDerWaalsContact O-N 3.17Å | ||
| 96 | A | 86.9 | Confident | 88.1 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | V22 E91 L99 L100 | V22-A96 HydrophobicContact CG2-CB 4.03Å; E91-A96 HydrophobicContact CG-CB 4.35Å; E91-A96 WeakPolarHBondContact OE1-CB 3.48Å; A96-L99 WeakPolarHBondContact O-CB 3.14Å; A96-L100 PolarHBondContact O-N 2.93Å; A96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 88.4 | Confident | 88.3 | Confident | 120 Ų | 120 | 45.4 Ų | 45.4 | 63% | 0.628 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.1 | -48.4 | -178.2 | -172.2 | 159.5 | 0 | 0 | 0 | 111 | G95 L99 L100 I101 | G95-L97 VanDerWaalsContact C-N 3.33Å; G95-L97 PolarHBondContact O-N 2.65Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 PolarHBondContact O-N 2.84Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.1Å; L97-L100 VanDerWaalsContact O-N 3.13Å; L97-I101 HydrophobicContact CD2-CD1 3.38Å; L97-I101 HydrophobicContact CD2-CG1 4Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 3.5Å |
| 98 | E | 87.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 177.9 | -66.6 | -68.9 | 172.3 | 0 | 0 | 111.1 | W94 L100 I101 F102 Y206 | W94-E98 HydrophobicContact CB-CB 3.94Å; W94-E98 WeakPolarHBondContact O-CG 3.44Å; E98-L100 PolarHBondContact O-N 3.44Å; E98-I101 PolarHBondContact O-N 3.5Å; E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 2.95Å; E98-Y206 PolarHBondContact OE2-OH 3.04Å |
| 99 | L | 89 | Confident | 88.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 171.7 | -168.8 | 70.3 | 0 | 0 | 0 | 112.3 | V23 C86 L90 E91 G95 A96 L97 F102 F103 | V23-L99 HydrophobicContact CG2-CD2 3.98Å; C86-L99 WeakPolarHBondContact SG-CD1 3.36Å; L90-L99 HydrophobicContact CB-CD1 4.06Å; E91-L99 HydrophobicContact CB-CD2 4.07Å; E91-L99 HydrophobicContact CG-CD2 4.05Å; G95-L99 PolarHBondContact O-N 3.48Å; G95-L99 VanDerWaalsContact O-N 3.17Å; A96-L99 WeakPolarHBondContact O-CB 3.14Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 PolarHBondContact O-N 2.84Å; L99-F102 PolarHBondContact O-N 3.36Å; L99-F103 WeakPolarHBondContact O-CB 3.19Å; L99-F103 PolarHBondContact O-N 2.77Å |
| 100 | L | 91 | Very high | 89 | Confident | 84 Ų | 84 | 41.7 Ų | 41.7 | 44% | 0.44 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.7 | -177.3 | 65 | 0 | 0 | 0 | 111.5 | V22 I26 A96 L97 E98 F102 F103 A104 | V22-L100 HydrophobicContact CG1-CB 4.22Å; V22-L100 HydrophobicContact CG1-CD1 4.09Å; I26-L100 HydrophobicContact CD1-CD1 4.41Å; A96-L100 PolarHBondContact O-N 2.93Å; A96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.1Å; L97-L100 VanDerWaalsContact O-N 3.13Å; E98-L100 PolarHBondContact O-N 3.44Å; L100-F102 VanDerWaalsContact C-N 3.33Å; L100-F103 PolarHBondContact O-N 2.84Å; L100-A104 WeakPolarHBondContact O-CB 3.21Å; L100-A104 PolarHBondContact O-N 3.27Å |
| 101 | I | 90.8 | Very high | 89.2 | Confident | 67 Ų | 67 | 41.7 Ų | 41.7 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -47 | 173.8 | -68.5 | 177.5 | 0 | 0 | 0 | 109.8 | L97 E98 F103 A104 V105 Y206 | L97-I101 HydrophobicContact CD2-CD1 3.38Å; L97-I101 HydrophobicContact CD2-CG1 4Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 3.5Å; E98-I101 PolarHBondContact O-N 3.5Å; I101-F103 PolarHBondContact O-N 2.95Å; I101-A104 PolarHBondContact O-N 3.35Å; I101-V105 HydrophobicContact CG2-CG2 4Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.27Å; I101-V105 WeakPolarHBondContact O-CG2 3.3Å; I101-V105 PolarHBondContact O-N 3.08Å; I101-Y206 HydrophobicContact CG2-CE2 4.03Å |
| 102 | F | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 177.8 | 179.3 | -111 | 0 | 0 | 0 | 111.6 | W94 E98 L99 L100 A104 V105 V106 F142 V146 A149 Y206 L207 | W94-F102 HydrophobicContact CZ3-CB 4.24Å; W94-F102 HydrophobicContact CZ3-CD1 4.03Å; W94-F102 HydrophobicContact CZ3-CD2 4.34Å; W94-F102 HydrophobicContact CZ3-CE1 4.46Å; W94-F102 AromaticContact CZ3-CG 3.94Å; W94-F102 HydrophobicContact CZ3-CG 3.94Å; E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 2.95Å; L99-F102 PolarHBondContact O-N 3.36Å; L100-F102 VanDerWaalsContact C-N 3.33Å; F102-A104 PolarHBondContact O-N 2.99Å; F102-V105 PolarHBondContact O-N 3.25Å; F102-V106 HydrophobicContact CD2-CG2 3.79Å; F102-V106 HydrophobicContact CE1-CG2 4.24Å; F102-V106 HydrophobicContact CE2-CG2 3.51Å; F102-V106 HydrophobicContact CG-CG2 4.32Å; F102-V106 HydrophobicContact CZ-CG2 3.75Å; F102-V106 WeakPolarHBondContact O-CB 3.12Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.25Å; F102-V106 PolarHBondContact O-N 3.47Å; F102-F142 HydrophobicContact CD1-CE2 4.06Å; F102-F142 HydrophobicContact CE1-CE2 4.16Å; F102-V146 HydrophobicContact CE1-CG2 4.19Å; F102-A149 HydrophobicContact CE1-CB 4.47Å; F102-A149 HydrophobicContact CZ-CB 4.18Å; F102-Y206 HydrophobicContact CB-CE1 4.13Å; F102-Y206 AromaticContact CD2-CD1 3.36Å; F102-Y206 HydrophobicContact CD2-CD1 3.36Å; F102-Y206 AromaticContact CD2-CE1 3.61Å; F102-Y206 HydrophobicContact CD2-CE1 3.61Å; F102-Y206 HydrophobicContact CD2-CG 4.03Å; F102-Y206 AromaticContact CE2-CD1 3.87Å; F102-Y206 HydrophobicContact CE2-CD1 3.87Å; F102-Y206 HydrophobicContact CE2-CE1 4.49Å; F102-Y206 HydrophobicContact CE2-CG 4.46Å; F102-Y206 HydrophobicContact CG-CD1 4.46Å; F102-Y206 HydrophobicContact CG-CE1 4.33Å; F102-L207 HydrophobicContact CE2-CD1 4.43Å; F102-L207 HydrophobicContact CE2-CD2 4.32Å; F102-L207 HydrophobicContact CE2-CG 4.23Å |
| 103 | F | 91.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 175.3 | 177.9 | -89.8 | 0 | 0 | 0 | 112 | I26 L68 L99 L100 I101 N107 F142 | I26-F103 HydrophobicContact CD1-CD1 4.31Å; I26-F103 HydrophobicContact CD1-CD2 4.27Å; I26-F103 HydrophobicContact CD1-CG 4.17Å; I26-F103 HydrophobicContact CG2-CE2 4.05Å; I26-F103 HydrophobicContact CG2-CZ 4.15Å; L68-F103 HydrophobicContact CD2-CE1 4.23Å; L68-F103 HydrophobicContact CD2-CZ 3.59Å; L68-F103 HydrophobicContact CG-CZ 4.19Å; L99-F103 WeakPolarHBondContact O-CB 3.19Å; L99-F103 PolarHBondContact O-N 2.77Å; L100-F103 PolarHBondContact O-N 2.84Å; I101-F103 PolarHBondContact O-N 2.95Å; F103-N107 WeakPolarHBondContact CD2-ND2 3.29Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.23Å; F103-N107 WeakPolarHBondContact CE2-ND2 3.24Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.37Å; F103-N107 WeakPolarHBondContact O-CB 3.31Å; F103-N107 PolarHBondContact O-N 3.15Å; F103-N107 VanDerWaalsContact O-N 3.11Å; F103-N107 PolarHBondContact O-ND2 2.83Å; F103-F142 HydrophobicContact CB-CD2 4.47Å; F103-F142 HydrophobicContact CB-CE2 3.91Å; F103-F142 HydrophobicContact CB-CZ 4.41Å; F103-F142 HydrophobicContact CD2-CD1 4.04Å; F103-F142 AromaticContact CD2-CD2 3.62Å; F103-F142 HydrophobicContact CD2-CD2 3.62Å; F103-F142 AromaticContact CD2-CE1 3.91Å; F103-F142 HydrophobicContact CD2-CE1 3.91Å; F103-F142 AromaticContact CD2-CE2 3.5Å; F103-F142 HydrophobicContact CD2-CE2 3.5Å; F103-F142 VanDerWaalsContact CD2-CE2 3.5Å; F103-F142 AromaticContact CD2-CG 3.89Å; F103-F142 HydrophobicContact CD2-CG 3.89Å; F103-F142 AromaticContact CD2-CZ 3.63Å; F103-F142 HydrophobicContact CD2-CZ 3.63Å; F103-F142 HydrophobicContact CE2-CD1 4.14Å; F103-F142 HydrophobicContact CE2-CD2 4.25Å; F103-F142 HydrophobicContact CE2-CE1 4.33Å; F103-F142 HydrophobicContact CE2-CE2 4.46Å; F103-F142 HydrophobicContact CE2-CG 4.09Å; F103-F142 HydrophobicContact CE2-CZ 4.48Å; F103-F142 HydrophobicContact CG-CD2 4.4Å; F103-F142 HydrophobicContact CG-CE2 4.15Å |
| 104 | A | 91.9 | Very high | 89.9 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.5 | -47.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | L100 I101 F102 V108 | L100-A104 WeakPolarHBondContact O-CB 3.21Å; L100-A104 PolarHBondContact O-N 3.27Å; I101-A104 PolarHBondContact O-N 3.35Å; F102-A104 PolarHBondContact O-N 2.99Å; A104-V108 WeakPolarHBondContact O-CB 3.3Å; A104-V108 VanDerWaalsContact O-CG2 3.24Å; A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.4Å |
| 105 | V | 91.7 | Very high | 90.1 | Very high | 60 Ų | 60 | 34 Ų | 34 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.9 | -46.6 | -178.3 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I101 F102 S109 Y206 | I101-V105 HydrophobicContact CG2-CG2 4Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.27Å; I101-V105 WeakPolarHBondContact O-CG2 3.3Å; I101-V105 PolarHBondContact O-N 3.08Å; F102-V105 PolarHBondContact O-N 3.25Å; V105-S109 VanDerWaalsContact O-CB 3.26Å; V105-S109 WeakPolarHBondContact O-CB 3.44Å; V105-S109 PolarHBondContact O-N 2.89Å; V105-S109 PolarHBondContact O-OG 3.36Å; V105-Y206 HydrophobicContact CB-CD2 4.29Å; V105-Y206 HydrophobicContact CG1-CD2 3.91Å; V105-Y206 HydrophobicContact CG2-CD2 4.48Å; V105-Y206 HydrophobicContact CG2-CE2 4.35Å |
| 106 | V | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | -179.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | F102 S109 A110 | F102-V106 HydrophobicContact CD2-CG2 3.79Å; F102-V106 HydrophobicContact CE1-CG2 4.24Å; F102-V106 HydrophobicContact CE2-CG2 3.51Å; F102-V106 HydrophobicContact CG-CG2 4.32Å; F102-V106 HydrophobicContact CZ-CG2 3.75Å; F102-V106 WeakPolarHBondContact O-CB 3.12Å; F102-V106 VanDerWaalsContact O-CG2 3.25Å; F102-V106 WeakPolarHBondContact O-CG2 3.25Å; F102-V106 PolarHBondContact O-N 3.47Å; V106-S109 PolarHBondContact O-OG 3.35Å; V106-A110 WeakPolarHBondContact O-CB 3.31Å; V106-A110 PolarHBondContact O-N 2.88Å |
| 107 | N | 92.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -50.6 | 178.9 | -76.2 | -55.9 | 0 | 0 | 0 | 111.7 | H66 F103 S109 A110 G111 | H66-N107 PolarHBondContact CE1-O 2.83Å; F103-N107 WeakPolarHBondContact CD2-ND2 3.29Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.23Å; F103-N107 WeakPolarHBondContact CE2-ND2 3.24Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.37Å; F103-N107 WeakPolarHBondContact O-CB 3.31Å; F103-N107 PolarHBondContact O-N 3.15Å; F103-N107 VanDerWaalsContact O-N 3.11Å; F103-N107 PolarHBondContact O-ND2 2.83Å; N107-S109 PolarHBondContact O-N 2.74Å; N107-A110 PolarHBondContact O-N 3.27Å; N107-G111 PolarHBondContact O-N 3.49Å |
| 108 | V | 91.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 30% | 0.303 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.6 | -46.4 | -178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L63 V64 A104 G111 V112 | L63-V108 HydrophobicContact CB-CG1 4.45Å; V64-V108 HydrophobicContact CG2-CG2 3.7Å; A104-V108 WeakPolarHBondContact O-CB 3.3Å; A104-V108 VanDerWaalsContact O-CG2 3.24Å; A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.4Å; V108-G111 PolarHBondContact O-N 3.16Å; V108-V112 HydrophobicContact CG1-CG2 4.48Å; V108-V112 VanDerWaalsContact O-CG2 3.3Å; V108-V112 WeakPolarHBondContact O-CG2 3.34Å; V108-V112 PolarHBondContact O-N 3.23Å |
| 109 | S | 90.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 30.1 Ų | 30.1 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | 180 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | V105 V106 N107 V112 L113 S202 | V105-S109 VanDerWaalsContact O-CB 3.26Å; V105-S109 WeakPolarHBondContact O-CB 3.44Å; V105-S109 PolarHBondContact O-N 2.89Å; V105-S109 PolarHBondContact O-OG 3.36Å; V106-S109 PolarHBondContact O-OG 3.35Å; N107-S109 PolarHBondContact O-N 2.74Å; S109-V112 PolarHBondContact O-N 3.1Å; S109-L113 VanDerWaalsContact O-CB 3.31Å; S109-L113 WeakPolarHBondContact O-CB 3.18Å; S109-L113 VanDerWaalsContact O-CG 3.25Å; S109-L113 WeakPolarHBondContact O-CG 3.35Å; S109-L113 PolarHBondContact O-N 3.49Å; S109-S202 WeakPolarHBondContact OG-CB 3.49Å; S109-S202 PolarHBondContact OG-OG 3.05Å |
| 110 | A | 91.2 | Very high | 90 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V106 N107 L113 A114 | V106-A110 WeakPolarHBondContact O-CB 3.31Å; V106-A110 PolarHBondContact O-N 2.88Å; N107-A110 PolarHBondContact O-N 3.27Å; A110-L113 PolarHBondContact O-N 3.5Å; A110-A114 WeakPolarHBondContact O-CB 3.29Å; A110-A114 PolarHBondContact O-N 2.86Å |
| 111 | G | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N107 V108 G115 | N107-G111 PolarHBondContact O-N 3.49Å; V108-G111 PolarHBondContact O-N 3.16Å; G111-G115 PolarHBondContact O-N 3.02Å |
| 112 | V | 90.2 | Very high | 89.5 | Confident | 52 Ų | 52 | 33.6 Ų | 33.6 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.6 | -47.5 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L63 V108 S109 A114 G115 L116 | L63-V112 HydrophobicContact CD1-CG2 3.61Å; L63-V112 HydrophobicContact CD2-CG2 3.87Å; L63-V112 HydrophobicContact CG-CG2 4.35Å; V108-V112 HydrophobicContact CG1-CG2 4.48Å; V108-V112 VanDerWaalsContact O-CG2 3.3Å; V108-V112 WeakPolarHBondContact O-CG2 3.34Å; V108-V112 PolarHBondContact O-N 3.23Å; S109-V112 PolarHBondContact O-N 3.1Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 3.21Å; V112-G115 PolarHBondContact O-N 2.94Å; V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.38Å; V112-L116 WeakPolarHBondContact O-CB 3.38Å; V112-L116 VanDerWaalsContact O-CG 3.29Å; V112-L116 WeakPolarHBondContact O-CG 3.46Å; V112-L116 PolarHBondContact O-N 2.96Å |
| 113 | L | 90.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 180 | -74.3 | 169.1 | 0 | 0 | 0 | 111.8 | S109 A110 S117 Y198 | S109-L113 VanDerWaalsContact O-CB 3.31Å; S109-L113 WeakPolarHBondContact O-CB 3.18Å; S109-L113 VanDerWaalsContact O-CG 3.25Å; S109-L113 WeakPolarHBondContact O-CG 3.35Å; S109-L113 PolarHBondContact O-N 3.49Å; A110-L113 PolarHBondContact O-N 3.5Å; L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 2.73Å; L113-S117 PolarHBondContact O-OG 2.98Å; L113-Y198 HydrophobicContact CB-CD1 3.78Å; L113-Y198 HydrophobicContact CB-CD2 4.22Å; L113-Y198 HydrophobicContact CB-CE1 4.4Å; L113-Y198 HydrophobicContact CB-CG 3.7Å; L113-Y198 HydrophobicContact CD1-CD1 4.22Å; L113-Y198 HydrophobicContact CD1-CG 4.47Å |
| 114 | A | 88.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A110 V112 L116 S117 Y118 I136 Y198 | A110-A114 WeakPolarHBondContact O-CB 3.29Å; A110-A114 PolarHBondContact O-N 2.86Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 3.21Å; A114-L116 VanDerWaalsContact C-N 3.32Å; A114-L116 PolarHBondContact O-N 3.44Å; A114-S117 PolarHBondContact O-N 2.98Å; A114-S117 PolarHBondContact O-OG 3.39Å; A114-Y118 WeakPolarHBondContact O-CD2 3.42Å; A114-Y118 PolarHBondContact O-N 3.36Å; A114-I136 HydrophobicContact CB-CD1 3.56Å; A114-Y198 HydrophobicContact CB-CD2 3.96Å; A114-Y198 HydrophobicContact CB-CE2 4.32Å |
| 115 | G | 87.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G111 V112 L119 | G111-G115 PolarHBondContact O-N 3.02Å; V112-G115 PolarHBondContact O-N 2.94Å; G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 PolarHBondContact O-N 3.47Å |
| 116 | L | 88.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.5 | -74.3 | 170.9 | 0 | 0 | 0 | 112.1 | F54 V112 A114 L119 L120 | F54-L116 HydrophobicContact CE1-CD2 4.36Å; F54-L116 HydrophobicContact CZ-CD2 4.04Å; V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.38Å; V112-L116 WeakPolarHBondContact O-CB 3.38Å; V112-L116 VanDerWaalsContact O-CG 3.29Å; V112-L116 WeakPolarHBondContact O-CG 3.46Å; V112-L116 PolarHBondContact O-N 2.96Å; A114-L116 VanDerWaalsContact C-N 3.32Å; A114-L116 PolarHBondContact O-N 3.44Å; L116-L119 WeakPolarHBondContact O-CB 3.25Å; L116-L119 PolarHBondContact O-N 2.84Å; L116-L120 WeakPolarHBondContact O-CD1 3.42Å; L116-L120 PolarHBondContact O-N 2.86Å |
| 117 | S | 87.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | L113 A114 L120 T121 Y198 | L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 2.73Å; L113-S117 PolarHBondContact O-OG 2.98Å; A114-S117 PolarHBondContact O-N 2.98Å; A114-S117 PolarHBondContact O-OG 3.39Å; S117-L120 PolarHBondContact O-N 3.45Å; S117-T121 PolarHBondContact O-N 3.44Å; S117-T121 PolarHBondContact O-OG1 3.45Å; S117-T121 VanDerWaalsContact O-OG1 3.06Å; S117-Y198 WeakPolarHBondContact CB-OH 3.47Å; S117-Y198 WeakPolarHBondContact OG-CE2 2.95Å; S117-Y198 PolarHBondContact OG-OH 3.04Å |
| 118 | Y | 87.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 173.1 | -78 | -66.2 | 0 | 0 | 0 | 112.9 | P50 A114 T121 Y122 F130 V134 I136 C190 A191 | P50-Y118 HydrophobicContact CG-CD2 4.14Å; P50-Y118 HydrophobicContact CG-CG 4.1Å; A114-Y118 WeakPolarHBondContact O-CD2 3.42Å; A114-Y118 PolarHBondContact O-N 3.36Å; Y118-T121 PolarHBondContact O-N 2.82Å; Y118-Y122 WeakPolarHBondContact O-CB 3.38Å; Y118-Y122 PolarHBondContact O-N 3.44Å; Y118-F130 HydrophobicContact CD1-CB 4.49Å; Y118-F130 HydrophobicContact CD1-CD1 4.26Å; Y118-F130 HydrophobicContact CE1-CD1 4.39Å; Y118-V134 HydrophobicContact CD1-CG1 4.36Å; Y118-V134 HydrophobicContact CD2-CG1 4.48Å; Y118-V134 HydrophobicContact CE1-CB 4.48Å; Y118-V134 HydrophobicContact CE1-CG1 3.88Å; Y118-V134 HydrophobicContact CE1-CG2 4.33Å; Y118-V134 HydrophobicContact CE2-CG1 4.02Å; Y118-I136 HydrophobicContact CD2-CD1 3.85Å; Y118-I136 HydrophobicContact CD2-CG1 4.42Å; Y118-I136 HydrophobicContact CE2-CD1 3.9Å; Y118-I136 HydrophobicContact CE2-CG1 4.03Å; Y118-C190 VanDerWaalsContact OH-C 3.3Å; Y118-A191 WeakPolarHBondContact OH-CA 2.95Å; Y118-A191 PolarHBondContact OH-N 3.47Å |
| 119 | L | 86.9 | Confident | 87.4 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 170.5 | -179.1 | 72.6 | 0 | 0 | 0 | 111.3 | F54 G115 L116 T121 Y122 V123 L131 | F54-L119 HydrophobicContact CD1-CD2 4.41Å; F54-L119 HydrophobicContact CD2-CD1 4.12Å; F54-L119 HydrophobicContact CD2-CD2 4.31Å; F54-L119 HydrophobicContact CE1-CD2 3.85Å; F54-L119 HydrophobicContact CE2-CB 3.82Å; F54-L119 HydrophobicContact CE2-CD1 4.07Å; F54-L119 HydrophobicContact CE2-CD2 3.76Å; F54-L119 HydrophobicContact CE2-CG 4.08Å; F54-L119 HydrophobicContact CZ-CB 4.13Å; F54-L119 HydrophobicContact CZ-CD2 3.51Å; F54-L119 HydrophobicContact CZ-CG 4.29Å; G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 PolarHBondContact O-N 3.47Å; L116-L119 WeakPolarHBondContact O-CB 3.25Å; L116-L119 PolarHBondContact O-N 2.84Å; L119-T121 VanDerWaalsContact C-N 3.34Å; L119-T121 PolarHBondContact O-N 3.37Å; L119-Y122 HydrophobicContact CD1-CD1 4.31Å; L119-Y122 WeakPolarHBondContact O-CB 3.33Å; L119-Y122 PolarHBondContact O-N 3.45Å; L119-V123 WeakPolarHBondContact O-CG2 3.28Å; L119-V123 PolarHBondContact O-N 3.21Å; L119-L131 HydrophobicContact CD1-CD1 3.99Å |
| 120 | L | 86.9 | Confident | 86.8 | Confident | 114 Ų | 114 | 58.7 Ų | 58.7 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 177.6 | -93.4 | 72.4 | 0 | 0 | 0 | 111.4 | L116 S117 Y122 V123 A124 | L116-L120 WeakPolarHBondContact O-CD1 3.42Å; L116-L120 PolarHBondContact O-N 2.86Å; S117-L120 PolarHBondContact O-N 3.45Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; L120-V123 PolarHBondContact O-N 2.88Å; L120-A124 PolarHBondContact O-N 3.31Å |
| 121 | T | 85.8 | Confident | 86.2 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | S117 Y118 L119 V123 A124 T125 F130 | S117-T121 PolarHBondContact O-N 3.44Å; S117-T121 PolarHBondContact O-OG1 3.45Å; S117-T121 VanDerWaalsContact O-OG1 3.06Å; Y118-T121 PolarHBondContact O-N 2.82Å; L119-T121 VanDerWaalsContact C-N 3.34Å; L119-T121 PolarHBondContact O-N 3.37Å; T121-V123 PolarHBondContact O-N 3.48Å; T121-A124 PolarHBondContact O-N 2.89Å; T121-T125 WeakPolarHBondContact O-CB 3.18Å; T121-T125 PolarHBondContact O-N 2.91Å; T121-T125 PolarHBondContact O-OG1 2.91Å; T121-F130 HydrophobicContact CG2-CD1 4.16Å; T121-F130 HydrophobicContact CG2-CD2 4.23Å; T121-F130 HydrophobicContact CG2-CE1 4.31Å; T121-F130 HydrophobicContact CG2-CE2 4.38Å; T121-F130 HydrophobicContact CG2-CG 4.13Å; T121-F130 HydrophobicContact CG2-CZ 4.41Å |
| 122 | Y | 86.1 | Confident | 85.9 | Confident | 65 Ų | 65 | 64 Ų | 64 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 173.2 | 163.9 | -106.5 | 0 | 0 | 0 | 112.1 | Y118 L119 L120 A124 T125 F126 D127 L128 L131 | Y118-Y122 WeakPolarHBondContact O-CB 3.38Å; Y118-Y122 PolarHBondContact O-N 3.44Å; L119-Y122 HydrophobicContact CD1-CD1 4.31Å; L119-Y122 WeakPolarHBondContact O-CB 3.33Å; L119-Y122 PolarHBondContact O-N 3.45Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 3.41Å; Y122-T125 PolarHBondContact O-N 2.9Å; Y122-F126 VanDerWaalsContact O-CA 3.22Å; Y122-F126 WeakPolarHBondContact O-CA 3.43Å; Y122-F126 PolarHBondContact O-N 3.39Å; Y122-D127 WeakPolarHBondContact CD2-O 3.43Å; Y122-L128 HydrophobicContact CD2-CD2 4.35Å; Y122-L128 HydrophobicContact CE2-CD2 3.48Å; Y122-L128 VanDerWaalsContact CE2-CD2 3.48Å; Y122-L128 HydrophobicContact CE2-CG 4.14Å; Y122-L131 HydrophobicContact CD1-CD1 3.82Å; Y122-L131 HydrophobicContact CD2-CD1 4.38Å; Y122-L131 HydrophobicContact CG-CD1 3.64Å |
| 123 | V | 87.4 | Confident | 85.4 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -31.8 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | L119 L120 T121 | L119-V123 WeakPolarHBondContact O-CG2 3.28Å; L119-V123 PolarHBondContact O-N 3.21Å; L120-V123 PolarHBondContact O-N 2.88Å; T121-V123 PolarHBondContact O-N 3.48Å |
| 124 | A | 88.9 | Confident | 85 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L120 T121 Y122 | L120-A124 PolarHBondContact O-N 3.31Å; T121-A124 PolarHBondContact O-N 2.89Å; Y122-A124 PolarHBondContact O-N 3.41Å |
| 125 | T | 88.1 | Confident | 84.7 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -101.4 | -19.7 | -172.8 | -52.6 | 0 | 0 | 0 | 0 | 113.2 | T121 Y122 D127 F130 | T121-T125 WeakPolarHBondContact O-CB 3.18Å; T121-T125 PolarHBondContact O-N 2.91Å; T121-T125 PolarHBondContact O-OG1 2.91Å; Y122-T125 PolarHBondContact O-N 2.9Å; T125-D127 HydrophobicContact CG2-CB 3.88Å; T125-D127 PolarHBondContact O-N 3.27Å; T125-F130 HydrophobicContact CG2-CE2 4.28Å |
| 126 | F | 84.5 | Confident | 84.5 | Confident | 161 Ų | 161 | 65.7 Ų | 65.7 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | trans | 57.6 | 24.1 | -171.6 | -66.9 | -81.7 | 0 | 0 | 0 | 114.8 | Y122 | Y122-F126 VanDerWaalsContact O-CA 3.22Å; Y122-F126 WeakPolarHBondContact O-CA 3.43Å; Y122-F126 PolarHBondContact O-N 3.39Å | ||
| 127 | D | 82.8 | Confident | 84.4 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | trans | -102.5 | 115.9 | -178.7 | -175.3 | -5.7 | 0 | 0 | 0 | 111.4 | Y122 T125 D129 F130 | Y122-D127 WeakPolarHBondContact CD2-O 3.43Å; T125-D127 HydrophobicContact CG2-CB 3.88Å; T125-D127 PolarHBondContact O-N 3.27Å; D127-D129 PolarHBondContact O-N 3.47Å; D127-D129 WeakPolarHBondContact OD1-CB 3.25Å; D127-D129 PolarHBondContact OD1-N 3.19Å; D127-F130 HydrophobicContact CB-CD2 3.91Å; D127-F130 HydrophobicContact CB-CE2 4.09Å; D127-F130 PolarHBondContact O-N 2.92Å | ||
| 128 | L | 82.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.7 | -176.2 | -67.3 | 170.2 | 0 | 0 | 0 | 113 | Y122 F130 L131 F132 | Y122-L128 HydrophobicContact CD2-CD2 4.35Å; Y122-L128 HydrophobicContact CE2-CD2 3.48Å; Y122-L128 VanDerWaalsContact CE2-CD2 3.48Å; Y122-L128 HydrophobicContact CE2-CG 4.14Å; L128-F130 PolarHBondContact O-N 2.91Å; L128-L131 WeakPolarHBondContact O-CB 3.49Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-F132 HydrophobicContact CB-CD2 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.15Å; L128-F132 PolarHBondContact O-N 3.03Å |
| 129 | D | 82.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 65 Ų | 65 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.8 | -34.1 | 179 | -72 | -19.1 | 0 | 0 | 0 | 111.3 | D127 L131 A133 V134 | D127-D129 PolarHBondContact O-N 3.47Å; D127-D129 WeakPolarHBondContact OD1-CB 3.25Å; D127-D129 PolarHBondContact OD1-N 3.19Å; D129-L131 PolarHBondContact O-N 3.41Å; D129-A133 HydrophobicContact CB-CB 4.21Å; D129-A133 WeakPolarHBondContact O-CA 3.46Å; D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 2.86Å; D129-V134 PolarHBondContact O-N 2.88Å |
| 130 | F | 79.7 | Confident | 84.1 | Confident | 66 Ų | 66 | 64 Ų | 64 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -23.3 | 174.4 | -68.5 | -72.5 | 0 | 0 | 0 | 113.6 | Y118 T121 T125 D127 L128 V134 | Y118-F130 HydrophobicContact CD1-CB 4.49Å; Y118-F130 HydrophobicContact CD1-CD1 4.26Å; Y118-F130 HydrophobicContact CE1-CD1 4.39Å; T121-F130 HydrophobicContact CG2-CD1 4.16Å; T121-F130 HydrophobicContact CG2-CD2 4.23Å; T121-F130 HydrophobicContact CG2-CE1 4.31Å; T121-F130 HydrophobicContact CG2-CE2 4.38Å; T121-F130 HydrophobicContact CG2-CG 4.13Å; T121-F130 HydrophobicContact CG2-CZ 4.41Å; T125-F130 HydrophobicContact CG2-CE2 4.28Å; D127-F130 HydrophobicContact CB-CD2 3.91Å; D127-F130 HydrophobicContact CB-CE2 4.09Å; D127-F130 PolarHBondContact O-N 2.92Å; L128-F130 PolarHBondContact O-N 2.91Å; F130-V134 HydrophobicContact CD1-CG2 4.4Å |
| 131 | L | 78.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -91.2 | -40.2 | -177.8 | -133.4 | 88.1 | 0 | 0 | 0 | 112.4 | T49 P50 G51 L119 Y122 L128 D129 | T49-L131 WeakPolarHBondContact CG2-O 3.36Å; P50-L131 HydrophobicContact CB-CG 4.47Å; G51-L131 VanDerWaalsContact CA-CD2 3.46Å; G51-L131 PolarHBondContact N-O 2.87Å; L119-L131 HydrophobicContact CD1-CD1 3.99Å; Y122-L131 HydrophobicContact CD1-CD1 3.82Å; Y122-L131 HydrophobicContact CD2-CD1 4.38Å; Y122-L131 HydrophobicContact CG-CD1 3.64Å; L128-L131 WeakPolarHBondContact O-CB 3.49Å; L128-L131 PolarHBondContact O-N 3.42Å; D129-L131 PolarHBondContact O-N 3.41Å |
| 132 | F | 81.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -114.2 | -28.5 | -169.7 | -63.9 | -71.5 | 0 | 0 | 0 | 114.4 | Y52 L128 | Y52-F132 HydrophobicContact CE1-CD1 4.47Å; Y52-F132 HydrophobicContact CE1-CE1 4.23Å; L128-F132 HydrophobicContact CB-CD2 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.15Å; L128-F132 PolarHBondContact O-N 3.03Å |
| 133 | A | 79.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -34.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D129 R135 | D129-A133 HydrophobicContact CB-CB 4.21Å; D129-A133 WeakPolarHBondContact O-CA 3.46Å; D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 2.86Å; A133-R135 PolarHBondContact O-N 2.87Å |
| 134 | V | 81.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | trans | -75.7 | 120.6 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | P50 Y118 D129 F130 A191 | P50-V134 VanDerWaalsContact CD-O 3.29Å; P50-V134 WeakPolarHBondContact CD-O 2.89Å; Y118-V134 HydrophobicContact CD1-CG1 4.36Å; Y118-V134 HydrophobicContact CD2-CG1 4.48Å; Y118-V134 HydrophobicContact CE1-CB 4.48Å; Y118-V134 HydrophobicContact CE1-CG1 3.88Å; Y118-V134 HydrophobicContact CE1-CG2 4.33Å; Y118-V134 HydrophobicContact CE2-CG1 4.02Å; D129-V134 PolarHBondContact O-N 2.88Å; F130-V134 HydrophobicContact CD1-CG2 4.4Å; V134-A191 HydrophobicContact CG1-CB 4.17Å | ||
| 135 | R | 83.8 | Confident | 84.7 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | trans | -116.6 | 124.1 | 174.3 | -154.6 | 169.1 | -50.8 | 158.4 | 1.6 | 110.4 | S43 A133 Y137 | S43-R135 WeakPolarHBondContact O-CD 3.32Å; S43-R135 PolarHBondContact OG-NH1 3.33Å; S43-R135 VanDerWaalsContact OG-NH1 3.1Å; A133-R135 PolarHBondContact O-N 2.87Å; R135-Y137 HydrophobicContact CB-CD1 4.31Å; R135-Y137 HydrophobicContact CG-CD1 4.45Å; R135-Y137 WeakPolarHBondContact O-CD1 3.13Å | ||
| 136 | I | 83.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -93.5 | 118.2 | 176.1 | -56.1 | 151.6 | 0 | 0 | 0 | 107.4 | V48 P50 A114 Y118 A191 A195 | V48-I136 HydrophobicContact CB-CB 4.18Å; V48-I136 HydrophobicContact CB-CD1 4.43Å; V48-I136 HydrophobicContact CG1-CD1 4.04Å; V48-I136 PolarHBondContact N-O 3.21Å; V48-I136 PolarHBondContact O-N 3.39Å; P50-I136 HydrophobicContact CG-CD1 4.49Å; A114-I136 HydrophobicContact CB-CD1 3.56Å; Y118-I136 HydrophobicContact CD2-CD1 3.85Å; Y118-I136 HydrophobicContact CD2-CG1 4.42Å; Y118-I136 HydrophobicContact CE2-CD1 3.9Å; Y118-I136 HydrophobicContact CE2-CG1 4.03Å; I136-A191 HydrophobicContact CG1-CB 4.18Å; I136-A195 HydrophobicContact CG2-CB 4.2Å |
| 137 | Y | 85.9 | Confident | 84.9 | Confident | 81 Ų | 81 | 37.4 Ų | 37.4 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | trans | -143.3 | 162.5 | 174.8 | 58.8 | -94.9 | 0 | 0 | 0 | 109.3 | Q71 R135 | Q71-Y137 HydrophobicContact CB-CE2 3.91Å; Q71-Y137 HydrophobicContact CG-CD2 3.95Å; Q71-Y137 HydrophobicContact CG-CE1 4.42Å; Q71-Y137 HydrophobicContact CG-CE2 3.59Å; R135-Y137 HydrophobicContact CB-CD1 4.31Å; R135-Y137 HydrophobicContact CG-CD1 4.45Å; R135-Y137 WeakPolarHBondContact O-CD1 3.13Å | ||
| 138 | G | 83.2 | Confident | 85.1 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 96 | 161.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H66 V69 E70 A140 | H66-G138 PolarHBondContact O-N 3.37Å; V69-G138 VanDerWaalsContact O-CA 3.24Å; V69-G138 WeakPolarHBondContact O-CA 3.35Å; V69-G138 PolarHBondContact O-N 2.85Å; E70-G138 WeakPolarHBondContact OE1-CA 3.5Å; G138-A140 PolarHBondContact O-N 2.84Å; G138-A140 VanDerWaalsContact O-N 3.13Å |
| 139 | A | 85.1 | Confident | 85.3 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 17.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E70 G141 F142 L143 | E70-A139 PolarHBondContact OE1-N 3.32Å; A139-G141 VanDerWaalsContact C-N 3.3Å; A139-G141 PolarHBondContact O-N 2.91Å; A139-F142 HydrophobicContact CB-CB 4.47Å; A139-F142 PolarHBondContact O-N 3.47Å; A139-F142 VanDerWaalsContact O-N 3.13Å; A139-L143 PolarHBondContact O-N 3.44Å |
| 140 | A | 87.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G138 L143 G144 P192 A195 Y196 | G138-A140 PolarHBondContact O-N 2.84Å; G138-A140 VanDerWaalsContact O-N 3.13Å; A140-L143 PolarHBondContact O-N 3.16Å; A140-G144 PolarHBondContact O-N 2.87Å; A140-G144 VanDerWaalsContact O-N 3.1Å; A140-P192 HydrophobicContact CB-CB 4.49Å; A140-A195 HydrophobicContact CB-CB 4.49Å; A140-Y196 WeakPolarHBondContact O-CA 3.39Å; A140-Y196 WeakPolarHBondContact O-CD2 3.3Å |
| 141 | G | 88.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A139 L143 G144 G145 A195 G199 | A139-G141 VanDerWaalsContact C-N 3.3Å; A139-G141 PolarHBondContact O-N 2.91Å; G141-L143 VanDerWaalsContact C-N 3.35Å; G141-L143 PolarHBondContact O-N 3.13Å; G141-G144 PolarHBondContact O-N 3.33Å; G141-G145 PolarHBondContact O-N 2.97Å; G141-G145 VanDerWaalsContact O-N 3.13Å; G141-A195 WeakPolarHBondContact CA-O 3.41Å; G141-G199 VanDerWaalsContact O-CA 3.26Å; G141-G199 WeakPolarHBondContact O-CA 3.48Å |
| 142 | F | 91.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 175.6 | -176.9 | -116.4 | 0 | 0 | 0 | 112.3 | T82 V83 C86 F102 F103 A139 G144 G145 V146 | T82-F142 HydrophobicContact CG2-CD1 3.93Å; T82-F142 HydrophobicContact CG2-CE1 4.1Å; V83-F142 HydrophobicContact CG2-CD1 4.15Å; V83-F142 HydrophobicContact CG2-CE1 3.73Å; C86-F142 HydrophobicContact CB-CE1 4.45Å; C86-F142 HydrophobicContact CB-CZ 4.27Å; F102-F142 HydrophobicContact CD1-CE2 4.06Å; F102-F142 HydrophobicContact CE1-CE2 4.16Å; F103-F142 HydrophobicContact CB-CD2 4.47Å; F103-F142 HydrophobicContact CB-CE2 3.91Å; F103-F142 HydrophobicContact CB-CZ 4.41Å; F103-F142 HydrophobicContact CD2-CD1 4.04Å; F103-F142 AromaticContact CD2-CD2 3.62Å; F103-F142 HydrophobicContact CD2-CD2 3.62Å; F103-F142 AromaticContact CD2-CE1 3.91Å; F103-F142 HydrophobicContact CD2-CE1 3.91Å; F103-F142 AromaticContact CD2-CE2 3.5Å; F103-F142 HydrophobicContact CD2-CE2 3.5Å; F103-F142 VanDerWaalsContact CD2-CE2 3.5Å; F103-F142 AromaticContact CD2-CG 3.89Å; F103-F142 HydrophobicContact CD2-CG 3.89Å; F103-F142 AromaticContact CD2-CZ 3.63Å; F103-F142 HydrophobicContact CD2-CZ 3.63Å; F103-F142 HydrophobicContact CE2-CD1 4.14Å; F103-F142 HydrophobicContact CE2-CD2 4.25Å; F103-F142 HydrophobicContact CE2-CE1 4.33Å; F103-F142 HydrophobicContact CE2-CE2 4.46Å; F103-F142 HydrophobicContact CE2-CG 4.09Å; F103-F142 HydrophobicContact CE2-CZ 4.48Å; F103-F142 HydrophobicContact CG-CD2 4.4Å; F103-F142 HydrophobicContact CG-CE2 4.15Å; A139-F142 HydrophobicContact CB-CB 4.47Å; A139-F142 PolarHBondContact O-N 3.47Å; A139-F142 VanDerWaalsContact O-N 3.13Å; F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 2.71Å; F142-G145 PolarHBondContact O-N 3.42Å; F142-G145 VanDerWaalsContact O-N 3.16Å; F142-V146 HydrophobicContact CD1-CG2 3.95Å; F142-V146 HydrophobicContact CD2-CG2 4.05Å; F142-V146 HydrophobicContact CE1-CG2 3.53Å; F142-V146 HydrophobicContact CE2-CG2 3.62Å; F142-V146 HydrophobicContact CG-CG2 4.21Å; F142-V146 HydrophobicContact CZ-CG2 3.35Å; F142-V146 WeakPolarHBondContact O-CB 3.47Å; F142-V146 VanDerWaalsContact O-CG2 3.31Å; F142-V146 WeakPolarHBondContact O-CG2 3.27Å; F142-V146 PolarHBondContact O-N 3.38Å |
| 143 | L | 90.5 | Very high | 85.1 | Confident | 44 Ų | 44 | 23.1 Ų | 23.1 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -43.8 | 174 | 173.8 | 62.8 | 0 | 0 | 0 | 112 | T82 A139 A140 G141 G145 V146 L147 V174 Y196 | T82-L143 HydrophobicContact CG2-CB 4.08Å; T82-L143 HydrophobicContact CG2-CD1 3.85Å; T82-L143 WeakPolarHBondContact OG1-CD1 3.31Å; A139-L143 PolarHBondContact O-N 3.44Å; A140-L143 PolarHBondContact O-N 3.16Å; G141-L143 VanDerWaalsContact C-N 3.35Å; G141-L143 PolarHBondContact O-N 3.13Å; L143-G145 PolarHBondContact O-N 3.49Å; L143-V146 PolarHBondContact O-N 3.04Å; L143-L147 HydrophobicContact CD1-CD1 3.97Å; L143-L147 HydrophobicContact CD1-CG 3.98Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 HydrophobicContact CG-CG 4.5Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.8Å; L143-V174 HydrophobicContact CD2-CG1 4.45Å; L143-Y196 HydrophobicContact CD2-CE2 4.49Å; L143-Y196 HydrophobicContact CG-CE2 4.19Å |
| 144 | G | 88 | Confident | 84.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A140 G141 F142 V148 Y196 | A140-G144 PolarHBondContact O-N 2.87Å; A140-G144 VanDerWaalsContact O-N 3.1Å; G141-G144 PolarHBondContact O-N 3.33Å; F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 2.71Å; G144-V148 WeakPolarHBondContact O-CG2 3.24Å; G144-V148 PolarHBondContact O-N 3.26Å; G144-Y196 VanDerWaalsContact CA-CE2 3.42Å |
| 145 | G | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G141 F142 L143 V148 A149 G199 | G141-G145 PolarHBondContact O-N 2.97Å; G141-G145 VanDerWaalsContact O-N 3.13Å; F142-G145 PolarHBondContact O-N 3.42Å; F142-G145 VanDerWaalsContact O-N 3.16Å; L143-G145 PolarHBondContact O-N 3.49Å; G145-V148 WeakPolarHBondContact O-CB 3.35Å; G145-V148 PolarHBondContact O-N 2.95Å; G145-A149 PolarHBondContact O-N 3.13Å; G145-G199 WeakPolarHBondContact CA-O 3.27Å; G145-G199 PolarHBondContact N-O 3.4Å |
| 146 | V | 89.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 179.1 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | T82 C86 F102 F142 L143 V148 A149 L150 | T82-V146 HydrophobicContact CG2-CB 3.99Å; T82-V146 HydrophobicContact CG2-CG1 3.99Å; T82-V146 HydrophobicContact CG2-CG2 4.04Å; C86-V146 HydrophobicContact CB-CG1 4.13Å; C86-V146 HydrophobicContact CB-CG2 4.05Å; F102-V146 HydrophobicContact CE1-CG2 4.19Å; F142-V146 HydrophobicContact CD1-CG2 3.95Å; F142-V146 HydrophobicContact CD2-CG2 4.05Å; F142-V146 HydrophobicContact CE1-CG2 3.53Å; F142-V146 HydrophobicContact CE2-CG2 3.62Å; F142-V146 HydrophobicContact CG-CG2 4.21Å; F142-V146 HydrophobicContact CZ-CG2 3.35Å; F142-V146 WeakPolarHBondContact O-CB 3.47Å; F142-V146 VanDerWaalsContact O-CG2 3.31Å; F142-V146 WeakPolarHBondContact O-CG2 3.27Å; F142-V146 PolarHBondContact O-N 3.38Å; L143-V146 PolarHBondContact O-N 3.04Å; V146-V148 VanDerWaalsContact C-N 3.3Å; V146-V148 PolarHBondContact O-N 2.99Å; V146-A149 CarbonylContact O-C 3.55Å; V146-A149 WeakPolarHBondContact O-CB 3.14Å; V146-A149 PolarHBondContact O-N 3.44Å; V146-A149 VanDerWaalsContact O-N 3.13Å; V146-L150 HydrophobicContact CB-CD1 4.48Å; V146-L150 HydrophobicContact CG1-CD1 3.3Å; V146-L150 WeakPolarHBondContact O-CD1 3.37Å; V146-L150 PolarHBondContact O-N 2.68Å |
| 147 | L | 87.6 | Confident | 81 | Confident | 30 Ų | 30 | 28.8 Ų | 28.8 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 177 | -74.2 | 171.8 | 0 | 0 | 0 | 112.6 | L143 K151 P171 V174 Y196 | L143-L147 HydrophobicContact CD1-CD1 3.97Å; L143-L147 HydrophobicContact CD1-CG 3.98Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 HydrophobicContact CG-CG 4.5Å; L143-L147 WeakPolarHBondContact O-CB 3.49Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.8Å; L147-K151 PolarHBondContact O-N 2.91Å; L147-K151 VanDerWaalsContact O-N 3.07Å; L147-P171 HydrophobicContact CB-CB 4.34Å; L147-P171 HydrophobicContact CB-CG 4.05Å; L147-V174 HydrophobicContact CD1-CB 4.05Å; L147-V174 HydrophobicContact CD1-CG1 4.27Å; L147-V174 HydrophobicContact CD1-CG2 3.84Å; L147-Y196 HydrophobicContact CD1-CE2 3.85Å; L147-Y196 WeakPolarHBondContact CD1-OH 3.46Å |
| 148 | V | 86.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | G144 G145 V146 K151 Q152 A200 W204 L207 F224 F229 | G144-V148 WeakPolarHBondContact O-CG2 3.24Å; G144-V148 PolarHBondContact O-N 3.26Å; G145-V148 WeakPolarHBondContact O-CB 3.35Å; G145-V148 PolarHBondContact O-N 2.95Å; V146-V148 VanDerWaalsContact C-N 3.3Å; V146-V148 PolarHBondContact O-N 2.99Å; V148-K151 PolarHBondContact O-N 3.03Å; V148-Q152 PolarHBondContact O-N 3.07Å; V148-Q152 VanDerWaalsContact O-N 3.15Å; V148-A200 HydrophobicContact CG2-CB 4Å; V148-W204 HydrophobicContact CG1-CB 3.98Å; V148-L207 HydrophobicContact CG1-CD1 3.91Å; V148-F224 HydrophobicContact CG1-CE2 3.95Å; V148-F224 HydrophobicContact CG1-CZ 3.74Å; V148-F229 HydrophobicContact CB-CE1 4.31Å; V148-F229 HydrophobicContact CB-CZ 4.42Å; V148-F229 HydrophobicContact CG1-CE1 3.94Å; V148-F229 HydrophobicContact CG1-CE2 4.35Å; V148-F229 HydrophobicContact CG1-CZ 3.62Å; V148-F229 HydrophobicContact CG2-CE1 4.14Å; V148-F229 HydrophobicContact CG2-CZ 4.3Å |
| 149 | A | 86.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L90 W94 F102 G145 V146 K151 Q152 T153 L207 | L90-A149 HydrophobicContact CD2-CB 3.52Å; L90-A149 HydrophobicContact CG-CB 4.31Å; W94-A149 HydrophobicContact CH2-CB 3.61Å; W94-A149 HydrophobicContact CZ2-CB 4.16Å; F102-A149 HydrophobicContact CE1-CB 4.47Å; F102-A149 HydrophobicContact CZ-CB 4.18Å; G145-A149 PolarHBondContact O-N 3.13Å; V146-A149 CarbonylContact O-C 3.55Å; V146-A149 WeakPolarHBondContact O-CB 3.14Å; V146-A149 PolarHBondContact O-N 3.44Å; V146-A149 VanDerWaalsContact O-N 3.13Å; A149-K151 VanDerWaalsContact C-N 3.28Å; A149-K151 PolarHBondContact O-N 3.4Å; A149-Q152 WeakPolarHBondContact O-CB 3.47Å; A149-Q152 PolarHBondContact O-N 3.31Å; A149-T153 WeakPolarHBondContact O-CG2 3.47Å; A149-T153 PolarHBondContact O-N 3.33Å; A149-T153 PolarHBondContact O-OG1 2.98Å; A149-L207 HydrophobicContact CB-CD1 3.76Å |
| 150 | L | 83.6 | Confident | 75.9 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | 174.6 | -92.9 | 88.5 | 0 | 0 | 0 | 110.7 | L89 L90 V146 Q152 T153 M154 | L89-L150 HydrophobicContact CD1-CD2 3.57Å; L89-L150 HydrophobicContact CD1-CG 4.1Å; L90-L150 HydrophobicContact CD1-CD1 3.84Å; L90-L150 HydrophobicContact CD1-CG 4.17Å; V146-L150 HydrophobicContact CB-CD1 4.48Å; V146-L150 HydrophobicContact CG1-CD1 3.3Å; V146-L150 WeakPolarHBondContact O-CD1 3.37Å; V146-L150 PolarHBondContact O-N 2.68Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.1Å; L150-T153 WeakPolarHBondContact CA-OG1 3.47Å; L150-T153 PolarHBondContact O-N 2.85Å; L150-T153 PolarHBondContact O-OG1 2.82Å; L150-T153 VanDerWaalsContact O-OG1 3.1Å; L150-M154 HydrophobicContact CD2-CE 4.27Å; L150-M154 HydrophobicContact CD2-SD 4.21Å; L150-M154 VanDerWaalsContact O-CB 3.32Å; L150-M154 WeakPolarHBondContact O-CB 3.25Å; L150-M154 PolarHBondContact O-N 3.4Å |
| 151 | K | 80.5 | Confident | 73.8 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.5 | -176 | -179.5 | 145 | -157.8 | 0 | 112.1 | L147 V148 A149 T153 G155 S228 F229 | L147-K151 PolarHBondContact O-N 2.91Å; L147-K151 VanDerWaalsContact O-N 3.07Å; V148-K151 PolarHBondContact O-N 3.03Å; A149-K151 VanDerWaalsContact C-N 3.28Å; A149-K151 PolarHBondContact O-N 3.4Å; K151-T153 VanDerWaalsContact C-N 3.34Å; K151-G155 PolarHBondContact O-N 3.1Å; K151-S228 PolarHBondContact NZ-O 3.47Å; K151-S228 PolarHBondContact NZ-OG 3.31Å; K151-F229 HydrophobicContact CB-CE1 4.26Å; K151-F229 HydrophobicContact CD-CD1 3.39Å; K151-F229 HydrophobicContact CD-CE1 3.47Å; K151-F229 VanDerWaalsContact CD-CE1 3.47Å; K151-F229 HydrophobicContact CG-CE1 4.3Å; K151-F229 VanDerWaalsContact NZ-CA 3.3Å; K151-F229 VanDerWaalsContact NZ-CE1 3.29Å |
| 152 | Q | 79.8 | Confident | 71.9 | Confident | 43 Ų | 43 | 52 Ų | 52 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 176 | -167.4 | -170.9 | -3.9 | 0 | 0 | 112.1 | V148 A149 L150 F224 | V148-Q152 PolarHBondContact O-N 3.07Å; V148-Q152 VanDerWaalsContact O-N 3.15Å; A149-Q152 WeakPolarHBondContact O-CB 3.47Å; A149-Q152 PolarHBondContact O-N 3.31Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.1Å; Q152-F224 HydrophobicContact CB-CD2 3.93Å; Q152-F224 HydrophobicContact CB-CE2 3.63Å; Q152-F224 HydrophobicContact CB-CZ 4.39Å; Q152-F224 HydrophobicContact CG-CD2 3.91Å; Q152-F224 HydrophobicContact CG-CE2 3.93Å; Q152-F224 HydrophobicContact CG-CG 4.46Å; Q152-F224 HydrophobicContact CG-CZ 4.48Å |
| 153 | T | 75.1 | Confident | 69.8 | Low | 48 Ų | 48 | 56.3 Ų | 56.3 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.8 | -36.9 | -173.3 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | L93 W94 A149 L150 K151 | L93-T153 HydrophobicContact CD1-CG2 3.47Å; L93-T153 VanDerWaalsContact CD1-CG2 3.47Å; W94-T153 HydrophobicContact CZ2-CG2 4.33Å; A149-T153 WeakPolarHBondContact O-CG2 3.47Å; A149-T153 PolarHBondContact O-N 3.33Å; A149-T153 PolarHBondContact O-OG1 2.98Å; L150-T153 WeakPolarHBondContact CA-OG1 3.47Å; L150-T153 PolarHBondContact O-N 2.85Å; L150-T153 PolarHBondContact O-OG1 2.82Å; L150-T153 VanDerWaalsContact O-OG1 3.1Å; K151-T153 VanDerWaalsContact C-N 3.34Å |
| 154 | M | 67.6 | Low | 67.7 | Low | 60 Ų | 60 | 62.9 Ų | 62.9 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -92.5 | -10.1 | -176.4 | -65.8 | -173.8 | 166.9 | 0 | 0 | 114.4 | L89 L150 T157 L167 | L89-M154 HydrophobicContact CB-CE 4.36Å; L89-M154 HydrophobicContact CD1-CE 3.4Å; L89-M154 HydrophobicContact CD2-CE 3.44Å; L89-M154 VanDerWaalsContact CD2-CE 3.44Å; L89-M154 HydrophobicContact CG-CE 3.89Å; L150-M154 HydrophobicContact CD2-CE 4.27Å; L150-M154 HydrophobicContact CD2-SD 4.21Å; L150-M154 VanDerWaalsContact O-CB 3.32Å; L150-M154 WeakPolarHBondContact O-CB 3.25Å; L150-M154 PolarHBondContact O-N 3.4Å; M154-T157 WeakPolarHBondContact O-CG2 3.34Å; M154-T157 PolarHBondContact O-OG1 3.35Å; M154-L167 HydrophobicContact CB-CD2 3.62Å; M154-L167 HydrophobicContact CG-CD2 4.36Å; M154-L167 HydrophobicContact SD-CD2 3.9Å |
| 155 | G | 63.7 | Low | 65.9 | Low | 35 Ų | 35 | 65.3 Ų | 65.3 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K151 T157 | K151-G155 PolarHBondContact O-N 3.1Å; G155-T157 PolarHBondContact O-N 2.92Å |
| 156 | D | 58.8 | Low | 64.4 | Low | 103 Ų | 103 | 72 Ų | 72 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 32.8 | -176.7 | -91.6 | -27.8 | 0 | 0 | 0 | 114.9 | T158 K168 | D156-T158 PolarHBondContact O-N 3.44Å; D156-K168 WeakPolarHBondContact OD1-CD 3.05Å; D156-K168 WeakPolarHBondContact OD1-CE 3.48Å; D156-K168 WeakPolarHBondContact OD1-CG 3.26Å; D156-K168 IonicContact OD1-NZ 3.62Å; D156-K168 PolarHBondContact OD1-NZ 2.98Å; D156-K168 WeakPolarHBondContact OD2-CE 3.25Å; D156-K168 IonicContact OD2-NZ 2.76Å; D156-K168 PolarHBondContact OD2-NZ 3.45Å |
| 157 | T | 53.9 | Low | 62.9 | Low | 77 Ų | 77 | 73.2 Ų | 73.2 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | trans | -74.5 | 122.8 | 175 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | M154 G155 V159 L167 | M154-T157 WeakPolarHBondContact O-CG2 3.34Å; M154-T157 PolarHBondContact O-OG1 3.35Å; G155-T157 PolarHBondContact O-N 2.92Å; T157-V159 PolarHBondContact O-N 2.86Å; T157-L167 WeakPolarHBondContact O-CB 2.96Å | ||
| 158 | T | 48.6 | Very low | 61.6 | Low | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | trans | -79.7 | 101 | 177.7 | 41.5 | 0 | 0 | 0 | 0 | 108.8 | D156 R166 | D156-T158 PolarHBondContact O-N 3.44Å; T158-R166 HydrophobicContact CG2-CG 4.35Å | ||
| 159 | V | 50.8 | Low | 60.7 | Low | 91 Ų | 91 | 76.3 Ų | 76.3 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -76.8 | -27.1 | -176 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | T157 L167 | T157-V159 PolarHBondContact O-N 2.86Å; V159-L167 HydrophobicContact CG2-CB 4.2Å; V159-L167 HydrophobicContact CG2-CD1 3.95Å; V159-L167 HydrophobicContact CG2-CD2 4.11Å; V159-L167 HydrophobicContact CG2-CG 4.32Å |
| 160 | L | 46.2 | Very low | 60 | Low | 94 Ų | 94 | 77.3 Ų | 77.3 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | trans | -118.5 | 118.3 | 172.8 | -86.3 | 100.2 | 0 | 0 | 0 | 111.5 | V162 | L160-V162 VanDerWaalsContact C-N 3.27Š| ||
| 161 | R | 44.9 | Very low | 59.7 | Low | 219 Ų | 219 | 76.5 Ų | 76.5 | 83% | 0.826 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -76.3 | -13 | 176 | -157.9 | 83.7 | 179.7 | 162.1 | 2 | 112.4 | ||
| 162 | V | 47.1 | Very low | 59.5 | Low | 120 Ų | 120 | 76.3 Ų | 76.3 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -154 | 120.7 | -178.8 | -159.2 | 0 | 0 | 0 | 0 | 109.9 | L160 | L160-V162 VanDerWaalsContact C-N 3.27Š|
| 163 | P | 48.2 | Very low | 59.5 | Low | 96 Ų | 96 | 78 Ų | 78 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | S | Bend | cis | -70.4 | 163.8 | -22.6 | 32.8 | -31.9 | 0 | 0 | 0 | 110.8 | V165 | P163-V165 HydrophobicContact CG-CG2 4.47Å; P163-V165 PolarHBondContact O-N 3.05Å |
| 164 | Q | 45.9 | Very low | 59.9 | Low | 182 Ų | 182 | 77.4 Ų | 77.4 | 85% | 0.85 | 41% | 0.414 | S | S | * | . | trans | -64.5 | 58.3 | -170.8 | -62.8 | 176.5 | -52 | 0 | 0 | 115.2 | R166 | Q164-R166 PolarHBondContact O-N 3.3Å; Q164-R166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | V | 50.7 | Low | 60.7 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | trans | -80.1 | 95.9 | 171.8 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | P163 L173 | P163-V165 HydrophobicContact CG-CG2 4.47Å; P163-V165 PolarHBondContact O-N 3.05Å; V165-L173 HydrophobicContact CG1-CD1 3.74Å; V165-L173 HydrophobicContact CG2-CD1 4.43Å | ||
| 166 | R | 57.3 | Low | 61.6 | Low | 140 Ų | 140 | 79.9 Ų | 79.9 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | trans | -61 | 136.2 | 168.9 | -63.5 | 178.6 | 177.1 | 178.4 | -2.9 | 108.2 | T158 Q164 K168 A169 | T158-R166 HydrophobicContact CG2-CG 4.35Å; Q164-R166 PolarHBondContact O-N 3.3Å; Q164-R166 VanDerWaalsContact O-N 3.1Å; R166-K168 HydrophobicContact CB-CB 4.05Å; R166-K168 PolarHBondContact O-N 3.35Å; R166-A169 PolarHBondContact O-N 3.25Å | ||
| 167 | L | 58.4 | Low | 62.8 | Low | 29 Ų | 29 | 79 Ų | 79 | 15% | 0.152 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -54.9 | -23.9 | 175 | -171 | 68.8 | 0 | 0 | 0 | 112.1 | M154 T157 V159 A169 A170 | M154-L167 HydrophobicContact CB-CD2 3.62Å; M154-L167 HydrophobicContact CG-CD2 4.36Å; M154-L167 HydrophobicContact SD-CD2 3.9Å; T157-L167 WeakPolarHBondContact O-CB 2.96Å; V159-L167 HydrophobicContact CG2-CB 4.2Å; V159-L167 HydrophobicContact CG2-CD1 3.95Å; V159-L167 HydrophobicContact CG2-CD2 4.11Å; V159-L167 HydrophobicContact CG2-CG 4.32Å; L167-A169 PolarHBondContact O-N 2.84Å; L167-A169 VanDerWaalsContact O-N 3.13Å; L167-A170 HydrophobicContact CD1-CB 3.97Å; L167-A170 VanDerWaalsContact O-CB 3.28Å; L167-A170 WeakPolarHBondContact O-CB 3.23Å; L167-A170 PolarHBondContact O-N 3.45Å |
| 168 | K | 59.9 | Low | 64.2 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 30% | 0.296 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -43 | -41.4 | 167.3 | -81.2 | 179.4 | 148.7 | 144.8 | 0 | 114.2 | D156 R166 | D156-K168 WeakPolarHBondContact OD1-CD 3.05Å; D156-K168 WeakPolarHBondContact OD1-CE 3.48Å; D156-K168 WeakPolarHBondContact OD1-CG 3.26Å; D156-K168 IonicContact OD1-NZ 3.62Å; D156-K168 PolarHBondContact OD1-NZ 2.98Å; D156-K168 WeakPolarHBondContact OD2-CE 3.25Å; D156-K168 IonicContact OD2-NZ 2.76Å; D156-K168 PolarHBondContact OD2-NZ 3.45Å; R166-K168 HydrophobicContact CB-CB 4.05Å; R166-K168 PolarHBondContact O-N 3.35Å |
| 169 | A | 66.1 | Low | 65.8 | Low | 28 Ų | 28 | 74.5 Ų | 74.5 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -93.6 | 0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R166 L167 A172 L173 | R166-A169 PolarHBondContact O-N 3.25Å; L167-A169 PolarHBondContact O-N 2.84Å; L167-A169 VanDerWaalsContact O-N 3.13Å; A169-A172 CarbonylContact O-C 3.41Å; A169-A172 PolarHBondContact O-N 3.11Å; A169-A172 VanDerWaalsContact O-N 3.13Å; A169-L173 VanDerWaalsContact O-CB 3.31Å; A169-L173 WeakPolarHBondContact O-CB 3.48Å; A169-L173 PolarHBondContact O-N 2.81Å |
| 170 | A | 71.9 | Confident | 67.4 | Low | 21 Ų | 21 | 74.7 Ų | 74.7 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L167 A172 L173 V174 | L167-A170 HydrophobicContact CD1-CB 3.97Å; L167-A170 VanDerWaalsContact O-CB 3.28Å; L167-A170 WeakPolarHBondContact O-CB 3.23Å; L167-A170 PolarHBondContact O-N 3.45Å; A170-A172 VanDerWaalsContact C-N 3.32Å; A170-A172 PolarHBondContact O-N 2.93Å; A170-L173 PolarHBondContact O-N 3.31Å; A170-V174 WeakPolarHBondContact O-CG2 3.45Å; A170-V174 PolarHBondContact O-N 3.35Å; A170-V174 VanDerWaalsContact O-N 3.08Å |
| 171 | P | 78 | Confident | 69.2 | Low | 8 Ų | 8 | 72.7 Ų | 72.7 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 175.4 | -22 | 33.9 | 0 | 0 | 0 | 113 | L147 L175 Y196 F229 | L147-P171 HydrophobicContact CB-CB 4.34Å; L147-P171 HydrophobicContact CB-CG 4.05Å; P171-L175 WeakPolarHBondContact O-CB 3.35Å; P171-L175 PolarHBondContact O-N 3.04Å; P171-L175 VanDerWaalsContact O-N 3.16Å; P171-Y196 VanDerWaalsContact CA-OH 3.25Å; P171-Y196 WeakPolarHBondContact CA-OH 2.79Å; P171-Y196 PolarHBondContact O-OH 3.18Å; P171-F229 HydrophobicContact CB-CD1 4.39Å; P171-F229 HydrophobicContact CG-CD1 3.93Å |
| 172 | A | 77.1 | Confident | 70.9 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.7 | -33.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A169 A170 L175 L176 F229 F230 | A169-A172 CarbonylContact O-C 3.41Å; A169-A172 PolarHBondContact O-N 3.11Å; A169-A172 VanDerWaalsContact O-N 3.13Å; A170-A172 VanDerWaalsContact C-N 3.32Å; A170-A172 PolarHBondContact O-N 2.93Å; A172-L175 PolarHBondContact O-N 3.1Å; A172-L176 VanDerWaalsContact O-CB 3.27Å; A172-L176 WeakPolarHBondContact O-CB 3.5Å; A172-L176 PolarHBondContact O-N 3.39Å; A172-F229 WeakPolarHBondContact CB-O 3.21Å; A172-F230 HydrophobicContact CB-CD1 3.76Å; A172-F230 HydrophobicContact CB-CE1 4.03Å; A172-F230 HydrophobicContact CB-CG 4.28Å |
| 173 | L | 80.3 | Confident | 72.6 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 177.7 | -169.3 | 162.6 | 0 | 0 | 0 | 110.2 | V165 A169 A170 L175 L176 L177 | V165-L173 HydrophobicContact CG1-CD1 3.74Å; V165-L173 HydrophobicContact CG2-CD1 4.43Å; A169-L173 VanDerWaalsContact O-CB 3.31Å; A169-L173 WeakPolarHBondContact O-CB 3.48Å; A169-L173 PolarHBondContact O-N 2.81Å; A170-L173 PolarHBondContact O-N 3.31Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 2.77Å; L173-L176 PolarHBondContact O-N 3.13Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 PolarHBondContact O-N 3.43Å |
| 174 | V | 82.6 | Confident | 74.2 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 22% | 0.218 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L143 L147 A170 L177 L178 Y196 | L143-V174 HydrophobicContact CD2-CG1 4.45Å; L147-V174 HydrophobicContact CD1-CB 4.05Å; L147-V174 HydrophobicContact CD1-CG1 4.27Å; L147-V174 HydrophobicContact CD1-CG2 3.84Å; A170-V174 WeakPolarHBondContact O-CG2 3.45Å; A170-V174 PolarHBondContact O-N 3.35Å; A170-V174 VanDerWaalsContact O-N 3.08Å; V174-L177 PolarHBondContact O-N 2.81Å; V174-L178 HydrophobicContact CG1-CD1 4.34Å; V174-L178 WeakPolarHBondContact O-CG 3.04Å; V174-L178 PolarHBondContact O-N 2.86Å; V174-Y196 HydrophobicContact CB-CE2 4.19Å; V174-Y196 HydrophobicContact CG1-CD2 4.21Å; V174-Y196 HydrophobicContact CG1-CE2 3.53Å |
| 175 | L | 83.2 | Confident | 75.7 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 173.3 | -166.1 | 145.3 | 0 | 0 | 0 | 111.7 | P171 A172 L173 L178 A179 Y196 | P171-L175 WeakPolarHBondContact O-CB 3.35Å; P171-L175 PolarHBondContact O-N 3.04Å; P171-L175 VanDerWaalsContact O-N 3.16Å; A172-L175 PolarHBondContact O-N 3.1Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 2.77Å; L175-L178 PolarHBondContact O-N 3.31Å; L175-A179 WeakPolarHBondContact O-CB 3.39Å; L175-A179 PolarHBondContact O-N 3.48Å; L175-Y196 HydrophobicContact CB-CD1 4.23Å; L175-Y196 HydrophobicContact CB-CE1 3.75Å; L175-Y196 HydrophobicContact CD1-CD1 4.19Å; L175-Y196 HydrophobicContact CD1-CE1 4.12Å; L175-Y196 HydrophobicContact CG-CD1 4.33Å; L175-Y196 HydrophobicContact CG-CE1 4.27Å |
| 176 | L | 83.3 | Confident | 76.8 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.2 | -178.8 | 148.4 | 0 | 0 | 0 | 111.1 | A172 L173 A179 L180 | A172-L176 VanDerWaalsContact O-CB 3.27Å; A172-L176 WeakPolarHBondContact O-CB 3.5Å; A172-L176 PolarHBondContact O-N 3.39Å; L173-L176 PolarHBondContact O-N 3.13Å; L176-A179 PolarHBondContact O-N 2.92Å; L176-L180 HydrophobicContact CD2-CD1 3.49Å; L176-L180 VanDerWaalsContact CD2-CD1 3.49Å; L176-L180 HydrophobicContact CD2-CG 3.98Å; L176-L180 HydrophobicContact CG-CD1 4.49Å; L176-L180 WeakPolarHBondContact O-CB 3.35Å; L176-L180 VanDerWaalsContact O-CG 3.32Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å |
| 177 | L | 84.6 | Confident | 77.5 | Confident | 85 Ų | 85 | 59 Ų | 59 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 175.5 | 179.6 | 65 | 0 | 0 | 0 | 110.7 | L173 V174 A179 L180 L181 | L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 PolarHBondContact O-N 3.43Å; V174-L177 PolarHBondContact O-N 2.81Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.92Å; L177-L180 PolarHBondContact O-N 2.62Å; L177-L181 HydrophobicContact CD1-CD1 3.6Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 WeakPolarHBondContact O-CB 3.49Å; L177-L181 VanDerWaalsContact O-CD1 3.3Å; L177-L181 WeakPolarHBondContact O-CD1 3.28Å; L177-L181 PolarHBondContact O-N 3.37Å |
| 178 | L | 82.6 | Confident | 77.9 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.1 | -70.8 | 173.9 | 0 | 0 | 0 | 111.9 | V174 L175 R182 L187 Y196 | V174-L178 HydrophobicContact CG1-CD1 4.34Å; V174-L178 WeakPolarHBondContact O-CG 3.04Å; V174-L178 PolarHBondContact O-N 2.86Å; L175-L178 PolarHBondContact O-N 3.31Å; L178-R182 PolarHBondContact O-N 3.33Å; L178-L187 HydrophobicContact CD2-CD2 4.37Å; L178-Y196 HydrophobicContact CD1-CD1 4.21Å; L178-Y196 HydrophobicContact CD1-CD2 3.99Å; L178-Y196 HydrophobicContact CD1-CG 3.69Å |
| 179 | A | 82.7 | Confident | 78.5 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L175 L176 L177 R182 L183 L193 | L175-A179 WeakPolarHBondContact O-CB 3.39Å; L175-A179 PolarHBondContact O-N 3.48Å; L176-A179 PolarHBondContact O-N 2.92Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.92Å; A179-R182 PolarHBondContact O-N 2.96Å; A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.84Å; A179-L193 HydrophobicContact CB-CD1 3.95Å |
| 180 | L | 85 | Confident | 79.2 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.4 | -71.6 | -178.3 | 0 | 0 | 0 | 111.7 | L176 L177 R182 L183 S184 | L176-L180 HydrophobicContact CD2-CD1 3.49Å; L176-L180 VanDerWaalsContact CD2-CD1 3.49Å; L176-L180 HydrophobicContact CD2-CG 3.98Å; L176-L180 HydrophobicContact CG-CD1 4.49Å; L176-L180 WeakPolarHBondContact O-CB 3.35Å; L176-L180 VanDerWaalsContact O-CG 3.32Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 2.62Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 PolarHBondContact O-N 2.99Å; L180-L183 PolarHBondContact O-N 2.87Å; L180-S184 WeakPolarHBondContact O-CB 3.41Å; L180-S184 PolarHBondContact O-N 3.46Å; L180-S184 PolarHBondContact O-OG 3.47Å |
| 181 | L | 82.8 | Confident | 79.7 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 174.8 | -101.4 | 67.2 | 0 | 0 | 0 | 111.1 | L177 S184 G185 L186 L187 | L177-L181 HydrophobicContact CD1-CD1 3.6Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 WeakPolarHBondContact O-CB 3.49Å; L177-L181 VanDerWaalsContact O-CD1 3.3Å; L177-L181 WeakPolarHBondContact O-CD1 3.28Å; L177-L181 PolarHBondContact O-N 3.37Å; L181-S184 WeakPolarHBondContact CA-OG 3.11Å; L181-S184 PolarHBondContact O-N 2.94Å; L181-S184 PolarHBondContact O-OG 2.98Å; L181-G185 PolarHBondContact O-N 3.48Å; L181-L186 PolarHBondContact O-N 2.93Å; L181-L186 VanDerWaalsContact O-N 3.16Å; L181-L187 HydrophobicContact CB-CD1 4Å; L181-L187 HydrophobicContact CB-CD2 4.35Å; L181-L187 HydrophobicContact CD2-CD1 3.92Å; L181-L187 HydrophobicContact CG-CD1 4.39Å; L181-L187 PolarHBondContact O-N 2.79Å |
| 182 | R | 82.3 | Confident | 79.9 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 35% | 0.347 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 173.1 | 178.2 | 55.3 | -176.9 | 151.5 | 1.6 | 112.4 | L178 A179 L180 S184 G185 L187 D188 C190 | L178-R182 PolarHBondContact O-N 3.33Å; A179-R182 PolarHBondContact O-N 2.96Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 PolarHBondContact O-N 2.99Å; R182-S184 VanDerWaalsContact C-N 3.26Å; R182-S184 PolarHBondContact O-N 3.28Å; R182-G185 PolarHBondContact O-N 2.88Å; R182-L187 HydrophobicContact CB-CB 4.43Å; R182-L187 VanDerWaalsContact CD-O 3.27Å; R182-L187 WeakPolarHBondContact CD-O 3.5Å; R182-L187 PolarHBondContact NH1-O 3.13Å; R182-D188 PolarHBondContact NH1-O 3.07Å; R182-C190 PolarHBondContact NE-SG 2.87Å |
| 183 | L | 81.2 | Confident | 80.4 | Confident | 146 Ų | 146 | 67.8 Ų | 67.8 | 76% | 0.764 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.4 | -32.6 | 178.8 | -71.4 | 173.1 | 0 | 0 | 0 | 112.6 | A179 L180 G185 | A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 2.87Å; L183-G185 PolarHBondContact O-N 3.39Å |
| 184 | S | 82.3 | Confident | 80.6 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.9 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 114 | L180 L181 R182 L186 | L180-S184 WeakPolarHBondContact O-CB 3.41Å; L180-S184 PolarHBondContact O-N 3.46Å; L180-S184 PolarHBondContact O-OG 3.47Å; L181-S184 WeakPolarHBondContact CA-OG 3.11Å; L181-S184 PolarHBondContact O-N 2.94Å; L181-S184 PolarHBondContact O-OG 2.98Å; R182-S184 VanDerWaalsContact C-N 3.26Å; R182-S184 PolarHBondContact O-N 3.28Å; S184-L186 PolarHBondContact O-N 3.27Å |
| 185 | G | 76.9 | Confident | 80.9 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 4.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L181 R182 L183 L187 | L181-G185 PolarHBondContact O-N 3.48Å; R182-G185 PolarHBondContact O-N 2.88Å; L183-G185 PolarHBondContact O-N 3.39Å; G185-L187 VanDerWaalsContact C-N 3.3Å |
| 186 | L | 74.1 | Confident | 81.2 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | trans | -77 | -19.4 | -179 | -149.8 | 71.7 | 0 | 0 | 0 | 112.8 | L181 S184 | L181-L186 PolarHBondContact O-N 2.93Å; L181-L186 VanDerWaalsContact O-N 3.16Å; S184-L186 PolarHBondContact O-N 3.27Å | ||
| 187 | L | 71.9 | Confident | 81.4 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | trans | -105.5 | 113.6 | 168.8 | -100.3 | 54.7 | 0 | 0 | 0 | 108.7 | L178 L181 R182 G185 S189 P192 | L178-L187 HydrophobicContact CD2-CD2 4.37Å; L181-L187 HydrophobicContact CB-CD1 4Å; L181-L187 HydrophobicContact CB-CD2 4.35Å; L181-L187 HydrophobicContact CD2-CD1 3.92Å; L181-L187 HydrophobicContact CG-CD1 4.39Å; L181-L187 PolarHBondContact O-N 2.79Å; R182-L187 HydrophobicContact CB-CB 4.43Å; R182-L187 VanDerWaalsContact CD-O 3.27Å; R182-L187 WeakPolarHBondContact CD-O 3.5Å; R182-L187 PolarHBondContact NH1-O 3.13Å; G185-L187 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 3.38Å; L187-P192 HydrophobicContact CD2-CB 4.46Å; L187-P192 HydrophobicContact CD2-CG 3.54Å; L187-P192 HydrophobicContact CG-CG 4.14Å | ||
| 188 | D | 67.2 | Low | 81.7 | Confident | 143 Ų | 143 | 56.1 Ų | 56.1 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -65.3 | -29.4 | 179.1 | -63 | -44.2 | 0 | 0 | 0 | 112.4 | R182 | R182-D188 PolarHBondContact NH1-O 3.07Š|
| 189 | S | 73.5 | Confident | 82 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -121.7 | 148.4 | -173.3 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | L187 A191 P192 | L187-S189 PolarHBondContact O-N 3.38Å; S189-A191 PolarHBondContact O-N 2.93Å; S189-P192 WeakPolarHBondContact O-CD 3.37Å | ||
| 190 | C | 80.5 | Confident | 82.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -76.4 | -6.2 | 170 | -65.3 | 0 | 0 | 0 | 0 | 113.4 | Y118 R182 L193 A194 | Y118-C190 VanDerWaalsContact OH-C 3.3Å; R182-C190 PolarHBondContact NE-SG 2.87Å; C190-L193 PolarHBondContact O-N 3.23Å; C190-A194 PolarHBondContact O-N 3.13Å |
| 191 | A | 82 | Confident | 82.4 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55 | -49.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y118 V134 I136 S189 L193 A194 A195 | Y118-A191 WeakPolarHBondContact OH-CA 2.95Å; Y118-A191 PolarHBondContact OH-N 3.47Å; V134-A191 HydrophobicContact CG1-CB 4.17Å; I136-A191 HydrophobicContact CG1-CB 4.18Å; S189-A191 PolarHBondContact O-N 2.93Å; A191-L193 VanDerWaalsContact C-N 3.32Å; A191-L193 PolarHBondContact O-N 3.45Å; A191-A194 PolarHBondContact O-N 2.81Å; A191-A195 VanDerWaalsContact O-CB 3.28Å; A191-A195 WeakPolarHBondContact O-CB 3.2Å; A191-A195 PolarHBondContact O-N 2.81Å |
| 192 | P | 82.9 | Confident | 82.7 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 179.7 | 24.9 | -35.7 | 0 | 0 | 0 | 112.9 | A140 L187 S189 Y196 | A140-P192 HydrophobicContact CB-CB 4.49Å; L187-P192 HydrophobicContact CD2-CB 4.46Å; L187-P192 HydrophobicContact CD2-CG 3.54Å; L187-P192 HydrophobicContact CG-CG 4.14Å; S189-P192 WeakPolarHBondContact O-CD 3.37Å; P192-Y196 WeakPolarHBondContact O-CB 3.49Å; P192-Y196 PolarHBondContact O-N 3.3Å |
| 193 | L | 85.9 | Confident | 82.9 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 176.3 | -176 | 153.4 | 0 | 0 | 0 | 110.8 | A179 C190 A191 Y196 S197 | A179-L193 HydrophobicContact CB-CD1 3.95Å; C190-L193 PolarHBondContact O-N 3.23Å; A191-L193 VanDerWaalsContact C-N 3.32Å; A191-L193 PolarHBondContact O-N 3.45Å; L193-Y196 PolarHBondContact O-N 3.22Å; L193-S197 WeakPolarHBondContact O-CB 3.41Å; L193-S197 PolarHBondContact O-N 2.92Å; L193-S197 PolarHBondContact O-OG 3.18Å |
| 194 | A | 86.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -53.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | C190 A191 Y196 S197 Y198 | C190-A194 PolarHBondContact O-N 3.13Å; A191-A194 PolarHBondContact O-N 2.81Å; A194-Y196 PolarHBondContact O-N 2.9Å; A194-S197 PolarHBondContact O-N 2.83Å; A194-S197 VanDerWaalsContact O-N 3.15Å; A194-S197 PolarHBondContact O-OG 3.32Å; A194-Y198 HydrophobicContact CB-CD2 4.29Å; A194-Y198 HydrophobicContact CB-CE2 3.94Å; A194-Y198 WeakPolarHBondContact O-CD2 3.37Å; A194-Y198 PolarHBondContact O-N 3.25Å |
| 195 | A | 87.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I136 A140 G141 A191 S197 Y198 G199 | I136-A195 HydrophobicContact CG2-CB 4.2Å; A140-A195 HydrophobicContact CB-CB 4.49Å; G141-A195 WeakPolarHBondContact CA-O 3.41Å; A191-A195 VanDerWaalsContact O-CB 3.28Å; A191-A195 WeakPolarHBondContact O-CB 3.2Å; A191-A195 PolarHBondContact O-N 2.81Å; A195-S197 PolarHBondContact O-N 2.8Å; A195-Y198 PolarHBondContact O-N 3.44Å; A195-G199 PolarHBondContact O-N 3.43Å |
| 196 | Y | 89.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.1 | 179 | -88.5 | 0 | 0 | 0 | 112.2 | A140 L143 G144 L147 P171 V174 L175 L178 P192 L193 A194 G199 A200 | A140-Y196 WeakPolarHBondContact O-CA 3.39Å; A140-Y196 WeakPolarHBondContact O-CD2 3.3Å; L143-Y196 HydrophobicContact CD2-CE2 4.49Å; L143-Y196 HydrophobicContact CG-CE2 4.19Å; G144-Y196 VanDerWaalsContact CA-CE2 3.42Å; L147-Y196 HydrophobicContact CD1-CE2 3.85Å; L147-Y196 WeakPolarHBondContact CD1-OH 3.46Å; P171-Y196 VanDerWaalsContact CA-OH 3.25Å; P171-Y196 WeakPolarHBondContact CA-OH 2.79Å; P171-Y196 PolarHBondContact O-OH 3.18Å; V174-Y196 HydrophobicContact CB-CE2 4.19Å; V174-Y196 HydrophobicContact CG1-CD2 4.21Å; V174-Y196 HydrophobicContact CG1-CE2 3.53Å; L175-Y196 HydrophobicContact CB-CD1 4.23Å; L175-Y196 HydrophobicContact CB-CE1 3.75Å; L175-Y196 HydrophobicContact CD1-CD1 4.19Å; L175-Y196 HydrophobicContact CD1-CE1 4.12Å; L175-Y196 HydrophobicContact CG-CD1 4.33Å; L175-Y196 HydrophobicContact CG-CE1 4.27Å; L178-Y196 HydrophobicContact CD1-CD1 4.21Å; L178-Y196 HydrophobicContact CD1-CD2 3.99Å; L178-Y196 HydrophobicContact CD1-CG 3.69Å; P192-Y196 WeakPolarHBondContact O-CB 3.49Å; P192-Y196 PolarHBondContact O-N 3.3Å; L193-Y196 PolarHBondContact O-N 3.22Å; A194-Y196 PolarHBondContact O-N 2.9Å; Y196-G199 PolarHBondContact O-N 3.46Å; Y196-A200 WeakPolarHBondContact O-CB 3.45Å; Y196-A200 PolarHBondContact O-N 3.46Å |
| 197 | S | 87.5 | Confident | 84 | Confident | 28 Ų | 28 | 27.5 Ų | 27.5 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | -178.7 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | L193 A194 A195 A200 L201 | L193-S197 WeakPolarHBondContact O-CB 3.41Å; L193-S197 PolarHBondContact O-N 2.92Å; L193-S197 PolarHBondContact O-OG 3.18Å; A194-S197 PolarHBondContact O-N 2.83Å; A194-S197 VanDerWaalsContact O-N 3.15Å; A194-S197 PolarHBondContact O-OG 3.32Å; A195-S197 PolarHBondContact O-N 2.8Å; S197-A200 PolarHBondContact O-N 2.91Å; S197-L201 WeakPolarHBondContact O-CG 3.31Å; S197-L201 PolarHBondContact O-N 2.76Å |
| 198 | Y | 90.1 | Very high | 84.3 | Confident | 58 Ų | 58 | 27.7 Ų | 27.7 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69 | -37.1 | 177.1 | -63.5 | -52.4 | 0 | 0 | 0 | 112 | L113 A114 S117 A194 A195 L201 S202 | L113-Y198 HydrophobicContact CB-CD1 3.78Å; L113-Y198 HydrophobicContact CB-CD2 4.22Å; L113-Y198 HydrophobicContact CB-CE1 4.4Å; L113-Y198 HydrophobicContact CB-CG 3.7Å; L113-Y198 HydrophobicContact CD1-CD1 4.22Å; L113-Y198 HydrophobicContact CD1-CG 4.47Å; A114-Y198 HydrophobicContact CB-CD2 3.96Å; A114-Y198 HydrophobicContact CB-CE2 4.32Å; S117-Y198 WeakPolarHBondContact CB-OH 3.47Å; S117-Y198 WeakPolarHBondContact OG-CE2 2.95Å; S117-Y198 PolarHBondContact OG-OH 3.04Å; A194-Y198 HydrophobicContact CB-CD2 4.29Å; A194-Y198 HydrophobicContact CB-CE2 3.94Å; A194-Y198 WeakPolarHBondContact O-CD2 3.37Å; A194-Y198 PolarHBondContact O-N 3.25Å; A195-Y198 PolarHBondContact O-N 3.44Å; Y198-L201 HydrophobicContact CD1-CD1 4.28Å; Y198-L201 PolarHBondContact O-N 3.24Å; Y198-S202 WeakPolarHBondContact O-CB 3.27Å; Y198-S202 PolarHBondContact O-N 3.35Å; Y198-S202 PolarHBondContact O-OG 3.03Å |
| 199 | G | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G141 G145 A195 Y196 S202 G203 | G141-G199 VanDerWaalsContact O-CA 3.26Å; G141-G199 WeakPolarHBondContact O-CA 3.48Å; G145-G199 WeakPolarHBondContact CA-O 3.27Å; G145-G199 PolarHBondContact N-O 3.4Å; A195-G199 PolarHBondContact O-N 3.43Å; Y196-G199 PolarHBondContact O-N 3.46Å; G199-S202 VanDerWaalsContact CA-OG 3.29Å; G199-S202 WeakPolarHBondContact CA-OG 3.39Å; G199-S202 PolarHBondContact O-N 3.34Å; G199-S202 PolarHBondContact O-OG 2.76Å; G199-G203 PolarHBondContact O-N 3.11Å |
| 200 | A | 88.8 | Confident | 84.6 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V148 Y196 S197 G203 W204 | V148-A200 HydrophobicContact CG2-CB 4Å; Y196-A200 WeakPolarHBondContact O-CB 3.45Å; Y196-A200 PolarHBondContact O-N 3.46Å; S197-A200 PolarHBondContact O-N 2.91Å; A200-G203 PolarHBondContact O-N 2.94Å; A200-W204 WeakPolarHBondContact O-CB 3.45Å; A200-W204 PolarHBondContact O-N 3.13Å |
| 201 | L | 87.4 | Confident | 84.3 | Confident | 42 Ų | 42 | 22.5 Ų | 22.5 | 22% | 0.22 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.6 | -74.5 | 169.2 | 0 | 0 | 0 | 111.6 | S197 Y198 G203 W204 V205 F226 | S197-L201 WeakPolarHBondContact O-CG 3.31Å; S197-L201 PolarHBondContact O-N 2.76Å; Y198-L201 HydrophobicContact CD1-CD1 4.28Å; Y198-L201 PolarHBondContact O-N 3.24Å; L201-G203 VanDerWaalsContact C-N 3.35Å; L201-G203 PolarHBondContact O-N 3.36Å; L201-W204 PolarHBondContact O-N 3.14Å; L201-V205 WeakPolarHBondContact O-CG2 2.97Å; L201-V205 PolarHBondContact O-N 3.37Å; L201-F226 HydrophobicContact CD2-CD1 4.4Å; L201-F226 HydrophobicContact CD2-CD2 4.22Å; L201-F226 HydrophobicContact CD2-CE1 3.88Å; L201-F226 HydrophobicContact CD2-CE2 3.66Å; L201-F226 HydrophobicContact CD2-CZ 3.48Å; L201-F226 VanDerWaalsContact CD2-CZ 3.48Å; L201-F226 HydrophobicContact CG-CE2 4.32Å; L201-F226 HydrophobicContact CG-CZ 4.16Å |
| 202 | S | 88.7 | Confident | 83.5 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 178.6 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | S109 Y198 G199 V205 Y206 | S109-S202 WeakPolarHBondContact OG-CB 3.49Å; S109-S202 PolarHBondContact OG-OG 3.05Å; Y198-S202 WeakPolarHBondContact O-CB 3.27Å; Y198-S202 PolarHBondContact O-N 3.35Å; Y198-S202 PolarHBondContact O-OG 3.03Å; G199-S202 VanDerWaalsContact CA-OG 3.29Å; G199-S202 WeakPolarHBondContact CA-OG 3.39Å; G199-S202 PolarHBondContact O-N 3.34Å; G199-S202 PolarHBondContact O-OG 2.76Å; S202-V205 PolarHBondContact O-N 2.52Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.08Å |
| 203 | G | 87.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G199 A200 L201 Y206 L207 | G199-G203 PolarHBondContact O-N 3.11Å; A200-G203 PolarHBondContact O-N 2.94Å; L201-G203 VanDerWaalsContact C-N 3.35Å; L201-G203 PolarHBondContact O-N 3.36Å; G203-Y206 PolarHBondContact O-N 3.36Å; G203-L207 WeakPolarHBondContact O-CB 3.02Å; G203-L207 WeakPolarHBondContact O-CD1 3.48Å; G203-L207 WeakPolarHBondContact O-CG 3.41Å; G203-L207 PolarHBondContact O-N 3.46Å |
| 204 | W | 86.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.6 | 175.7 | 72.9 | 0 | 0 | 0 | 112.6 | V148 A200 L201 Y206 L207 R208 F224 F226 F229 V245 | V148-W204 HydrophobicContact CG1-CB 3.98Å; A200-W204 WeakPolarHBondContact O-CB 3.45Å; A200-W204 PolarHBondContact O-N 3.13Å; L201-W204 PolarHBondContact O-N 3.14Å; W204-Y206 PolarHBondContact O-N 3.17Å; W204-L207 PolarHBondContact O-N 3.42Å; W204-R208 VanDerWaalsContact CZ2-CD 3.48Å; W204-R208 WeakPolarHBondContact O-CB 3.34Å; W204-R208 PolarHBondContact O-N 3.5Å; W204-F224 AromaticContact CD1-CD1 3.98Å; W204-F224 AromaticContact CD1-CE1 3.46Å; W204-F224 VanDerWaalsContact CD1-CE1 3.46Å; W204-F224 AromaticContact CD1-CZ 3.71Å; W204-F224 HydrophobicContact CG-CE1 4.39Å; W204-F224 AromaticContact NE1-CD1 3.98Å; W204-F224 AromaticContact NE1-CE1 3.9Å; W204-F224 PolarHBondContact NE1-O 3.26Å; W204-F226 HydrophobicContact CB-CD2 4.13Å; W204-F226 HydrophobicContact CD2-CB 3.99Å; W204-F226 HydrophobicContact CD2-CD2 4.16Å; W204-F226 HydrophobicContact CD2-CG 4.46Å; W204-F226 HydrophobicContact CE3-CB 4.49Å; W204-F226 HydrophobicContact CG-CB 4.36Å; W204-F226 AromaticContact CG-CD2 3.93Å; W204-F226 HydrophobicContact CG-CD2 3.93Å; W204-F226 HydrophobicContact CZ2-CB 4.03Å; W204-F229 HydrophobicContact CB-CE2 4.49Å; W204-F229 AromaticContact CD1-CE2 3.49Å; W204-F229 VanDerWaalsContact CD1-CE2 3.49Å; W204-F229 AromaticContact CD1-CZ 3.87Å; W204-F229 HydrophobicContact CG-CE2 4.13Å; W204-V245 HydrophobicContact CZ3-CG1 4.3Å |
| 205 | V | 83.7 | Confident | 80 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | L201 S202 R208 F209 Y210 L249 | L201-V205 WeakPolarHBondContact O-CG2 2.97Å; L201-V205 PolarHBondContact O-N 3.37Å; S202-V205 PolarHBondContact O-N 2.52Å; V205-R208 PolarHBondContact O-N 3.45Å; V205-F209 HydrophobicContact CG1-CD2 4.09Å; V205-F209 WeakPolarHBondContact O-CD2 3.49Å; V205-F209 PolarHBondContact O-N 3.37Å; V205-Y210 HydrophobicContact CG1-CE2 4.4Å; V205-L249 HydrophobicContact CB-CD1 4.46Å; V205-L249 HydrophobicContact CG1-CD1 3.97Å; V205-L249 HydrophobicContact CG1-CD2 4.09Å; V205-L249 HydrophobicContact CG2-CD1 3.55Å |
| 206 | Y | 85.6 | Confident | 78.8 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -61.1 | -48.2 | 178.8 | 179.1 | -90.3 | 0 | 0 | 0 | 111.3 | E98 I101 F102 V105 S202 G203 W204 R208 Y210 Q211 | E98-Y206 PolarHBondContact OE2-OH 3.04Å; I101-Y206 HydrophobicContact CG2-CE2 4.03Å; F102-Y206 HydrophobicContact CB-CE1 4.13Å; F102-Y206 AromaticContact CD2-CD1 3.36Å; F102-Y206 HydrophobicContact CD2-CD1 3.36Å; F102-Y206 AromaticContact CD2-CE1 3.61Å; F102-Y206 HydrophobicContact CD2-CE1 3.61Å; F102-Y206 HydrophobicContact CD2-CG 4.03Å; F102-Y206 AromaticContact CE2-CD1 3.87Å; F102-Y206 HydrophobicContact CE2-CD1 3.87Å; F102-Y206 HydrophobicContact CE2-CE1 4.49Å; F102-Y206 HydrophobicContact CE2-CG 4.46Å; F102-Y206 HydrophobicContact CG-CD1 4.46Å; F102-Y206 HydrophobicContact CG-CE1 4.33Å; V105-Y206 HydrophobicContact CB-CD2 4.29Å; V105-Y206 HydrophobicContact CG1-CD2 3.91Å; V105-Y206 HydrophobicContact CG2-CD2 4.48Å; V105-Y206 HydrophobicContact CG2-CE2 4.35Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.08Å; G203-Y206 PolarHBondContact O-N 3.36Å; W204-Y206 PolarHBondContact O-N 3.17Å; Y206-R208 PolarHBondContact O-N 2.84Å; Y206-Y210 CarbonylContact O-C 3.59Å; Y206-Y210 VanDerWaalsContact O-CA 3.32Å; Y206-Y210 WeakPolarHBondContact O-CA 3.4Å; Y206-Y210 WeakPolarHBondContact O-CB 3.37Å; Y206-Y210 PolarHBondContact O-N 3.37Å; Y206-Q211 HydrophobicContact CE1-CB 4.43Å; Y206-Q211 PolarHBondContact O-N 2.93Å |
| 207 | L | 82.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -68.9 | -37.2 | -178 | -66.1 | 165.4 | 0 | 0 | 0 | 112.6 | W94 F102 V148 A149 G203 W204 Q211 G218 D219 F224 | W94-L207 HydrophobicContact CH2-CD2 3.41Å; W94-L207 VanDerWaalsContact CH2-CD2 3.41Å; W94-L207 HydrophobicContact CZ2-CD2 3.66Å; W94-L207 HydrophobicContact CZ3-CD2 4.28Å; F102-L207 HydrophobicContact CE2-CD1 4.43Å; F102-L207 HydrophobicContact CE2-CD2 4.32Å; F102-L207 HydrophobicContact CE2-CG 4.23Å; V148-L207 HydrophobicContact CG1-CD1 3.91Å; A149-L207 HydrophobicContact CB-CD1 3.76Å; G203-L207 WeakPolarHBondContact O-CB 3.02Å; G203-L207 WeakPolarHBondContact O-CD1 3.48Å; G203-L207 WeakPolarHBondContact O-CG 3.41Å; G203-L207 PolarHBondContact O-N 3.46Å; W204-L207 PolarHBondContact O-N 3.42Å; L207-Q211 HydrophobicContact CD2-CB 4.48Å; L207-Q211 HydrophobicContact CD2-CG 4.43Å; L207-G218 WeakPolarHBondContact O-CA 3.31Å; L207-D219 PolarHBondContact O-N 3.38Å; L207-F224 HydrophobicContact CB-CE1 3.74Å; L207-F224 HydrophobicContact CB-CZ 3.64Å; L207-F224 HydrophobicContact CD1-CZ 3.89Å; L207-F224 HydrophobicContact CG-CZ 4.44Å |
| 208 | R | 77.9 | Confident | 76.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -72.2 | -39.3 | 179.9 | -170.2 | 148.4 | -174.5 | 94.2 | -9.8 | 112.7 | W204 V205 Y206 G218 D219 M220 S221 F224 | W204-R208 VanDerWaalsContact CZ2-CD 3.48Å; W204-R208 WeakPolarHBondContact O-CB 3.34Å; W204-R208 PolarHBondContact O-N 3.5Å; V205-R208 PolarHBondContact O-N 3.45Å; Y206-R208 PolarHBondContact O-N 2.84Å; R208-G218 VanDerWaalsContact O-CA 3.29Å; R208-G218 WeakPolarHBondContact O-CA 3.17Å; R208-D219 WeakPolarHBondContact CG-O 3.37Å; R208-D219 PolarHBondContact NH1-O 3.45Å; R208-D219 PolarHBondContact O-N 2.9Å; R208-M220 HydrophobicContact CG-CE 4.43Å; R208-M220 HydrophobicContact CG-SD 4.21Å; R208-M220 VanDerWaalsContact NH1-C 3.3Å; R208-M220 PolarHBondContact NH2-O 3.31Å; R208-M220 VanDerWaalsContact NH2-O 3.12Å; R208-M220 WeakPolarHBondContact O-CE 3.36Å; R208-S221 PolarHBondContact NH1-O 2.86Å; R208-F224 HydrophobicContact CB-CD1 4.24Å; R208-F224 HydrophobicContact CB-CE1 4.05Å |
| 209 | F | 73.3 | Confident | 75.7 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -114.5 | -29.4 | -170.7 | -60.3 | -72.2 | 0 | 0 | 0 | 115.4 | V205 M220 H246 C255 | V205-F209 HydrophobicContact CG1-CD2 4.09Å; V205-F209 WeakPolarHBondContact O-CD2 3.49Å; V205-F209 PolarHBondContact O-N 3.37Å; F209-M220 HydrophobicContact CD1-CE 3.61Å; F209-M220 HydrophobicContact CE1-CE 3.84Å; F209-M220 HydrophobicContact CE1-SD 4.22Å; F209-H246 AromaticContact CE1-CD2 3.86Å; F209-H246 AromaticContact CE1-NE2 3.82Å; F209-H246 AromaticContact CZ-CD2 3.28Å; F209-H246 WeakPolarHBondContact CZ-CD2 3.34Å; F209-H246 AromaticContact CZ-NE2 3.73Å; F209-C255 HydrophobicContact CD1-CB 4.32Å; F209-C255 VanDerWaalsContact CD2-SG 3.54Å; F209-C255 WeakPolarHBondContact CG-SG 3.34Å |
| 210 | Y | 73 | Confident | 74.2 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -111.1 | -25.8 | -166.2 | -72.8 | -84.3 | 0 | 0 | 0 | 114.5 | V205 Y206 R212 V254 | V205-Y210 HydrophobicContact CG1-CE2 4.4Å; Y206-Y210 CarbonylContact O-C 3.59Å; Y206-Y210 VanDerWaalsContact O-CA 3.32Å; Y206-Y210 WeakPolarHBondContact O-CA 3.4Å; Y206-Y210 WeakPolarHBondContact O-CB 3.37Å; Y206-Y210 PolarHBondContact O-N 3.37Å; Y210-R212 PolarHBondContact O-N 2.87Å; Y210-V254 HydrophobicContact CE2-CG1 4.22Å; Y210-V254 WeakPolarHBondContact OH-CG1 3.37Å; Y210-V254 PolarHBondContact OH-O 2.74Å |
| 211 | Q | 75.1 | Confident | 72.8 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | trans | -56.9 | 125 | -177.5 | -174.2 | -178.7 | 13.1 | 0 | 0 | 111.1 | Y206 L207 H213 G218 | Y206-Q211 HydrophobicContact CE1-CB 4.43Å; Y206-Q211 PolarHBondContact O-N 2.93Å; L207-Q211 HydrophobicContact CD2-CB 4.48Å; L207-Q211 HydrophobicContact CD2-CG 4.43Å; Q211-H213 PolarHBondContact O-N 3.34Å; Q211-G218 PolarHBondContact O-N 3.42Å | ||
| 212 | R | 64.8 | Low | 71.6 | Confident | 176 Ų | 176 | 67.9 Ų | 67.9 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.1 | 177.1 | -167.5 | 173.1 | -175.9 | 146 | -1.6 | 108.6 | Y210 | Y210-R212 PolarHBondContact O-N 2.87Å |
| 213 | H | 65.9 | Low | 70.3 | Confident | 105 Ų | 105 | 75 Ų | 75 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.7 | 173.8 | -150.7 | 63.3 | 0 | 0 | 0 | 109.8 | Q211 R215 G216 | Q211-H213 PolarHBondContact O-N 3.34Å; H213-R215 PolarHBondContact O-N 3.49Å; H213-G216 CarbonylContact C-O 3.59Å; H213-G216 WeakPolarHBondContact CA-O 3.32Å; H213-G216 WeakPolarHBondContact CB-O 3.23Å; H213-G216 PolarHBondContact N-O 3.49Å; H213-G216 PolarHBondContact O-N 3.01Å; H213-G216 VanDerWaalsContact O-N 3.08Å |
| 214 | S | 56.5 | Low | 69.2 | Low | 132 Ų | 132 | 75.2 Ų | 75.2 | 92% | 0.923 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.4 | -180 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 215 | R | 57.9 | Low | 68.3 | Low | 240 Ų | 240 | 76.2 Ų | 76.2 | 91% | 0.906 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -1.8 | 179.3 | -66.9 | 178.3 | 137.8 | 168.6 | -5.4 | 114.6 | H213 | H213-R215 PolarHBondContact O-N 3.49Š|
| 216 | G | 64.3 | Low | 67.5 | Low | 40 Ų | 40 | 76.5 Ų | 76.5 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.7 | -171.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H213 | H213-G216 CarbonylContact C-O 3.59Å; H213-G216 WeakPolarHBondContact CA-O 3.32Å; H213-G216 WeakPolarHBondContact CB-O 3.23Å; H213-G216 PolarHBondContact N-O 3.49Å; H213-G216 PolarHBondContact O-N 3.01Å; H213-G216 VanDerWaalsContact O-N 3.08Å |
| 217 | R | 66.3 | Low | 66.6 | Low | 168 Ų | 168 | 76.7 Ų | 76.7 | 63% | 0.634 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.4 | 173.7 | -74.1 | -172.6 | 170.9 | 113 | -3.2 | 110.6 | ||
| 218 | G | 68.3 | Low | 65.8 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 73.8 | 172.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L207 R208 Q211 | L207-G218 WeakPolarHBondContact O-CA 3.31Å; R208-G218 VanDerWaalsContact O-CA 3.29Å; R208-G218 WeakPolarHBondContact O-CA 3.17Å; Q211-G218 PolarHBondContact O-N 3.42Å |
| 219 | D | 65.8 | Low | 65.3 | Low | 46 Ų | 46 | 76.4 Ų | 76.4 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | trans | -112.6 | 106.6 | 172.6 | -175.4 | -5.2 | 0 | 0 | 0 | 111 | L207 R208 S221 | L207-D219 PolarHBondContact O-N 3.38Å; R208-D219 WeakPolarHBondContact CG-O 3.37Å; R208-D219 PolarHBondContact NH1-O 3.45Å; R208-D219 PolarHBondContact O-N 2.9Å; D219-S221 WeakPolarHBondContact OD1-CB 3.19Å; D219-S221 PolarHBondContact OD1-N 3.14Å; D219-S221 PolarHBondContact OD1-OG 3.09Å; D219-S221 PolarHBondContact OD2-OG 2.9Å | ||
| 220 | M | 58.8 | Low | 65 | Low | 88 Ų | 88 | 76.8 Ų | 76.8 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | trans | -90.4 | 5.1 | -179.4 | -64.5 | -61.4 | 157.4 | 0 | 0 | 113.9 | R208 F209 | R208-M220 HydrophobicContact CG-CE 4.43Å; R208-M220 HydrophobicContact CG-SD 4.21Å; R208-M220 VanDerWaalsContact NH1-C 3.3Å; R208-M220 PolarHBondContact NH2-O 3.31Å; R208-M220 VanDerWaalsContact NH2-O 3.12Å; R208-M220 WeakPolarHBondContact O-CE 3.36Å; F209-M220 HydrophobicContact CD1-CE 3.61Å; F209-M220 HydrophobicContact CE1-CE 3.84Å; F209-M220 HydrophobicContact CE1-SD 4.22Å | ||
| 221 | S | 60.1 | Low | 64.9 | Low | 40 Ų | 40 | 75.4 Ų | 75.4 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | trans | -61.3 | 145 | -179 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | R208 D219 H223 F224 | R208-S221 PolarHBondContact NH1-O 2.86Å; D219-S221 WeakPolarHBondContact OD1-CB 3.19Å; D219-S221 PolarHBondContact OD1-N 3.14Å; D219-S221 PolarHBondContact OD1-OG 3.09Å; D219-S221 PolarHBondContact OD2-OG 2.9Å; S221-H223 PolarHBondContact O-N 2.87Å; S221-F224 PolarHBondContact O-N 3.1Å; S221-F224 VanDerWaalsContact O-N 3.16Å; S221-F224 PolarHBondContact OG-N 2.97Å | ||
| 222 | D | 60.7 | Low | 64.6 | Low | 139 Ų | 139 | 82 Ų | 82 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -69.1 | -19.6 | 174.7 | -68.9 | -31.9 | 0 | 0 | 0 | 111.6 | F224 A225 | D222-F224 PolarHBondContact O-N 3.05Å; D222-A225 VanDerWaalsContact O-CB 3.27Å; D222-A225 WeakPolarHBondContact O-CB 3.49Å; D222-A225 PolarHBondContact O-N 3.21Å; D222-A225 VanDerWaalsContact O-N 3.16Å |
| 223 | H | 61.3 | Low | 64.8 | Low | 161 Ų | 161 | 78 Ų | 78 | 75% | 0.745 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -63.2 | -29.8 | 170.8 | -61 | -58.3 | 0 | 0 | 0 | 112.6 | S221 S228 | S221-H223 PolarHBondContact O-N 2.87Å; H223-S228 PolarHBondContact O-OG 3.35Å |
| 224 | F | 65.6 | Low | 64.9 | Low | 5 Ų | 5 | 76.1 Ų | 76.1 | 2% | 0.022 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -95.8 | 24.6 | 174.9 | -164.6 | -111.9 | 0 | 0 | 0 | 113.3 | V148 Q152 W204 L207 R208 S221 D222 F229 | V148-F224 HydrophobicContact CG1-CE2 3.95Å; V148-F224 HydrophobicContact CG1-CZ 3.74Å; Q152-F224 HydrophobicContact CB-CD2 3.93Å; Q152-F224 HydrophobicContact CB-CE2 3.63Å; Q152-F224 HydrophobicContact CB-CZ 4.39Å; Q152-F224 HydrophobicContact CG-CD2 3.91Å; Q152-F224 HydrophobicContact CG-CE2 3.93Å; Q152-F224 HydrophobicContact CG-CG 4.46Å; Q152-F224 HydrophobicContact CG-CZ 4.48Å; W204-F224 AromaticContact CD1-CD1 3.98Å; W204-F224 AromaticContact CD1-CE1 3.46Å; W204-F224 VanDerWaalsContact CD1-CE1 3.46Å; W204-F224 AromaticContact CD1-CZ 3.71Å; W204-F224 HydrophobicContact CG-CE1 4.39Å; W204-F224 AromaticContact NE1-CD1 3.98Å; W204-F224 AromaticContact NE1-CE1 3.9Å; W204-F224 PolarHBondContact NE1-O 3.26Å; L207-F224 HydrophobicContact CB-CE1 3.74Å; L207-F224 HydrophobicContact CB-CZ 3.64Å; L207-F224 HydrophobicContact CD1-CZ 3.89Å; L207-F224 HydrophobicContact CG-CZ 4.44Å; R208-F224 HydrophobicContact CB-CD1 4.24Å; R208-F224 HydrophobicContact CB-CE1 4.05Å; S221-F224 PolarHBondContact O-N 3.1Å; S221-F224 VanDerWaalsContact O-N 3.16Å; S221-F224 PolarHBondContact OG-N 2.97Å; D222-F224 PolarHBondContact O-N 3.05Å; F224-F229 HydrophobicContact CD2-CZ 4.1Å; F224-F229 HydrophobicContact CE2-CE1 4.32Å; F224-F229 AromaticContact CE2-CZ 3.7Å; F224-F229 HydrophobicContact CE2-CZ 3.7Å; F224-F229 HydrophobicContact CZ-CZ 4.22Å |
| 225 | A | 67.2 | Low | 65.8 | Low | 29 Ų | 29 | 73 Ų | 73 | 24% | 0.24 | 39% | 0.388 | C | S | . | . | trans | -67.5 | 143.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | D222 A227 S228 | D222-A225 VanDerWaalsContact O-CB 3.27Å; D222-A225 WeakPolarHBondContact O-CB 3.49Å; D222-A225 PolarHBondContact O-N 3.21Å; D222-A225 VanDerWaalsContact O-N 3.16Å; A225-A227 PolarHBondContact O-N 3.44Å; A225-A227 VanDerWaalsContact O-N 3.16Å; A225-S228 WeakPolarHBondContact O-CB 3.31Å; A225-S228 PolarHBondContact O-N 3.15Å; A225-S228 PolarHBondContact O-OG 3.36Å | ||
| 226 | F | 66.9 | Low | 66.4 | Low | 25 Ų | 25 | 65.8 Ų | 65.8 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -61.1 | -28.3 | 179.3 | -172 | -101.3 | 0 | 0 | 0 | 113 | L201 W204 S228 F229 F230 V238 A242 | L201-F226 HydrophobicContact CD2-CD1 4.4Å; L201-F226 HydrophobicContact CD2-CD2 4.22Å; L201-F226 HydrophobicContact CD2-CE1 3.88Å; L201-F226 HydrophobicContact CD2-CE2 3.66Å; L201-F226 HydrophobicContact CD2-CZ 3.48Å; L201-F226 VanDerWaalsContact CD2-CZ 3.48Å; L201-F226 HydrophobicContact CG-CE2 4.32Å; L201-F226 HydrophobicContact CG-CZ 4.16Å; W204-F226 HydrophobicContact CB-CD2 4.13Å; W204-F226 HydrophobicContact CD2-CB 3.99Å; W204-F226 HydrophobicContact CD2-CD2 4.16Å; W204-F226 HydrophobicContact CD2-CG 4.46Å; W204-F226 HydrophobicContact CE3-CB 4.49Å; W204-F226 HydrophobicContact CG-CB 4.36Å; W204-F226 AromaticContact CG-CD2 3.93Å; W204-F226 HydrophobicContact CG-CD2 3.93Å; W204-F226 HydrophobicContact CZ2-CB 4.03Å; F226-S228 VanDerWaalsContact C-N 3.27Å; F226-S228 PolarHBondContact O-N 2.88Å; F226-F229 VanDerWaalsContact CA-CD2 3.43Å; F226-F229 HydrophobicContact CB-CD2 4.16Å; F226-F229 HydrophobicContact CB-CE2 4.21Å; F226-F229 AromaticContact CD2-CD2 3.46Å; F226-F229 HydrophobicContact CD2-CD2 3.46Å; F226-F229 VanDerWaalsContact CD2-CD2 3.46Å; F226-F229 AromaticContact CD2-CE2 3.66Å; F226-F229 HydrophobicContact CD2-CE2 3.66Å; F226-F229 HydrophobicContact CE2-CD2 4.04Å; F226-F229 HydrophobicContact CE2-CE2 4.46Å; F226-F229 AromaticContact CG-CD2 3.93Å; F226-F229 HydrophobicContact CG-CD2 3.93Å; F226-F229 HydrophobicContact CG-CE2 4.27Å; F226-F229 WeakPolarHBondContact O-CB 3.45Å; F226-F229 WeakPolarHBondContact O-CD2 3.26Å; F226-F229 PolarHBondContact O-N 3.45Å; F226-F230 HydrophobicContact CD1-CE2 4.37Å; F226-F230 AromaticContact CE1-CE2 3.78Å; F226-F230 HydrophobicContact CE1-CE2 3.78Å; F226-F230 HydrophobicContact CE1-CZ 4.43Å; F226-F230 AromaticContact CZ-CE2 3.96Å; F226-F230 HydrophobicContact CZ-CE2 3.96Å; F226-F230 HydrophobicContact CZ-CZ 4.42Å; F226-V238 HydrophobicContact CD1-CG1 3.26Å; F226-V238 HydrophobicContact CE1-CG1 3.61Å; F226-V238 HydrophobicContact CG-CG1 4.32Å; F226-A242 HydrophobicContact CB-CB 3.75Å; F226-A242 HydrophobicContact CD1-CB 4.39Å |
| 227 | A | 67.1 | Low | 66.7 | Low | 16 Ų | 16 | 66.7 Ų | 66.7 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -57.3 | -37.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A225 F229 F230 Q235 | A225-A227 PolarHBondContact O-N 3.44Å; A225-A227 VanDerWaalsContact O-N 3.16Å; A227-F229 PolarHBondContact O-N 2.84Å; A227-F230 PolarHBondContact O-N 3.43Å; A227-Q235 HydrophobicContact CB-CB 4.25Å; A227-Q235 WeakPolarHBondContact CB-O 3.39Å; A227-Q235 WeakPolarHBondContact O-CG 3.47Å |
| 228 | S | 66.1 | Low | 67.1 | Low | 22 Ų | 22 | 59.2 Ų | 59.2 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -69.2 | -8 | -175.7 | 80 | 0 | 0 | 0 | 0 | 113.2 | K151 H223 A225 F226 F230 | K151-S228 PolarHBondContact NZ-O 3.47Å; K151-S228 PolarHBondContact NZ-OG 3.31Å; H223-S228 PolarHBondContact O-OG 3.35Å; A225-S228 WeakPolarHBondContact O-CB 3.31Å; A225-S228 PolarHBondContact O-N 3.15Å; A225-S228 PolarHBondContact O-OG 3.36Å; F226-S228 VanDerWaalsContact C-N 3.27Å; F226-S228 PolarHBondContact O-N 2.88Å; S228-F230 VanDerWaalsContact C-N 3.25Å |
| 229 | F | 66.2 | Low | 67.3 | Low | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -73.9 | -17.4 | 172.1 | -61.8 | -66.8 | 0 | 0 | 0 | 112.6 | V148 K151 P171 A172 W204 F224 F226 A227 | V148-F229 HydrophobicContact CB-CE1 4.31Å; V148-F229 HydrophobicContact CB-CZ 4.42Å; V148-F229 HydrophobicContact CG1-CE1 3.94Å; V148-F229 HydrophobicContact CG1-CE2 4.35Å; V148-F229 HydrophobicContact CG1-CZ 3.62Å; V148-F229 HydrophobicContact CG2-CE1 4.14Å; V148-F229 HydrophobicContact CG2-CZ 4.3Å; K151-F229 HydrophobicContact CB-CE1 4.26Å; K151-F229 HydrophobicContact CD-CD1 3.39Å; K151-F229 HydrophobicContact CD-CE1 3.47Å; K151-F229 VanDerWaalsContact CD-CE1 3.47Å; K151-F229 HydrophobicContact CG-CE1 4.3Å; K151-F229 VanDerWaalsContact NZ-CA 3.3Å; K151-F229 VanDerWaalsContact NZ-CE1 3.29Å; P171-F229 HydrophobicContact CB-CD1 4.39Å; P171-F229 HydrophobicContact CG-CD1 3.93Å; A172-F229 WeakPolarHBondContact CB-O 3.21Å; W204-F229 HydrophobicContact CB-CE2 4.49Å; W204-F229 AromaticContact CD1-CE2 3.49Å; W204-F229 VanDerWaalsContact CD1-CE2 3.49Å; W204-F229 AromaticContact CD1-CZ 3.87Å; W204-F229 HydrophobicContact CG-CE2 4.13Å; F224-F229 HydrophobicContact CD2-CZ 4.1Å; F224-F229 HydrophobicContact CE2-CE1 4.32Å; F224-F229 AromaticContact CE2-CZ 3.7Å; F224-F229 HydrophobicContact CE2-CZ 3.7Å; F224-F229 HydrophobicContact CZ-CZ 4.22Å; F226-F229 VanDerWaalsContact CA-CD2 3.43Å; F226-F229 HydrophobicContact CB-CD2 4.16Å; F226-F229 HydrophobicContact CB-CE2 4.21Å; F226-F229 AromaticContact CD2-CD2 3.46Å; F226-F229 HydrophobicContact CD2-CD2 3.46Å; F226-F229 VanDerWaalsContact CD2-CD2 3.46Å; F226-F229 AromaticContact CD2-CE2 3.66Å; F226-F229 HydrophobicContact CD2-CE2 3.66Å; F226-F229 HydrophobicContact CE2-CD2 4.04Å; F226-F229 HydrophobicContact CE2-CE2 4.46Å; F226-F229 AromaticContact CG-CD2 3.93Å; F226-F229 HydrophobicContact CG-CD2 3.93Å; F226-F229 HydrophobicContact CG-CE2 4.27Å; F226-F229 WeakPolarHBondContact O-CB 3.45Å; F226-F229 WeakPolarHBondContact O-CD2 3.26Å; F226-F229 PolarHBondContact O-N 3.45Å; A227-F229 PolarHBondContact O-N 2.84Å |
| 230 | F | 67.8 | Low | 67.5 | Low | 37 Ų | 37 | 63.5 Ų | 63.5 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -112.6 | 155.7 | -174.4 | -64.5 | -94.8 | 0 | 0 | 0 | 111.8 | A172 F226 A227 S228 V234 Q235 V238 | A172-F230 HydrophobicContact CB-CD1 3.76Å; A172-F230 HydrophobicContact CB-CE1 4.03Å; A172-F230 HydrophobicContact CB-CG 4.28Å; F226-F230 HydrophobicContact CD1-CE2 4.37Å; F226-F230 AromaticContact CE1-CE2 3.78Å; F226-F230 HydrophobicContact CE1-CE2 3.78Å; F226-F230 HydrophobicContact CE1-CZ 4.43Å; F226-F230 AromaticContact CZ-CE2 3.96Å; F226-F230 HydrophobicContact CZ-CE2 3.96Å; F226-F230 HydrophobicContact CZ-CZ 4.42Å; A227-F230 PolarHBondContact O-N 3.43Å; S228-F230 VanDerWaalsContact C-N 3.25Å; F230-V234 HydrophobicContact CB-CB 4.21Å; F230-V234 HydrophobicContact CB-CG1 4.48Å; F230-Q235 WeakPolarHBondContact O-CG 3.47Å; F230-Q235 PolarHBondContact O-NE2 2.88Å; F230-V238 HydrophobicContact CB-CG2 4.49Å; F230-V238 HydrophobicContact CD1-CG2 4.44Å; F230-V238 HydrophobicContact CD2-CB 4.19Å; F230-V238 HydrophobicContact CD2-CG1 3.67Å; F230-V238 HydrophobicContact CD2-CG2 3.85Å; F230-V238 HydrophobicContact CE2-CG1 3.8Å; F230-V238 HydrophobicContact CE2-CG2 4.15Å; F230-V238 HydrophobicContact CG-CG2 4Å |
| 231 | P | 70.2 | Confident | 68.2 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | trans | -57.1 | 150.6 | 174.2 | -21.2 | 32.2 | 0 | 0 | 0 | 111.9 | A233 V234 Q235 | P231-A233 PolarHBondContact O-N 3.25Å; P231-V234 PolarHBondContact O-N 2.82Å; P231-Q235 WeakPolarHBondContact O-CG 3.31Å; P231-Q235 PolarHBondContact O-N 2.91Å | ||
| 232 | E | 69.8 | Low | 68.8 | Low | 150 Ų | 150 | 62.9 Ų | 62.9 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | -35.9 | -173.2 | -69.4 | 176.8 | -172.1 | 0 | 0 | 114.2 | V234 Q235 | E232-V234 VanDerWaalsContact C-N 3.31Å; E232-V234 PolarHBondContact O-N 2.85Å; E232-Q235 PolarHBondContact O-N 3.16Å |
| 233 | A | 67.7 | Low | 69.3 | Low | 93 Ų | 93 | 58.2 Ų | 58.2 | 77% | 0.769 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P231 | P231-A233 PolarHBondContact O-N 3.25Š|
| 234 | V | 69.3 | Low | 69.9 | Low | 66 Ų | 66 | 56 Ų | 56 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -12.6 | -173.8 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | F230 P231 E232 P236 A237 V238 | F230-V234 HydrophobicContact CB-CB 4.21Å; F230-V234 HydrophobicContact CB-CG1 4.48Å; P231-V234 PolarHBondContact O-N 2.82Å; E232-V234 VanDerWaalsContact C-N 3.31Å; E232-V234 PolarHBondContact O-N 2.85Å; V234-P236 VanDerWaalsContact C-CD 3.48Å; V234-A237 PolarHBondContact O-N 3.42Å; V234-V238 HydrophobicContact CG1-CG2 3.79Å; V234-V238 WeakPolarHBondContact O-CG2 3.5Å; V234-V238 PolarHBondContact O-N 2.92Å |
| 235 | Q | 74.4 | Confident | 70.2 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.7 | -43.9 | 178.7 | -65.6 | -170.8 | -16.4 | 0 | 0 | 115 | A227 F230 P231 E232 V238 G239 | A227-Q235 HydrophobicContact CB-CB 4.25Å; A227-Q235 WeakPolarHBondContact CB-O 3.39Å; A227-Q235 WeakPolarHBondContact O-CG 3.47Å; F230-Q235 WeakPolarHBondContact O-CG 3.47Å; F230-Q235 PolarHBondContact O-NE2 2.88Å; P231-Q235 WeakPolarHBondContact O-CG 3.31Å; P231-Q235 PolarHBondContact O-N 2.91Å; E232-Q235 PolarHBondContact O-N 3.16Å; Q235-V238 PolarHBondContact O-N 3.18Å; Q235-G239 WeakPolarHBondContact O-CA 3.32Å; Q235-G239 PolarHBondContact O-N 2.73Å |
| 236 | P | 70.3 | Confident | 70.4 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | -178.4 | 23.4 | -32.6 | 0 | 0 | 0 | 112.4 | V234 G239 L240 | V234-P236 VanDerWaalsContact C-CD 3.48Å; P236-G239 PolarHBondContact O-N 2.64Å; P236-L240 WeakPolarHBondContact O-CG 3.34Å; P236-L240 PolarHBondContact O-N 2.9Å; P236-L240 VanDerWaalsContact O-N 3.11Å |
| 237 | A | 70.4 | Confident | 70.3 | Confident | 58 Ų | 58 | 62 Ų | 62 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V234 G239 L240 L241 | V234-A237 PolarHBondContact O-N 3.42Å; A237-G239 VanDerWaalsContact C-N 3.33Å; A237-L240 PolarHBondContact O-N 3.16Å; A237-L241 PolarHBondContact O-N 3.37Å |
| 238 | V | 74.5 | Confident | 70.3 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | F226 F230 V234 Q235 L241 A242 | F226-V238 HydrophobicContact CD1-CG1 3.26Å; F226-V238 HydrophobicContact CE1-CG1 3.61Å; F226-V238 HydrophobicContact CG-CG1 4.32Å; F230-V238 HydrophobicContact CB-CG2 4.49Å; F230-V238 HydrophobicContact CD1-CG2 4.44Å; F230-V238 HydrophobicContact CD2-CB 4.19Å; F230-V238 HydrophobicContact CD2-CG1 3.67Å; F230-V238 HydrophobicContact CD2-CG2 3.85Å; F230-V238 HydrophobicContact CE2-CG1 3.8Å; F230-V238 HydrophobicContact CE2-CG2 4.15Å; F230-V238 HydrophobicContact CG-CG2 4Å; V234-V238 HydrophobicContact CG1-CG2 3.79Å; V234-V238 WeakPolarHBondContact O-CG2 3.5Å; V234-V238 PolarHBondContact O-N 2.92Å; Q235-V238 PolarHBondContact O-N 3.18Å; V238-L241 PolarHBondContact O-N 2.76Å; V238-A242 VanDerWaalsContact O-CB 3.28Å; V238-A242 WeakPolarHBondContact O-CB 3.47Å; V238-A242 PolarHBondContact O-N 3.39Å |
| 239 | G | 72.4 | Confident | 70.3 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q235 P236 A237 A242 G243 | Q235-G239 WeakPolarHBondContact O-CA 3.32Å; Q235-G239 PolarHBondContact O-N 2.73Å; P236-G239 PolarHBondContact O-N 2.64Å; A237-G239 VanDerWaalsContact C-N 3.33Å; G239-A242 PolarHBondContact O-N 2.77Å; G239-G243 PolarHBondContact O-N 3.18Å |
| 240 | L | 71.9 | Confident | 70.3 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 172.5 | -67.9 | 172.8 | 0 | 0 | 0 | 111.4 | P236 A237 A242 G243 L244 | P236-L240 WeakPolarHBondContact O-CG 3.34Å; P236-L240 PolarHBondContact O-N 2.9Å; P236-L240 VanDerWaalsContact O-N 3.11Å; A237-L240 PolarHBondContact O-N 3.16Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 3.4Å; L240-G243 PolarHBondContact O-N 3.35Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 2.75Å |
| 241 | L | 72.9 | Confident | 70.2 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.5 | -71.7 | 170.5 | 0 | 0 | 0 | 111.9 | A237 V238 G243 L244 V245 | A237-L241 PolarHBondContact O-N 3.37Å; V238-L241 PolarHBondContact O-N 2.76Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.21Å; L241-L244 WeakPolarHBondContact O-CB 2.75Å; L241-L244 PolarHBondContact O-N 3.15Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 3Å |
| 242 | A | 71.7 | Confident | 70.1 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 11% | 0.107 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F226 V238 G239 L240 V245 H246 | F226-A242 HydrophobicContact CB-CB 3.75Å; F226-A242 HydrophobicContact CD1-CB 4.39Å; V238-A242 VanDerWaalsContact O-CB 3.28Å; V238-A242 WeakPolarHBondContact O-CB 3.47Å; V238-A242 PolarHBondContact O-N 3.39Å; G239-A242 PolarHBondContact O-N 2.77Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 3.4Å; A242-V245 PolarHBondContact O-N 3.09Å; A242-H246 VanDerWaalsContact O-CB 3.31Å; A242-H246 WeakPolarHBondContact O-CB 3.47Å; A242-H246 PolarHBondContact O-N 2.9Å |
| 243 | G | 71.9 | Confident | 69.6 | Low | 40 Ų | 40 | 75.8 Ų | 75.8 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G239 L240 L241 H246 A247 | G239-G243 PolarHBondContact O-N 3.18Å; L240-G243 PolarHBondContact O-N 3.35Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.21Å; G243-H246 PolarHBondContact O-N 2.81Å; G243-A247 WeakPolarHBondContact O-CB 3.46Å; G243-A247 PolarHBondContact O-N 3.5Å |
| 244 | L | 73.4 | Confident | 69.1 | Low | 116 Ų | 116 | 74.3 Ų | 74.3 | 61% | 0.607 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 175.3 | -70.8 | 174.4 | 0 | 0 | 0 | 112 | L240 L241 H246 A247 A248 | L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 2.75Å; L241-L244 WeakPolarHBondContact O-CB 2.75Å; L241-L244 PolarHBondContact O-N 3.15Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 3.1Å; L244-A247 PolarHBondContact O-N 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 3.44Å |
| 245 | V | 73.1 | Confident | 68.4 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | W204 L241 A242 A248 L249 | W204-V245 HydrophobicContact CZ3-CG1 4.3Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 3Å; A242-V245 PolarHBondContact O-N 3.09Å; V245-A248 PolarHBondContact O-N 3.39Å; V245-L249 HydrophobicContact CG1-CD1 3.62Å; V245-L249 HydrophobicContact CG1-CG 4.4Å; V245-L249 WeakPolarHBondContact O-CB 3.47Å; V245-L249 VanDerWaalsContact O-CD1 3.32Å; V245-L249 WeakPolarHBondContact O-CD1 3.29Å; V245-L249 VanDerWaalsContact O-CG 3.23Å; V245-L249 WeakPolarHBondContact O-CG 2.97Å; V245-L249 PolarHBondContact O-N 3.5Å |
| 246 | H | 70.1 | Confident | 67.3 | Low | 78 Ų | 78 | 78.9 Ų | 78.9 | 36% | 0.361 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.4 | 179.6 | -113.5 | 0 | 0 | 0 | 112.3 | F209 A242 G243 L244 A248 L249 V250 | F209-H246 AromaticContact CE1-CD2 3.86Å; F209-H246 AromaticContact CE1-NE2 3.82Å; F209-H246 AromaticContact CZ-CD2 3.28Å; F209-H246 WeakPolarHBondContact CZ-CD2 3.34Å; F209-H246 AromaticContact CZ-NE2 3.73Å; A242-H246 VanDerWaalsContact O-CB 3.31Å; A242-H246 WeakPolarHBondContact O-CB 3.47Å; A242-H246 PolarHBondContact O-N 2.9Å; G243-H246 PolarHBondContact O-N 2.81Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 3.1Å; H246-A248 VanDerWaalsContact C-N 3.33Å; H246-A248 PolarHBondContact O-N 3.29Å; H246-L249 PolarHBondContact O-N 3.36Å; H246-V250 WeakPolarHBondContact O-CB 3.24Å; H246-V250 VanDerWaalsContact O-CG2 3.26Å; H246-V250 WeakPolarHBondContact O-CG2 3.49Å; H246-V250 PolarHBondContact O-N 3.45Å |
| 247 | A | 64.5 | Low | 66.1 | Low | 57 Ų | 57 | 83.4 Ų | 83.4 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G243 L244 V250 K251 | G243-A247 WeakPolarHBondContact O-CB 3.46Å; G243-A247 PolarHBondContact O-N 3.5Å; L244-A247 PolarHBondContact O-N 3.27Å; A247-V250 PolarHBondContact O-N 2.72Å; A247-K251 VanDerWaalsContact O-CB 3.31Å; A247-K251 WeakPolarHBondContact O-CB 3.28Å; A247-K251 PolarHBondContact O-N 2.81Å |
| 248 | A | 67.9 | Low | 65 | Low | 44 Ų | 44 | 86.9 Ų | 86.9 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L244 V245 H246 V250 K251 I252 | L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 3.44Å; V245-A248 PolarHBondContact O-N 3.39Å; H246-A248 VanDerWaalsContact C-N 3.33Å; H246-A248 PolarHBondContact O-N 3.29Å; A248-V250 VanDerWaalsContact C-N 3.31Å; A248-V250 PolarHBondContact O-N 2.94Å; A248-K251 WeakPolarHBondContact O-CB 3.48Å; A248-K251 PolarHBondContact O-N 3.41Å; A248-K251 VanDerWaalsContact O-N 3.09Å; A248-I252 WeakPolarHBondContact O-CD1 3.19Å; A248-I252 WeakPolarHBondContact O-CG1 3.44Å; A248-I252 PolarHBondContact O-N 2.85Å |
| 249 | L | 66.5 | Low | 63.6 | Low | 26 Ų | 26 | 92.4 Ų | 92.4 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 177.2 | -75.2 | 158.6 | 0 | 0 | 0 | 112.9 | V205 V245 H246 K253 V254 C255 | V205-L249 HydrophobicContact CB-CD1 4.46Å; V205-L249 HydrophobicContact CG1-CD1 3.97Å; V205-L249 HydrophobicContact CG1-CD2 4.09Å; V205-L249 HydrophobicContact CG2-CD1 3.55Å; V245-L249 HydrophobicContact CG1-CD1 3.62Å; V245-L249 HydrophobicContact CG1-CG 4.4Å; V245-L249 WeakPolarHBondContact O-CB 3.47Å; V245-L249 VanDerWaalsContact O-CD1 3.32Å; V245-L249 WeakPolarHBondContact O-CD1 3.29Å; V245-L249 VanDerWaalsContact O-CG 3.23Å; V245-L249 WeakPolarHBondContact O-CG 2.97Å; V245-L249 PolarHBondContact O-N 3.5Å; H246-L249 PolarHBondContact O-N 3.36Å; L249-K253 PolarHBondContact O-N 3.12Å; L249-V254 HydrophobicContact CD2-CB 4.27Å; L249-V254 HydrophobicContact CD2-CG1 3.89Å; L249-V254 PolarHBondContact O-N 2.81Å; L249-V254 VanDerWaalsContact O-N 3.15Å; L249-C255 HydrophobicContact CB-CB 4.47Å; L249-C255 PolarHBondContact O-N 3.16Å; L249-C255 VanDerWaalsContact O-N 3.14Å |
| 250 | V | 66.8 | Low | 62.5 | Low | 37 Ų | 37 | 98.4 Ų | 98.4 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 173.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | H246 A247 A248 K253 C255 K257 | H246-V250 WeakPolarHBondContact O-CB 3.24Å; H246-V250 VanDerWaalsContact O-CG2 3.26Å; H246-V250 WeakPolarHBondContact O-CG2 3.49Å; H246-V250 PolarHBondContact O-N 3.45Å; A247-V250 PolarHBondContact O-N 2.72Å; A248-V250 VanDerWaalsContact C-N 3.31Å; A248-V250 PolarHBondContact O-N 2.94Å; V250-K253 PolarHBondContact O-N 2.89Å; V250-K253 VanDerWaalsContact O-N 3.1Å; V250-C255 HydrophobicContact CG2-CB 4.1Å; V250-K257 HydrophobicContact CG1-CG 4.24Å |
| 251 | K | 65 | Low | 61.2 | Low | 185 Ų | 185 | 103.8 Ų | 103.8 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -35.8 | 178.3 | -169.3 | 174.6 | -178.2 | 179.8 | 0 | 112.4 | A247 A248 K253 | A247-K251 VanDerWaalsContact O-CB 3.31Å; A247-K251 WeakPolarHBondContact O-CB 3.28Å; A247-K251 PolarHBondContact O-N 2.81Å; A248-K251 WeakPolarHBondContact O-CB 3.48Å; A248-K251 PolarHBondContact O-N 3.41Å; A248-K251 VanDerWaalsContact O-N 3.09Å; K251-K253 PolarHBondContact O-N 3.45Å |
| 252 | I | 66.9 | Low | 59.9 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.4 | 175.9 | -55.3 | 161.2 | 0 | 0 | 0 | 110.9 | A248 V254 | A248-I252 WeakPolarHBondContact O-CD1 3.19Å; A248-I252 WeakPolarHBondContact O-CG1 3.44Å; A248-I252 PolarHBondContact O-N 2.85Å; I252-V254 HydrophobicContact CB-CG2 4.08Å; I252-V254 HydrophobicContact CG2-CG2 3.66Å; I252-V254 PolarHBondContact O-N 3.36Å |
| 253 | K | 59.8 | Low | 58.6 | Low | 185 Ų | 185 | 111.4 Ų | 111.4 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 12.8 | -176.1 | -65.8 | 179 | 175.6 | 167.8 | 0 | 114.5 | L249 V250 K251 C255 | L249-K253 PolarHBondContact O-N 3.12Å; V250-K253 PolarHBondContact O-N 2.89Å; V250-K253 VanDerWaalsContact O-N 3.1Å; K251-K253 PolarHBondContact O-N 3.45Å; K253-C255 VanDerWaalsContact C-N 3.32Å |
| 254 | V | 58.6 | Low | 57.6 | Low | 61 Ų | 61 | 115.9 Ų | 115.9 | 37% | 0.37 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -67.8 | -39 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 108.7 | Y210 L249 I252 | Y210-V254 HydrophobicContact CE2-CG1 4.22Å; Y210-V254 WeakPolarHBondContact OH-CG1 3.37Å; Y210-V254 PolarHBondContact OH-O 2.74Å; L249-V254 HydrophobicContact CD2-CB 4.27Å; L249-V254 HydrophobicContact CD2-CG1 3.89Å; L249-V254 PolarHBondContact O-N 2.81Å; L249-V254 VanDerWaalsContact O-N 3.15Å; I252-V254 HydrophobicContact CB-CG2 4.08Å; I252-V254 HydrophobicContact CG2-CG2 3.66Å; I252-V254 PolarHBondContact O-N 3.36Å |
| 255 | C | 54 | Low | 56.5 | Low | 6 Ų | 6 | 113.8 Ų | 113.8 | 4% | 0.041 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -99.2 | 119.6 | 169.2 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | F209 L249 V250 K253 K257 | F209-C255 HydrophobicContact CD1-CB 4.32Å; F209-C255 VanDerWaalsContact CD2-SG 3.54Å; F209-C255 WeakPolarHBondContact CG-SG 3.34Å; L249-C255 HydrophobicContact CB-CB 4.47Å; L249-C255 PolarHBondContact O-N 3.16Å; L249-C255 VanDerWaalsContact O-N 3.14Å; V250-C255 HydrophobicContact CG2-CB 4.1Å; K253-C255 VanDerWaalsContact C-N 3.32Å; C255-K257 PolarHBondContact O-N 3.04Å |
| 256 | R | 51.6 | Low | 55.2 | Low | 224 Ų | 224 | 114.4 Ų | 114.4 | 85% | 0.845 | 58% | 0.58 | S | S | * | * | trans | -63.6 | 130.9 | 163.3 | -77.3 | -174.5 | 175.9 | -171.8 | -1.3 | 107.6 | M258 | R256-M258 HydrophobicContact CB-CG 4.39Å; R256-M258 PolarHBondContact O-N 3.16Å | ||
| 257 | K | 44.9 | Very low | 54 | Low | 182 Ų | 182 | 117.6 Ų | 117.6 | 79% | 0.791 | 61% | 0.607 | S | S | * | * | trans | -59.1 | 87.8 | 164.6 | -120.4 | -178.6 | -178.7 | -177 | 0 | 106.8 | V250 C255 V259 | V250-K257 HydrophobicContact CG1-CG 4.24Å; C255-K257 PolarHBondContact O-N 3.04Å; K257-V259 PolarHBondContact O-N 3.07Å; K257-V259 VanDerWaalsContact O-N 3.16Å | ||
| 258 | M | 46.3 | Very low | 53 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | trans | -74.3 | 112.2 | 179.1 | -73.4 | -168.8 | 70 | 0 | 0 | 106.9 | R256 K260 | R256-M258 HydrophobicContact CB-CG 4.39Å; R256-M258 PolarHBondContact O-N 3.16Å; M258-K260 PolarHBondContact O-N 3.08Å | ||
| 259 | V | 46 | Very low | 51.9 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | trans | -50.2 | 113.8 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | K257 R261 | K257-V259 PolarHBondContact O-N 3.07Å; K257-V259 VanDerWaalsContact O-N 3.16Å; V259-R261 VanDerWaalsContact C-N 3.3Å; V259-R261 PolarHBondContact O-N 2.83Å | ||
| 260 | K | 48.2 | Very low | 51 | Low | 157 Ų | 157 | 126 Ų | 126 | 68% | 0.683 | 65% | 0.653 | S | S | * | * | trans | -54.5 | 103.6 | 165.7 | -76.6 | -176.1 | 175 | -177.7 | 0 | 105.5 | M258 Y262 | M258-K260 PolarHBondContact O-N 3.08Å; K260-Y262 HydrophobicContact CB-CD2 3.85Å; K260-Y262 HydrophobicContact CB-CE2 3.55Å; K260-Y262 HydrophobicContact CD-CE2 3.8Å; K260-Y262 HydrophobicContact CG-CE2 4.33Å; K260-Y262 WeakPolarHBondContact O-CD2 3.48Å; K260-Y262 PolarHBondContact O-N 2.89Å | ||
| 261 | R | 44.3 | Very low | 50.3 | Low | 240 Ų | 240 | 130.8 Ų | 130.8 | 91% | 0.906 | 68% | 0.683 | S | S | * | * | trans | -69.1 | 92.1 | 166.7 | -81.7 | -170.5 | -180 | 159.8 | -1.6 | 105.2 | V259 D263 | V259-R261 VanDerWaalsContact C-N 3.3Å; V259-R261 PolarHBondContact O-N 2.83Å; R261-D263 PolarHBondContact O-N 3.08Å | ||
| 262 | Y | 47.2 | Very low | 49.6 | Very low | 131 Ų | 131 | 127 Ų | 127 | 51% | 0.514 | 67% | 0.67 | S | S | . | * | trans | -66.5 | 112.7 | 159.4 | -75.3 | -88.9 | 0 | 0 | 0 | 105.4 | K260 V264 I270 | K260-Y262 HydrophobicContact CB-CD2 3.85Å; K260-Y262 HydrophobicContact CB-CE2 3.55Å; K260-Y262 HydrophobicContact CD-CE2 3.8Å; K260-Y262 HydrophobicContact CG-CE2 4.33Å; K260-Y262 WeakPolarHBondContact O-CD2 3.48Å; K260-Y262 PolarHBondContact O-N 2.89Å; Y262-V264 PolarHBondContact O-N 3.25Å; Y262-V264 VanDerWaalsContact O-N 3.08Å; Y262-I270 HydrophobicContact CE1-CD1 4.44Å | ||
| 263 | D | 44.2 | Very low | 48.6 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 67% | 0.672 | S | S | * | * | trans | -66 | 106.8 | 170.3 | -154.5 | -8.9 | 0 | 0 | 0 | 106.3 | R261 G265 | R261-D263 PolarHBondContact O-N 3.08Å; D263-G265 PolarHBondContact O-N 3.16Å | ||
| 264 | V | 49.8 | Very low | 48.2 | Very low | 134 Ų | 134 | 122 Ų | 122 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 15.6 | -178.2 | -75.4 | 0 | 0 | 0 | 0 | 112.5 | Y262 | Y262-V264 PolarHBondContact O-N 3.25Å; Y262-V264 VanDerWaalsContact O-N 3.08Å |
| 265 | G | 51.3 | Low | 47.4 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -5.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D263 | D263-G265 PolarHBondContact O-N 3.16Š|
| 266 | A | 44.5 | Very low | 47.5 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 51% | 0.512 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -115.1 | 137 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S268 | A266-S268 PolarHBondContact O-N 2.96Š|
| 267 | P | 44.9 | Very low | 47.8 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | trans | -78.1 | 68.4 | -177.1 | 34.8 | -34.4 | 0 | 0 | 0 | 109.6 | ||||
| 268 | S | 44.1 | Very low | 48.3 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | trans | -93.1 | 125.7 | 164.8 | 48.9 | 0 | 0 | 0 | 0 | 108.6 | A266 I270 | A266-S268 PolarHBondContact O-N 2.96Å; S268-I270 PolarHBondContact O-N 3.17Å | ||
| 269 | S | 44.3 | Very low | 49 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -64.4 | 38.1 | -172.3 | 51.9 | 0 | 0 | 0 | 0 | 116 | T271 | S269-T271 PolarHBondContact O-N 2.78Š| ||
| 270 | I | 49.1 | Very low | 49.7 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 53% | 0.533 | 68% | 0.681 | S | S | . | * | trans | -92.9 | 94.4 | 174.9 | -56.2 | 175.7 | 0 | 0 | 0 | 107.4 | Y262 S268 I272 | Y262-I270 HydrophobicContact CE1-CD1 4.44Å; S268-I270 PolarHBondContact O-N 3.17Å; I270-I272 VanDerWaalsContact C-N 3.33Å; I270-I272 HydrophobicContact CG2-CG1 3.88Å; I270-I272 PolarHBondContact O-N 3.37Å | ||
| 271 | T | 50.3 | Low | 50.6 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | trans | -66.4 | 90.3 | 167.7 | 23.5 | 0 | 0 | 0 | 0 | 109.3 | S269 S273 | S269-T271 PolarHBondContact O-N 2.78Å; T271-S273 PolarHBondContact O-N 3.14Å; T271-S273 VanDerWaalsContact O-N 3.16Å | ||
| 272 | I | 51.8 | Low | 51.8 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 53% | 0.533 | 64% | 0.639 | S | S | . | * | trans | -77 | 97.8 | 169.9 | -56.2 | 178.6 | 0 | 0 | 0 | 107.5 | I270 L274 | I270-I272 VanDerWaalsContact C-N 3.33Å; I270-I272 HydrophobicContact CG2-CG1 3.88Å; I270-I272 PolarHBondContact O-N 3.37Å; I272-L274 HydrophobicContact CG2-CD1 3.96Å; I272-L274 PolarHBondContact O-N 3.07Å; I272-L274 VanDerWaalsContact O-N 3.17Å | ||
| 273 | S | 46.1 | Very low | 53.2 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | trans | -72 | 100.9 | 165.2 | 42.9 | 0 | 0 | 0 | 0 | 108.8 | T271 P275 | T271-S273 PolarHBondContact O-N 3.14Å; T271-S273 VanDerWaalsContact O-N 3.16Å; S273-P275 WeakPolarHBondContact O-CD 3.46Å | ||
| 274 | L | 49.7 | Very low | 54.7 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 63% | 0.626 | S | S | . | * | trans | -62.7 | 125.4 | 166.5 | -90.3 | 76.6 | 0 | 0 | 0 | 108.4 | I272 G276 T277 | I272-L274 HydrophobicContact CG2-CD1 3.96Å; I272-L274 PolarHBondContact O-N 3.07Å; I272-L274 VanDerWaalsContact O-N 3.17Å; L274-G276 PolarHBondContact O-N 2.97Å; L274-T277 WeakPolarHBondContact CB-OG1 3.41Å; L274-T277 PolarHBondContact O-N 2.79Å; L274-T277 VanDerWaalsContact O-N 3.14Å | ||
| 275 | P | 43.6 | Very low | 55.9 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 92% | 0.916 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 115.6 | 172.7 | -18.2 | 30.1 | 0 | 0 | 0 | 109.1 | S273 | S273-P275 WeakPolarHBondContact O-CD 3.46Š|
| 276 | G | 55.7 | Low | 57.3 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 88% | 0.876 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.2 | 1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | L274 | L274-G276 PolarHBondContact O-N 2.97Š|
| 277 | T | 56.4 | Low | 59.1 | Low | 58 Ų | 58 | 109.8 Ų | 109.8 | 36% | 0.356 | 61% | 0.612 | S | S | . | * | trans | -120.6 | 95.9 | 164.8 | -1 | 0 | 0 | 0 | 0 | 107.2 | L274 | L274-T277 WeakPolarHBondContact CB-OG1 3.41Å; L274-T277 PolarHBondContact O-N 2.79Å; L274-T277 VanDerWaalsContact O-N 3.14Å | ||
| 278 | D | 55.7 | Low | 60.9 | Low | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 60% | 0.596 | S | S | . | * | trans | -58.2 | 126.9 | 176.2 | -155.1 | -36.2 | 0 | 0 | 0 | 107.9 | Q280 D281 A282 | D278-Q280 PolarHBondContact O-N 3.5Å; D278-Q280 PolarHBondContact OD1-N 3.49Å; D278-D281 HydrophobicContact CB-CB 4.45Å; D278-D281 PolarHBondContact O-N 3.2Å; D278-A282 PolarHBondContact O-N 2.87Å | ||
| 279 | P | 62.4 | Low | 62.9 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -50.6 | -27.5 | 176.4 | 18.3 | -33.4 | 0 | 0 | 0 | 112.7 | A282 E283 | P279-A282 PolarHBondContact O-N 3.08Å; P279-E283 WeakPolarHBondContact O-CB 3.48Å; P279-E283 PolarHBondContact O-N 2.99Å |
| 280 | Q | 61 | Low | 64.7 | Low | 147 Ų | 147 | 106.5 Ų | 106.5 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.1 | -37.4 | 174.8 | -62.7 | -174.7 | -17.9 | 0 | 0 | 113.2 | D278 E283 R284 | D278-Q280 PolarHBondContact O-N 3.5Å; D278-Q280 PolarHBondContact OD1-N 3.49Å; Q280-E283 PolarHBondContact O-N 3.05Å; Q280-R284 WeakPolarHBondContact O-CB 3.35Å; Q280-R284 PolarHBondContact O-N 3.01Å |
| 281 | D | 65.9 | Low | 66.4 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.2 | -34.3 | 176.9 | -86.2 | -19.5 | 0 | 0 | 0 | 112 | D278 E283 R285 | D278-D281 HydrophobicContact CB-CB 4.45Å; D278-D281 PolarHBondContact O-N 3.2Å; D281-E283 VanDerWaalsContact C-N 3.34Å; D281-R285 WeakPolarHBondContact O-CB 3.35Å; D281-R285 VanDerWaalsContact O-CG 3.25Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 2.99Å |
| 282 | A | 70.8 | Confident | 68.1 | Low | 35 Ų | 35 | 104.4 Ų | 104.4 | 29% | 0.289 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -42.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | D278 P279 R285 R286 | D278-A282 PolarHBondContact O-N 2.87Å; P279-A282 PolarHBondContact O-N 3.08Å; A282-R285 PolarHBondContact O-N 3.42Å; A282-R286 WeakPolarHBondContact O-CG 3.25Å; A282-R286 PolarHBondContact O-N 3.44Å |
| 283 | E | 75.8 | Confident | 69.5 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 39% | 0.393 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.5 | -39.2 | 178.2 | -157.5 | 57.2 | -145.5 | 0 | 0 | 112 | P279 Q280 D281 R285 R286 Q287 | P279-E283 WeakPolarHBondContact O-CB 3.48Å; P279-E283 PolarHBondContact O-N 2.99Å; Q280-E283 PolarHBondContact O-N 3.05Å; D281-E283 VanDerWaalsContact C-N 3.34Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 2.9Å; E283-R286 WeakPolarHBondContact O-CB 3.36Å; E283-R286 PolarHBondContact O-N 3Å; E283-R286 IonicContact OE2-NH1 2.64Å; E283-R286 PolarHBondContact OE2-NH1 3.23Å; E283-R286 VanDerWaalsContact OE2-NH1 3.08Å; E283-Q287 WeakPolarHBondContact O-CG 3.44Å; E283-Q287 PolarHBondContact O-N 3.22Å |
| 284 | R | 75.8 | Confident | 71.3 | Confident | 169 Ų | 169 | 104.7 Ų | 104.7 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.6 | -41.4 | 173.2 | -168.6 | 179.7 | -176.6 | -170.8 | 2.3 | 112.2 | Q280 Q287 L288 | Q280-R284 WeakPolarHBondContact O-CB 3.35Å; Q280-R284 PolarHBondContact O-N 3.01Å; R284-Q287 PolarHBondContact O-N 3.44Å; R284-L288 PolarHBondContact O-N 3.06Å |
| 285 | R | 75 | Confident | 73 | Confident | 168 Ų | 168 | 104.4 Ų | 104.4 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 175.5 | -72.9 | 174.6 | -171.5 | -176.8 | 4.9 | 112.2 | D281 A282 E283 L288 A289 | D281-R285 WeakPolarHBondContact O-CB 3.35Å; D281-R285 VanDerWaalsContact O-CG 3.25Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 2.99Å; A282-R285 PolarHBondContact O-N 3.42Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 2.9Å; R285-L288 PolarHBondContact O-N 2.92Å; R285-A289 WeakPolarHBondContact O-CB 3.4Å; R285-A289 PolarHBondContact O-N 2.88Å |
| 286 | R | 79.9 | Confident | 74.6 | Confident | 155 Ų | 155 | 106.6 Ų | 106.6 | 59% | 0.585 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 173.5 | -76.1 | 174.1 | 179.7 | 162.7 | -2.9 | 111.9 | A282 E283 A289 L290 | A282-R286 WeakPolarHBondContact O-CG 3.25Å; A282-R286 PolarHBondContact O-N 3.44Å; E283-R286 WeakPolarHBondContact O-CB 3.36Å; E283-R286 PolarHBondContact O-N 3Å; E283-R286 IonicContact OE2-NH1 2.64Å; E283-R286 PolarHBondContact OE2-NH1 3.23Å; E283-R286 VanDerWaalsContact OE2-NH1 3.08Å; R286-A289 PolarHBondContact O-N 3.43Å; R286-L290 WeakPolarHBondContact O-CG 3.36Å; R286-L290 PolarHBondContact O-N 2.89Å |
| 287 | Q | 83.5 | Confident | 75.7 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 178.2 | -70.6 | 175.4 | 5.4 | 0 | 0 | 112.5 | E283 R284 L290 K291 | E283-Q287 WeakPolarHBondContact O-CG 3.44Å; E283-Q287 PolarHBondContact O-N 3.22Å; R284-Q287 PolarHBondContact O-N 3.44Å; Q287-L290 PolarHBondContact O-N 2.86Å; Q287-K291 WeakPolarHBondContact O-CB 3.45Å; Q287-K291 PolarHBondContact O-N 3.48Å |
| 288 | L | 82.8 | Confident | 76.6 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 172.5 | -84.9 | 159.5 | 0 | 0 | 0 | 112 | R284 R285 K291 A292 | R284-L288 PolarHBondContact O-N 3.06Å; R285-L288 PolarHBondContact O-N 2.92Å; L288-K291 PolarHBondContact O-N 3.46Å; L288-A292 WeakPolarHBondContact O-CB 3.36Å; L288-A292 PolarHBondContact O-N 3.38Å |
| 289 | A | 85.3 | Confident | 77.5 | Confident | 60 Ų | 60 | 114.1 Ų | 114.1 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R285 R286 K291 A292 L293 | R285-A289 WeakPolarHBondContact O-CB 3.4Å; R285-A289 PolarHBondContact O-N 2.88Å; R286-A289 PolarHBondContact O-N 3.43Å; A289-K291 VanDerWaalsContact C-N 3.34Å; A289-A292 PolarHBondContact O-N 3.37Å; A289-L293 WeakPolarHBondContact O-CB 3.41Å; A289-L293 PolarHBondContact O-N 2.88Å |
| 290 | L | 81.9 | Confident | 78 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 174.9 | -73.3 | 172.1 | 0 | 0 | 0 | 111.8 | R286 Q287 L293 N294 | R286-L290 WeakPolarHBondContact O-CG 3.36Å; R286-L290 PolarHBondContact O-N 2.89Å; Q287-L290 PolarHBondContact O-N 2.86Å; L290-L293 PolarHBondContact O-N 3.38Å; L290-N294 WeakPolarHBondContact O-CB 3.33Å; L290-N294 PolarHBondContact O-N 2.88Å |
| 291 | K | 84.5 | Confident | 78.5 | Confident | 150 Ų | 150 | 112.8 Ų | 112.8 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 175.7 | -169.7 | 176.4 | -179.3 | 178.8 | 0 | 111.7 | Q287 L288 A289 L293 N294 E295 | Q287-K291 WeakPolarHBondContact O-CB 3.45Å; Q287-K291 PolarHBondContact O-N 3.48Å; L288-K291 PolarHBondContact O-N 3.46Å; A289-K291 VanDerWaalsContact C-N 3.34Å; K291-L293 VanDerWaalsContact C-N 3.31Å; K291-L293 PolarHBondContact O-N 3.38Å; K291-N294 PolarHBondContact O-N 3.05Å; K291-E295 WeakPolarHBondContact O-CB 3.43Å; K291-E295 PolarHBondContact O-N 3.48Å |
| 292 | A | 85.9 | Confident | 78.5 | Confident | 49 Ų | 49 | 114.2 Ų | 114.2 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L288 A289 R296 | L288-A292 WeakPolarHBondContact O-CB 3.36Å; L288-A292 PolarHBondContact O-N 3.38Å; A289-A292 PolarHBondContact O-N 3.37Å; A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 3.42Å |
| 293 | L | 81.9 | Confident | 78.1 | Confident | 101 Ų | 101 | 120.4 Ų | 120.4 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.7 | -47.1 | 174.4 | -167.7 | 77 | 0 | 0 | 0 | 111.1 | A289 L290 K291 E295 R296 L297 | A289-L293 WeakPolarHBondContact O-CB 3.41Å; A289-L293 PolarHBondContact O-N 2.88Å; L290-L293 PolarHBondContact O-N 3.38Å; K291-L293 VanDerWaalsContact C-N 3.31Å; K291-L293 PolarHBondContact O-N 3.38Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 2.87Å; L293-R296 PolarHBondContact O-N 3.41Å; L293-R296 VanDerWaalsContact O-N 3.17Å; L293-L297 WeakPolarHBondContact O-CB 3.2Å; L293-L297 PolarHBondContact O-N 2.9Å |
| 294 | N | 84.7 | Confident | 77.2 | Confident | 104 Ų | 104 | 119.8 Ų | 119.8 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.1 | -35.5 | 176.6 | -79.9 | -12.8 | 0 | 0 | 0 | 112.1 | L290 K291 L297 K298 | L290-N294 WeakPolarHBondContact O-CB 3.33Å; L290-N294 PolarHBondContact O-N 2.88Å; K291-N294 PolarHBondContact O-N 3.05Å; N294-L297 PolarHBondContact O-N 3.46Å; N294-K298 WeakPolarHBondContact O-CB 3.42Å; N294-K298 PolarHBondContact O-N 3.17Å |
| 295 | E | 84.9 | Confident | 76.2 | Confident | 99 Ų | 99 | 115.1 Ų | 115.1 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -41.2 | 173.9 | -171.4 | -177 | 164.3 | 0 | 0 | 111.5 | K291 L293 R299 | K291-E295 WeakPolarHBondContact O-CB 3.43Å; K291-E295 PolarHBondContact O-N 3.48Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 2.87Å; E295-R299 WeakPolarHBondContact O-CB 3.44Å; E295-R299 WeakPolarHBondContact O-CG 3.34Å; E295-R299 PolarHBondContact O-N 2.79Å; E295-R299 IonicContact OE1-CZ 3.08Å; E295-R299 IonicContact OE1-NE 2.71Å; E295-R299 IonicContact OE1-NH2 3.46Å; E295-R299 PolarHBondContact OE1-NH2 2.71Å |
| 296 | R | 77.4 | Confident | 75.2 | Confident | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 173 | -75.6 | -178.1 | 180 | -170 | -0.5 | 111.9 | A292 L293 K298 R299 V300 | A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 3.42Å; L293-R296 PolarHBondContact O-N 3.41Å; L293-R296 VanDerWaalsContact O-N 3.17Å; R296-K298 VanDerWaalsContact C-N 3.33Å; R296-R299 PolarHBondContact O-N 2.81Å; R296-V300 WeakPolarHBondContact O-CG2 3.38Å; R296-V300 PolarHBondContact O-N 2.85Å |
| 297 | L | 77.5 | Confident | 73.7 | Confident | 105 Ų | 105 | 116.4 Ų | 116.4 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.2 | -42.9 | 179.5 | -155.2 | 124.7 | 0 | 0 | 0 | 110.3 | L293 N294 V300 E301 | L293-L297 WeakPolarHBondContact O-CB 3.2Å; L293-L297 PolarHBondContact O-N 2.9Å; N294-L297 PolarHBondContact O-N 3.46Å; L297-V300 PolarHBondContact O-N 3.23Å; L297-E301 WeakPolarHBondContact O-CB 3.35Å; L297-E301 PolarHBondContact O-N 2.94Å |
| 298 | K | 77 | Confident | 72 | Confident | 127 Ų | 127 | 116.3 Ų | 116.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -39.8 | 173.3 | -170.8 | 177.6 | 179 | -177.5 | 0 | 112.5 | N294 R296 V300 E301 D302 | N294-K298 WeakPolarHBondContact O-CB 3.42Å; N294-K298 PolarHBondContact O-N 3.17Å; R296-K298 VanDerWaalsContact C-N 3.33Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 2.82Å; K298-E301 CarbonylContact O-C 3.5Å; K298-E301 PolarHBondContact O-N 3.2Å; K298-D302 WeakPolarHBondContact O-CB 3.33Å; K298-D302 VanDerWaalsContact O-CG 3.32Å; K298-D302 PolarHBondContact O-N 3.25Å |
| 299 | R | 74.1 | Confident | 69.7 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.7 | -36.5 | 173.2 | -78.3 | -174.9 | -166.2 | 178.2 | 4.6 | 112.5 | E295 R296 Q303 | E295-R299 WeakPolarHBondContact O-CB 3.44Å; E295-R299 WeakPolarHBondContact O-CG 3.34Å; E295-R299 PolarHBondContact O-N 2.79Å; E295-R299 IonicContact OE1-CZ 3.08Å; E295-R299 IonicContact OE1-NE 2.71Å; E295-R299 IonicContact OE1-NH2 3.46Å; E295-R299 PolarHBondContact OE1-NH2 2.71Å; R296-R299 PolarHBondContact O-N 2.81Å; R299-Q303 WeakPolarHBondContact O-CB 3.47Å; R299-Q303 WeakPolarHBondContact O-CG 3.37Å; R299-Q303 PolarHBondContact O-N 3.27Å |
| 300 | V | 73.1 | Confident | 67.6 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.8 | -40.7 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | R296 L297 K298 Q303 S304 | R296-V300 WeakPolarHBondContact O-CG2 3.38Å; R296-V300 PolarHBondContact O-N 2.85Å; L297-V300 PolarHBondContact O-N 3.23Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 2.82Å; V300-Q303 CarbonylContact O-C 3.5Å; V300-Q303 PolarHBondContact O-N 2.75Å; V300-S304 WeakPolarHBondContact O-CB 3.36Å; V300-S304 PolarHBondContact O-N 3.04Å; V300-S304 PolarHBondContact O-OG 3.25Å |
| 301 | E | 70.7 | Confident | 65.6 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 59% | 0.593 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.1 | -42.2 | 176.1 | -159.3 | 169 | -161.2 | 0 | 0 | 111.9 | L297 K298 Q303 S304 A305 | L297-E301 WeakPolarHBondContact O-CB 3.35Å; L297-E301 PolarHBondContact O-N 2.94Å; K298-E301 CarbonylContact O-C 3.5Å; K298-E301 PolarHBondContact O-N 3.2Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 2.62Å; E301-S304 WeakPolarHBondContact O-CA 3.44Å; E301-S304 WeakPolarHBondContact O-CB 3.46Å; E301-S304 PolarHBondContact O-N 2.87Å; E301-A305 PolarHBondContact O-N 3.47Å |
| 302 | D | 66.6 | Low | 63.4 | Low | 106 Ų | 106 | 127 Ų | 127 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.9 | -32.2 | 172.6 | -73.2 | -21.7 | 0 | 0 | 0 | 111.6 | K298 S304 | K298-D302 WeakPolarHBondContact O-CB 3.33Å; K298-D302 VanDerWaalsContact O-CG 3.32Å; K298-D302 PolarHBondContact O-N 3.25Å; D302-S304 VanDerWaalsContact C-N 3.32Å |
| 303 | Q | 61.8 | Low | 61 | Low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.5 | -18.8 | 169.5 | -84.9 | -178.4 | -5.9 | 0 | 0 | 113.4 | R299 V300 E301 | R299-Q303 WeakPolarHBondContact O-CB 3.47Å; R299-Q303 WeakPolarHBondContact O-CG 3.37Å; R299-Q303 PolarHBondContact O-N 3.27Å; V300-Q303 CarbonylContact O-C 3.5Å; V300-Q303 PolarHBondContact O-N 2.75Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 2.62Å |
| 304 | S | 56.9 | Low | 58.8 | Low | 72 Ų | 72 | 137.1 Ų | 137.1 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -86.5 | -10.7 | 177.5 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | V300 E301 D302 W306 | V300-S304 WeakPolarHBondContact O-CB 3.36Å; V300-S304 PolarHBondContact O-N 3.04Å; V300-S304 PolarHBondContact O-OG 3.25Å; E301-S304 WeakPolarHBondContact O-CA 3.44Å; E301-S304 WeakPolarHBondContact O-CB 3.46Å; E301-S304 PolarHBondContact O-N 2.87Å; D302-S304 VanDerWaalsContact C-N 3.32Å; S304-W306 VanDerWaalsContact C-N 3.27Å; S304-W306 PolarHBondContact O-N 3.02Å |
| 305 | A | 55.6 | Low | 56.3 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -78.2 | 79.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | E301 | E301-A305 PolarHBondContact O-N 3.47Š|
| 306 | W | 52.3 | Low | 53.9 | Low | 228 Ų | 228 | 140.1 Ų | 140.1 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -51.1 | 127 | 173.3 | -75.7 | 84.2 | 0 | 0 | 0 | 110.9 | S304 S308 | S304-W306 VanDerWaalsContact C-N 3.27Å; S304-W306 PolarHBondContact O-N 3.02Å; W306-S308 PolarHBondContact O-N 3.46Å | ||
| 307 | P | 49.5 | Very low | 51.7 | Low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -63.9 | 119.4 | 170 | -16.7 | 29.8 | 0 | 0 | 0 | 109.5 | M309 | P307-M309 PolarHBondContact O-N 3.25Š| ||
| 308 | S | 46.8 | Very low | 49.6 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | -77.4 | 110.7 | 160.3 | 57.6 | 0 | 0 | 0 | 0 | 108.2 | W306 | W306-S308 PolarHBondContact O-N 3.46Š| ||
| 309 | M | 36 | Very low | 47.6 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | trans | -179.4 | 120.4 | 140 | -103.3 | 175.6 | 92.3 | 0 | 0 | 109.9 | P307 | P307-M309 PolarHBondContact O-N 3.25Š| ||
| 310 | D | 40.2 | Very low | 45.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 70.5 | 114.2 | 131.8 | -54 | -16 | 0 | 0 | 0 | 119.2 | E312 | D310-E312 PolarHBondContact O-N 3.45Š| ||
| 311 | D | 40.4 | Very low | 43.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -57.7 | 120.9 | 169.1 | -54.2 | -59.3 | 0 | 0 | 0 | 110.4 | ||||
| 312 | E | 38.5 | Very low | 41.8 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -124 | 105.9 | 156.2 | -75.6 | -174 | 162.1 | 0 | 0 | 107.5 | D310 | D310-E312 PolarHBondContact O-N 3.45Š| ||
| 313 | E | 35.1 | Very low | 40 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -70 | 144.1 | 175.6 | -72 | 176.3 | 159.8 | 0 | 0 | 111.6 | ||||
| 314 | E | 35.5 | Very low | 38.6 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -8.4 | 170.8 | 163.3 | -65.7 | 174.6 | 149.1 | 0 | 0 | 123 | ||||
| 315 | D | 32.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 104 | 132.5 | 161.7 | -54.6 | -14.6 | 0 | 0 | 0 | 113.9 | ||||
| 316 | D | 33 | Very low | 37.2 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | cis | -173.5 | 165.9 | -11 | -119.5 | -29.2 | 0 | 0 | 0 | 105.5 | ||||
| 317 | D | 31.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | 74.7 | 127.7 | 148.6 | -63.9 | -32.2 | 0 | 0 | 0 | 125.5 | ||||
| 318 | D | 33.5 | Very low | 35.5 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 95.8 | 128.6 | 128.9 | -79.2 | -37.2 | 0 | 0 | 0 | 126.2 | |||||
| 319 | E | 34.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 67.8 | 113.6 | 141.5 | -70.6 | -160.3 | 115 | 0 | 0 | 126.4 | ||||
| 320 | V | 33.2 | Very low | 35.1 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | 61.3 | 126.5 | 117.3 | -174.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 321 | R | 33.4 | Very low | 34.8 | Very low | 221 Ų | 221 | 143.8 Ų | 143.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 103.6 | 114.8 | 140.2 | -109 | -173.4 | 155.8 | 130.3 | -5.8 | 123 | ||||
| 322 | T | 30.3 | Very low | 34.4 | Very low | 102 Ų | 102 | 144 Ų | 144 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | 57.2 | 129.8 | 129.8 | 50.3 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 323 | D | 29.8 | Very low | 34.1 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 62.5 | 121.4 | 139.2 | -68.5 | -23.9 | 0 | 0 | 0 | 120.7 | ||||
| 324 | S | 31.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 158.1 | 119 | 112.3 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 325 | Q | 32.5 | Very low | 33.6 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -70.3 | 178.1 | 149.1 | -117.8 | -178.9 | 16.2 | 0 | 0 | 109.1 | ||||
| 326 | P | 50.3 | Low | 33.5 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | cis | -137.9 | -177.3 | -5.6 | 32.3 | -9.9 | 0 | 0 | 0 | 113.4 | ||||
| 327 | L | 30.7 | Very low | 33.3 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | 166.9 | 119.7 | 129.9 | -93.2 | 144.2 | 0 | 0 | 0 | 112.8 | |||||
| 328 | L | 36.3 | Very low | 33.1 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -86.5 | 162.2 | 152.7 | -67.6 | 167.7 | 0 | 0 | 0 | 107.9 | ||||
| 329 | P | 45 | Very low | 32.8 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | -159.3 | 169.8 | 79.6 | 38.5 | -16 | 0 | 0 | 0 | 118.6 | |||||
| 330 | G | 28.6 | Very low | 32.5 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 102 | 121.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 331 | G | 33.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 98.8 | 103.9 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | H | 32.7 | Very low | 32.1 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | 173.9 | 114.6 | 151.8 | -110.3 | -93.3 | 0 | 0 | 0 | 107.8 | ||||
| 333 | D | 32.5 | Very low | 32 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | 68.2 | 137.1 | 83 | -70.1 | -14.1 | 0 | 0 | 0 | 112.5 | |||||
| 334 | T | 30.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | cis | -170.3 | 174.5 | 35 | -0.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 335 | S | 29.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -80.9 | 175.6 | -163.4 | 53.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 336 | S | 29.9 | Very low | 32.3 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 88.5 | 151.1 | 143.5 | 83.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 337 | S | 28.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -174.2 | 166.4 | -14.1 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 338 | A | 28.4 | Very low | 31.1 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 108.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 339 | Q | 27.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 51 | 120.9 | 115 | -159.6 | 175.4 | 3.3 | 0 | 0 | 120.8 | |||||
| 340 | R | 28.1 | Very low | 30 | Very low | 236 Ų | 236 | 116.6 Ų | 116.6 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | 178.2 | 155.6 | 118.8 | -97.8 | 172.6 | -156.5 | -123.7 | 3.8 | 114.5 | |||||
| 341 | T | 28.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 155.9 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 342 | S | 29.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | 159.2 | 140.3 | 118.3 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 343 | G | 28 | Very low | 29.5 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | 105.1 | 111.8 | 137 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 344 | G | 23.5 | Very low | 29.3 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -81.4 | -153.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 345 | P | 47.9 | Very low | 29.8 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -138 | -168.3 | -9.7 | 31.7 | -7.7 | 0 | 0 | 0 | 113.7 | ||||
| 346 | S | 28.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 116 Ų | 116 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 111 | 139.3 | 140.6 | -46.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 347 | G | 28.4 | Very low | 29.7 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 108.9 | 95.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 348 | A | 28.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 54.6 | 120.5 | 80.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 349 | S | 27.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | 165.5 | 157 | 65.8 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 350 | L | 30 | Very low | 29.9 | Very low | 152 Ų | 152 | 116.2 Ų | 116.2 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 68.8 | 109.5 | 144.2 | -63.9 | 154.9 | 0 | 0 | 0 | 118.9 | ||||
| 351 | S | 26.9 | Very low | 29.8 | Very low | 95 Ų | 95 | 110.3 Ų | 110.3 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 72.4 | 118.9 | 73.1 | 77.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 352 | S | 28.7 | Very low | 29.7 | Very low | 108 Ų | 108 | 108.6 Ų | 108.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 173 | 108 | 136.7 | 37.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 353 | T | 28.4 | Very low | 29.6 | Very low | 137 Ų | 137 | 106.7 Ų | 106.7 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | 69.8 | 112 | 102.2 | 21.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 354 | S | 28.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 110 Ų | 110 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -37.8 | -177.7 | 148.9 | -35.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 355 | P | 43.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -150.4 | -174.4 | 17.2 | 35.2 | -10.1 | 0 | 0 | 0 | 118 | ||||
| 356 | S | 28.4 | Very low | 29 | Very low | 106 Ų | 106 | 111 Ų | 111 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 72.1 | 145.7 | 143.5 | 55.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 357 | S | 29.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 111 Ų | 111 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -168.9 | 155.7 | 25.8 | 31.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | A | 29.6 | Very low | 29.8 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | 66.3 | 99.9 | 135 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 359 | S | 28.6 | Very low | 29.7 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 14.6 | 132.3 | 114 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 360 | Q | 28.7 | Very low | 30 | Very low | 182 Ų | 182 | 115 Ų | 115 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -176.9 | 114.6 | 131.7 | -99.9 | 169.6 | 55.2 | 0 | 0 | 106.3 | ||||
| 361 | S | 26.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | 65 | 111.4 | 62.1 | 78 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 362 | G | 25.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 109.3 | 132.6 | 137.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 363 | G | 27 | Very low | 30.8 | Very low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 144.2 | 85.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 364 | T | 29.4 | Very low | 30.9 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 144.7 | 164.9 | 42.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 365 | A | 28.9 | Very low | 31.1 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -173.3 | 132.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 366 | S | 28.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -117.9 | -175.2 | 150.8 | -51.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 367 | P | 45.5 | Very low | 31 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -137.5 | 172.7 | -6 | 37.3 | -17.6 | 0 | 0 | 0 | 114.3 | ||||
| 368 | S | 29 | Very low | 31.2 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 173.3 | 134.3 | 154.8 | 27.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 369 | G | 26.3 | Very low | 31.2 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | 115.8 | 86.6 | 22.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 370 | V | 32.7 | Very low | 31.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -150.2 | 131.1 | 165.6 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 371 | Q | 28.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 161.5 | 179.1 | -76.2 | 165.2 | -44.1 | 0 | 0 | 113.2 | ||||
| 372 | H | 32.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | 130.6 | 155.9 | 148.7 | -82.2 | -70.5 | 0 | 0 | 0 | 114 | ||||
| 373 | P | 41 | Very low | 32.6 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -134.1 | -177.9 | -47.6 | 35 | -16.2 | 0 | 0 | 0 | 113.2 | ||||
| 374 | E | 30.4 | Very low | 33 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 173.1 | -179.4 | -70.5 | 179.5 | 103.2 | 0 | 0 | 117.4 | ||||
| 375 | S | 33.8 | Very low | 33.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 90.6 | 131 | 163.7 | 77.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 376 | S | 34.9 | Very low | 34 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | cis | -156.6 | 141.2 | 34.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 377 | I | 32.8 | Very low | 34.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -77.6 | 132.9 | 167.2 | -76.4 | 163.2 | 0 | 0 | 0 | 108.6 | ||||
| 378 | I | 33.6 | Very low | 34.1 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | -127.2 | 108.4 | 159.8 | -59.8 | 179.2 | 0 | 0 | 0 | 107.7 | F380 | I378-F380 HydrophobicContact CG2-CD2 3.93Å; I378-F380 HydrophobicContact CG2-CE2 4.27Å | ||
| 379 | T | 30.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 64% | 0.644 | 82% | 0.82 | S | S | * | * | trans | -93.5 | 131.3 | 167.3 | -43.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 380 | F | 32.7 | Very low | 34.8 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -116.5 | 111.5 | 165.1 | -109.5 | -86.4 | 0 | 0 | 0 | 107.9 | I378 | I378-F380 HydrophobicContact CG2-CD2 3.93Å; I378-F380 HydrophobicContact CG2-CE2 4.27Å | ||
| 381 | E | 33.6 | Very low | 34.9 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -114 | 133 | 172.2 | -150.1 | 171.4 | 144.3 | 0 | 0 | 107.4 | ||||
| 382 | D | 36.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 68.7 | 124 | 153 | -126.1 | -8.8 | 0 | 0 | 0 | 122.4 | ||||
| 383 | A | 35.5 | Very low | 35.5 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -159.7 | 90.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 384 | S | 36.9 | Very low | 35.1 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | trans | 28.8 | 129.2 | 134.9 | -173.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 385 | S | 39.6 | Very low | 35.5 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | -30.1 | 138.9 | 145 | 53.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 386 | R | 40 | Very low | 35.6 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | 155.8 | 128.3 | 145.4 | -91.6 | 176.6 | -176.5 | -166.3 | 1.5 | 104.6 | ||||
| 387 | S | 40.9 | Very low | 35.7 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 100% | 1.336 | 83% | 0.832 | S | S | * | * | cis | -159.2 | 0 | 37.6 | 51.2 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 387 of 387 residues in 60.9 ms
(Link to these results)