| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.1 | Low | 67.1 | Low | 224 Ų | 224 | 127.7 Ų | 127.7 | 100% | 1.103 | 63% | 0.634 | S | S | * | * | 0 | -32.7 | 0 | -75.5 | 178.8 | 157.2 | 0 | 0 | 114.5 | R3 | M1-R3 PolarHBondContact O-N 3.29Š| |||
| 2 | Q | 55.4 | Low | 67.8 | Low | 182 Ų | 182 | 126.5 Ų | 126.5 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -27 | -177.3 | -74.4 | 172.2 | -22.1 | 0 | 0 | 116.1 | P6 | Q2-P6 WeakPolarHBondContact O-CD 3.42Š|
| 3 | R | 58.8 | Low | 68.6 | Low | 241 Ų | 241 | 120 Ų | 120 | 91% | 0.909 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -23.9 | 179.8 | -68.8 | -177.3 | -177.6 | 165.9 | 0.4 | 114.8 | M1 P6 | M1-R3 PolarHBondContact O-N 3.29Å; R3-P6 WeakPolarHBondContact O-CD 3.03Å; R3-P6 WeakPolarHBondContact O-CG 3.39Å |
| 4 | A | 62.6 | Low | 69.5 | Low | 72 Ų | 72 | 115.6 Ų | 115.6 | 60% | 0.595 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.6 | -27.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G7 A8 | A4-G7 PolarHBondContact O-N 3.45Å; A4-A8 PolarHBondContact O-N 3.28Å |
| 5 | L | 62.7 | Low | 70.1 | Confident | 94 Ų | 94 | 110.4 Ų | 110.4 | 49% | 0.492 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.3 | -46.5 | -179.4 | -141.2 | 87.1 | 0 | 0 | 0 | 114.2 | A8 R9 | L5-A8 PolarHBondContact O-N 3.11Å; L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.4Å |
| 6 | P | 70.1 | Confident | 70.7 | Confident | 64 Ų | 64 | 108.7 Ų | 108.7 | 42% | 0.416 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -40.2 | 178.8 | 22.2 | -31.9 | 0 | 0 | 0 | 111.9 | Q2 R3 R9 Q10 | Q2-P6 WeakPolarHBondContact O-CD 3.42Å; R3-P6 WeakPolarHBondContact O-CD 3.03Å; R3-P6 WeakPolarHBondContact O-CG 3.39Å; P6-R9 PolarHBondContact O-N 3.02Å; P6-Q10 WeakPolarHBondContact O-CB 3.18Å; P6-Q10 WeakPolarHBondContact O-CG 3.47Å; P6-Q10 PolarHBondContact O-N 2.98Å |
| 7 | G | 73.7 | Confident | 71.3 | Confident | 23 Ų | 23 | 106.4 Ų | 106.4 | 24% | 0.237 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -61.4 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A4 R9 Q10 H11 | A4-G7 PolarHBondContact O-N 3.45Å; G7-R9 VanDerWaalsContact C-N 3.34Å; G7-R9 PolarHBondContact O-N 3.13Å; G7-Q10 PolarHBondContact O-N 2.93Å; G7-H11 PolarHBondContact O-CD2 2.76Å; G7-H11 PolarHBondContact O-N 3.45Å |
| 8 | A | 71.5 | Confident | 72.1 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.2 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A4 L5 H11 L12 | A4-A8 PolarHBondContact O-N 3.28Å; L5-A8 PolarHBondContact O-N 3.11Å; A8-H11 PolarHBondContact O-N 3.09Å; A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.38Å |
| 9 | R | 75.9 | Confident | 72.9 | Confident | 179 Ų | 179 | 101.1 Ų | 101.1 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.8 | -41.8 | 175.8 | -73.6 | 178.1 | 177.1 | -176.9 | -1.4 | 112.3 | L5 P6 G7 L12 G13 | L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.4Å; P6-R9 PolarHBondContact O-N 3.02Å; G7-R9 VanDerWaalsContact C-N 3.34Å; G7-R9 PolarHBondContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 2.98Å; R9-G13 PolarHBondContact O-N 3.15Å |
| 10 | Q | 78.5 | Confident | 73.8 | Confident | 145 Ų | 145 | 97.3 Ų | 97.3 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 175.9 | -74.4 | 174.3 | -11.7 | 0 | 0 | 111.5 | P6 G7 G13 A14 | P6-Q10 WeakPolarHBondContact O-CB 3.18Å; P6-Q10 WeakPolarHBondContact O-CG 3.47Å; P6-Q10 PolarHBondContact O-N 2.98Å; G7-Q10 PolarHBondContact O-N 2.93Å; Q10-G13 PolarHBondContact O-N 3.02Å; Q10-A14 VanDerWaalsContact O-CB 3.32Å; Q10-A14 WeakPolarHBondContact O-CB 3.39Å; Q10-A14 PolarHBondContact O-N 3.04Å |
| 11 | H | 79 | Confident | 74.7 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | 174.5 | -71.8 | -60.4 | 0 | 0 | 0 | 111.2 | G7 A8 G13 A14 I15 | G7-H11 PolarHBondContact O-CD2 2.76Å; G7-H11 PolarHBondContact O-N 3.45Å; A8-H11 PolarHBondContact O-N 3.09Å; H11-G13 PolarHBondContact O-N 3.03Å; H11-A14 PolarHBondContact O-N 3.24Å; H11-I15 WeakPolarHBondContact O-CB 3.26Å; H11-I15 VanDerWaalsContact O-CD1 3.3Å; H11-I15 WeakPolarHBondContact O-CD1 2.99Å; H11-I15 WeakPolarHBondContact O-CG1 3.38Å; H11-I15 PolarHBondContact O-N 3.25Å |
| 12 | L | 75.7 | Confident | 76.8 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 177.8 | -72.8 | 171 | 0 | 0 | 0 | 112.8 | A8 R9 I15 L16 | A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.38Å; R9-L12 PolarHBondContact O-N 2.98Å; L12-I15 HydrophobicContact CD2-CD1 4.13Å; L12-I15 WeakPolarHBondContact O-CB 3.37Å; L12-I15 PolarHBondContact O-N 2.83Å; L12-L16 PolarHBondContact O-N 3.28Å |
| 13 | G | 77.7 | Confident | 78.7 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R9 Q10 H11 I15 L16 A17 | R9-G13 PolarHBondContact O-N 3.15Å; Q10-G13 PolarHBondContact O-N 3.02Å; H11-G13 PolarHBondContact O-N 3.03Å; G13-I15 VanDerWaalsContact C-N 3.32Å; G13-I15 PolarHBondContact O-N 3.12Å; G13-L16 PolarHBondContact O-N 2.61Å; G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.96Å |
| 14 | A | 80.8 | Confident | 80.4 | Confident | 59 Ų | 59 | 73 Ų | 73 | 49% | 0.488 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q10 H11 A17 S18 | Q10-A14 VanDerWaalsContact O-CB 3.32Å; Q10-A14 WeakPolarHBondContact O-CB 3.39Å; Q10-A14 PolarHBondContact O-N 3.04Å; H11-A14 PolarHBondContact O-N 3.24Å; A14-A17 PolarHBondContact O-N 3.17Å; A14-S18 PolarHBondContact O-N 3.17Å; A14-S18 PolarHBondContact O-OG 3.31Å; A14-S18 VanDerWaalsContact O-OG 3.14Å |
| 15 | I | 79.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 175.6 | -69.6 | 161.1 | 0 | 0 | 0 | 110.8 | H11 L12 G13 S18 A19 V83 R87 | H11-I15 WeakPolarHBondContact O-CB 3.26Å; H11-I15 VanDerWaalsContact O-CD1 3.3Å; H11-I15 WeakPolarHBondContact O-CD1 2.99Å; H11-I15 WeakPolarHBondContact O-CG1 3.38Å; H11-I15 PolarHBondContact O-N 3.25Å; L12-I15 HydrophobicContact CD2-CD1 4.13Å; L12-I15 WeakPolarHBondContact O-CB 3.37Å; L12-I15 PolarHBondContact O-N 2.83Å; G13-I15 VanDerWaalsContact C-N 3.32Å; G13-I15 PolarHBondContact O-N 3.12Å; I15-S18 PolarHBondContact O-OG 3.13Å; I15-A19 PolarHBondContact O-N 2.93Å; I15-V83 HydrophobicContact CG2-CG1 3.69Å; I15-R87 VanDerWaalsContact CA-NH2 3.29Å; I15-R87 VanDerWaalsContact CG2-NE 3.28Å |
| 16 | L | 78.9 | Confident | 83.5 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.7 | -35.2 | -180 | -174.6 | 62.3 | 0 | 0 | 0 | 111.6 | L12 G13 S18 A19 K24 | L12-L16 PolarHBondContact O-N 3.28Å; G13-L16 PolarHBondContact O-N 2.61Å; L16-S18 PolarHBondContact O-N 3.09Å; L16-A19 VanDerWaalsContact O-CB 3.31Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 2.97Å; L16-K24 HydrophobicContact CD1-CG 4.23Å; L16-K24 WeakPolarHBondContact O-CE 3.45Å |
| 17 | A | 80.8 | Confident | 84.7 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G13 A14 A19 K24 | G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.96Å; A14-A17 PolarHBondContact O-N 3.17Å; A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 2.96Å; A17-K24 PolarHBondContact O-NZ 3.49Å |
| 18 | S | 85.5 | Confident | 85.7 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.2 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | A14 I15 L16 | A14-S18 PolarHBondContact O-N 3.17Å; A14-S18 PolarHBondContact O-OG 3.31Å; A14-S18 VanDerWaalsContact O-OG 3.14Å; I15-S18 PolarHBondContact O-OG 3.13Å; L16-S18 PolarHBondContact O-N 3.09Å |
| 19 | A | 87.6 | Confident | 86.9 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -67.3 | 151.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I15 L16 A17 V23 K24 | I15-A19 PolarHBondContact O-N 2.93Å; L16-A19 VanDerWaalsContact O-CB 3.31Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 2.97Å; A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 2.96Å; A19-V23 HydrophobicContact CB-CB 4.2Å; A19-V23 HydrophobicContact CB-CG1 3.92Å; A19-K24 HydrophobicContact CB-CG 4.36Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 3.38Å |
| 20 | S | 91.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 58 Ų | 58 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | -67 | 164.9 | 177.3 | 72.3 | 0 | 0 | 0 | 0 | 113 | V22 V23 K24 E90 | S20-V22 PolarHBondContact O-N 2.96Å; S20-V23 PolarHBondContact O-N 3.17Å; S20-V23 VanDerWaalsContact OG-CG2 3.27Å; S20-V23 WeakPolarHBondContact OG-CG2 3.17Å; S20-V23 PolarHBondContact OG-N 3.4Å; S20-K24 WeakPolarHBondContact O-CB 3.42Å; S20-K24 WeakPolarHBondContact O-CG 3.3Å; S20-K24 PolarHBondContact O-N 2.88Å; S20-E90 WeakPolarHBondContact CB-OE1 3.32Å; S20-E90 WeakPolarHBondContact CB-OE2 3.44Å; S20-E90 PolarHBondContact OG-OE1 2.83Å; S20-E90 VanDerWaalsContact OG-OE1 3.11Å; S20-E90 PolarHBondContact OG-OE2 3.35Å | ||
| 21 | V | 93.2 | Very high | 88.6 | Confident | 123 Ų | 123 | 54.7 Ų | 54.7 | 75% | 0.745 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60 | -37.8 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 111 | K24 A25 | V21-K24 PolarHBondContact O-N 3.31Å; V21-A25 VanDerWaalsContact O-CB 3.24Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.47Å |
| 22 | V | 93.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -49 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | S20 K24 A25 L26 A95 L99 | S20-V22 PolarHBondContact O-N 2.96Å; V22-K24 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 2.84Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CG 3.25Å; V22-L26 PolarHBondContact O-N 2.9Å; V22-A95 HydrophobicContact CG2-CB 3.96Å; V22-L99 HydrophobicContact CG1-CB 4.21Å; V22-L99 HydrophobicContact CG1-CD1 4.16Å |
| 23 | V | 94.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | A19 S20 A25 L26 C27 V82 E90 | A19-V23 HydrophobicContact CB-CB 4.2Å; A19-V23 HydrophobicContact CB-CG1 3.92Å; S20-V23 PolarHBondContact O-N 3.17Å; S20-V23 VanDerWaalsContact OG-CG2 3.27Å; S20-V23 WeakPolarHBondContact OG-CG2 3.17Å; S20-V23 PolarHBondContact OG-N 3.4Å; V23-A25 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 2.71Å; V23-C27 WeakPolarHBondContact O-CB 3.15Å; V23-C27 PolarHBondContact O-N 3.19Å; V23-C27 PolarHBondContact O-SG 3.2Å; V23-V82 HydrophobicContact CG1-CG1 4.12Å; V23-E90 WeakPolarHBondContact CG2-OE2 3.33Å |
| 24 | K | 94.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.3 | -74.1 | 167.8 | 176.7 | 157.7 | 0 | 111.7 | L16 A17 A19 S20 V21 V22 C27 A28 | L16-K24 HydrophobicContact CD1-CG 4.23Å; L16-K24 WeakPolarHBondContact O-CE 3.45Å; A17-K24 PolarHBondContact O-NZ 3.49Å; A19-K24 HydrophobicContact CB-CG 4.36Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 3.38Å; S20-K24 WeakPolarHBondContact O-CB 3.42Å; S20-K24 WeakPolarHBondContact O-CG 3.3Å; S20-K24 PolarHBondContact O-N 2.88Å; V21-K24 PolarHBondContact O-N 3.31Å; V22-K24 PolarHBondContact O-N 3.35Å; K24-C27 PolarHBondContact O-N 3.21Å; K24-A28 VanDerWaalsContact O-CB 3.22Å; K24-A28 WeakPolarHBondContact O-CB 3.4Å; K24-A28 PolarHBondContact O-N 3.05Å |
| 25 | A | 95.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V21 V22 V23 A28 A29 | V21-A25 VanDerWaalsContact O-CB 3.24Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.47Å; V22-A25 PolarHBondContact O-N 2.84Å; V23-A25 PolarHBondContact O-N 3.28Å; A25-A28 PolarHBondContact O-N 2.96Å; A25-A29 VanDerWaalsContact O-CB 3.3Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 3.24Å |
| 26 | L | 95.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.8 | -69 | 173.8 | 0 | 0 | 0 | 111.6 | V22 V23 A28 A29 V30 L67 V82 F102 | V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CG 3.25Å; V22-L26 PolarHBondContact O-N 2.9Å; V23-L26 PolarHBondContact O-N 2.71Å; L26-A28 PolarHBondContact O-N 3.23Å; L26-A29 PolarHBondContact O-N 3.45Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.22Å; L26-L67 HydrophobicContact CD2-CD2 3.97Å; L26-V82 HydrophobicContact CB-CG1 3.78Å; L26-V82 HydrophobicContact CD1-CG1 4.21Å; L26-F102 HydrophobicContact CD1-CD2 4.28Å; L26-F102 HydrophobicContact CD1-CG 4.39Å; L26-F102 HydrophobicContact CD2-CD1 4.04Å; L26-F102 HydrophobicContact CD2-CE1 3.72Å; L26-F102 HydrophobicContact CD2-CE2 4.23Å; L26-F102 HydrophobicContact CD2-CG 4.44Å; L26-F102 HydrophobicContact CD2-CZ 3.84Å |
| 27 | C | 95.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 112 | V23 K24 A29 V30 L31 L79 | V23-C27 WeakPolarHBondContact O-CB 3.15Å; V23-C27 PolarHBondContact O-N 3.19Å; V23-C27 PolarHBondContact O-SG 3.2Å; K24-C27 PolarHBondContact O-N 3.21Å; C27-A29 VanDerWaalsContact C-N 3.34Å; C27-V30 PolarHBondContact O-N 3.08Å; C27-L31 WeakPolarHBondContact O-CG 3.4Å; C27-L31 PolarHBondContact O-N 3.49Å; C27-L79 HydrophobicContact CB-CD2 3.74Å |
| 28 | A | 95.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K24 A25 L26 L31 F32 | K24-A28 VanDerWaalsContact O-CB 3.22Å; K24-A28 WeakPolarHBondContact O-CB 3.4Å; K24-A28 PolarHBondContact O-N 3.05Å; A25-A28 PolarHBondContact O-N 2.96Å; L26-A28 PolarHBondContact O-N 3.23Å; A28-L31 PolarHBondContact O-N 3.03Å; A28-F32 WeakPolarHBondContact O-CB 3.28Å; A28-F32 PolarHBondContact O-N 3.35Å |
| 29 | A | 95.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 24% | 0.24 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A25 L26 C27 F32 L33 L67 | A25-A29 VanDerWaalsContact O-CB 3.3Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 3.24Å; L26-A29 PolarHBondContact O-N 3.45Å; C27-A29 VanDerWaalsContact C-N 3.34Å; A29-F32 PolarHBondContact O-N 3.05Å; A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 VanDerWaalsContact O-CG 3.32Å; A29-L33 WeakPolarHBondContact O-CG 3.19Å; A29-L33 PolarHBondContact O-N 2.88Å; A29-L67 HydrophobicContact CB-CD1 4.15Å; A29-L67 HydrophobicContact CB-CD2 4.37Å |
| 30 | V | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | L26 C27 F32 L33 Y34 L67 E69 V75 S78 | L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.22Å; C27-V30 PolarHBondContact O-N 3.08Å; V30-F32 PolarHBondContact O-N 3.11Å; V30-L33 PolarHBondContact O-N 3.34Å; V30-Y34 VanDerWaalsContact O-CB 3.28Å; V30-Y34 WeakPolarHBondContact O-CB 3.31Å; V30-Y34 PolarHBondContact O-N 3.15Å; V30-L67 HydrophobicContact CG2-CD2 3.89Å; V30-E69 HydrophobicContact CG1-CG 4.24Å; V30-V75 HydrophobicContact CG1-CG1 4.4Å; V30-S78 WeakPolarHBondContact CG1-OG 3.34Å |
| 31 | L | 95.5 | Very high | 93.4 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.5 | -72.6 | 173.3 | 0 | 0 | 0 | 112 | C27 A28 Y34 L35 V75 L79 | C27-L31 WeakPolarHBondContact O-CG 3.4Å; C27-L31 PolarHBondContact O-N 3.49Å; A28-L31 PolarHBondContact O-N 3.03Å; L31-Y34 PolarHBondContact O-N 3.16Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 2.99Å; L31-V75 HydrophobicContact CD2-CG1 4.01Å; L31-L79 HydrophobicContact CD1-CD2 4.43Å; L31-L79 HydrophobicContact CD2-CD1 3.93Å; L31-L79 HydrophobicContact CG-CD1 4.39Å; L31-L79 HydrophobicContact CG-CD2 4.4Å |
| 32 | F | 95.5 | Very high | 93 | Very high | 130 Ų | 130 | 57.3 Ų | 57.3 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 178.7 | 175.4 | -102.4 | 0 | 0 | 0 | 111.7 | A28 A29 V30 Y34 L35 L36 | A28-F32 WeakPolarHBondContact O-CB 3.28Å; A28-F32 PolarHBondContact O-N 3.35Å; A29-F32 PolarHBondContact O-N 3.05Å; V30-F32 PolarHBondContact O-N 3.11Å; F32-Y34 VanDerWaalsContact C-N 3.33Å; F32-Y34 PolarHBondContact O-N 2.85Å; F32-L35 PolarHBondContact O-N 3.32Å; F32-L36 HydrophobicContact CE1-CD2 4.33Å; F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.95Å |
| 33 | L | 94.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 178.7 | -70.5 | -178 | 0 | 0 | 0 | 112.4 | A29 V30 L36 S37 L45 L67 M68 | A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 VanDerWaalsContact O-CG 3.32Å; A29-L33 WeakPolarHBondContact O-CG 3.19Å; A29-L33 PolarHBondContact O-N 2.88Å; V30-L33 PolarHBondContact O-N 3.34Å; L33-L36 HydrophobicContact CD2-CD2 4.2Å; L33-L36 PolarHBondContact O-N 3.24Å; L33-S37 PolarHBondContact O-N 2.9Å; L33-L45 HydrophobicContact CD2-CD1 3.64Å; L33-L67 HydrophobicContact CD1-CB 3.64Å; L33-M68 HydrophobicContact CB-SD 3.94Å |
| 34 | Y | 94.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 171.8 | 178.2 | -114.2 | 0 | 0 | 0 | 112.1 | V30 L31 F32 L36 S37 F38 E69 V72 V75 | V30-Y34 VanDerWaalsContact O-CB 3.28Å; V30-Y34 WeakPolarHBondContact O-CB 3.31Å; V30-Y34 PolarHBondContact O-N 3.15Å; L31-Y34 PolarHBondContact O-N 3.16Å; F32-Y34 VanDerWaalsContact C-N 3.33Å; F32-Y34 PolarHBondContact O-N 2.85Å; Y34-L36 VanDerWaalsContact C-N 3.32Å; Y34-L36 PolarHBondContact O-N 3.25Å; Y34-S37 WeakPolarHBondContact O-CB 3.43Å; Y34-S37 PolarHBondContact O-N 3.08Å; Y34-S37 VanDerWaalsContact O-N 3.17Å; Y34-F38 HydrophobicContact CD1-CE2 4.24Å; Y34-F38 AromaticContact CE1-CE2 3.67Å; Y34-F38 HydrophobicContact CE1-CE2 3.67Å; Y34-F38 HydrophobicContact CE1-CZ 4.25Å; Y34-F38 AromaticContact CE2-CE2 3.98Å; Y34-F38 HydrophobicContact CE2-CE2 3.98Å; Y34-F38 HydrophobicContact CE2-CZ 4.21Å; Y34-F38 AromaticContact CZ-CE2 3.5Å; Y34-F38 AromaticContact CZ-CZ 3.7Å; Y34-F38 WeakPolarHBondContact O-CD2 3.21Å; Y34-F38 VanDerWaalsContact OH-CZ 3.3Å; Y34-F38 WeakPolarHBondContact OH-CZ 3.22Å; Y34-E69 WeakPolarHBondContact CD2-O 3.2Å; Y34-V72 WeakPolarHBondContact OH-CG2 3.27Å; Y34-V75 HydrophobicContact CD1-CG2 3.98Å; Y34-V75 HydrophobicContact CD2-CG2 3.47Å; Y34-V75 VanDerWaalsContact CD2-CG2 3.47Å; Y34-V75 HydrophobicContact CE1-CG2 4.39Å; Y34-V75 HydrophobicContact CE2-CG2 3.96Å; Y34-V75 HydrophobicContact CG-CG2 3.48Å; Y34-V75 VanDerWaalsContact CG-CG2 3.48Å |
| 35 | L | 94 | Very high | 92.1 | Very high | 116 Ų | 116 | 56.7 Ų | 56.7 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 175.6 | -69.8 | 174.4 | 0 | 0 | 0 | 111.7 | L31 F32 S37 F38 | L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 2.99Å; F32-L35 PolarHBondContact O-N 3.32Å; L35-S37 PolarHBondContact O-N 3.19Å; L35-F38 PolarHBondContact O-N 3.49Å |
| 36 | L | 92.5 | Very high | 92.1 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -31.9 | 175.7 | -172.4 | 64 | 0 | 0 | 0 | 111.8 | F32 L33 Y34 F38 A39 V40 T42 | F32-L36 HydrophobicContact CE1-CD2 4.33Å; F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.95Å; L33-L36 HydrophobicContact CD2-CD2 4.2Å; L33-L36 PolarHBondContact O-N 3.24Å; Y34-L36 VanDerWaalsContact C-N 3.32Å; Y34-L36 PolarHBondContact O-N 3.25Å; L36-F38 PolarHBondContact O-N 2.84Å; L36-F38 VanDerWaalsContact O-N 3.13Å; L36-A39 PolarHBondContact O-N 3.19Å; L36-V40 HydrophobicContact CD1-CB 4.32Å; L36-V40 HydrophobicContact CD1-CG2 3.94Å; L36-V40 PolarHBondContact O-N 3.26Å; L36-T42 HydrophobicContact CG-CG2 4.39Å |
| 37 | S | 90.6 | Very high | 92 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -22.7 | 176.2 | -157.7 | 0 | 0 | 0 | 0 | 114.5 | L33 Y34 L35 T42 M68 | L33-S37 PolarHBondContact O-N 2.9Å; Y34-S37 WeakPolarHBondContact O-CB 3.43Å; Y34-S37 PolarHBondContact O-N 3.08Å; Y34-S37 VanDerWaalsContact O-N 3.17Å; L35-S37 PolarHBondContact O-N 3.19Å; S37-T42 PolarHBondContact OG-OG1 2.94Å; S37-M68 WeakPolarHBondContact OG-CE 3.35Å |
| 38 | F | 90.9 | Very high | 92 | Very high | 149 Ų | 149 | 53.3 Ų | 53.3 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -84.6 | -25.3 | 175.5 | -68.6 | -76.3 | 0 | 0 | 0 | 113 | Y34 L35 L36 | Y34-F38 HydrophobicContact CD1-CE2 4.24Å; Y34-F38 AromaticContact CE1-CE2 3.67Å; Y34-F38 HydrophobicContact CE1-CE2 3.67Å; Y34-F38 HydrophobicContact CE1-CZ 4.25Å; Y34-F38 AromaticContact CE2-CE2 3.98Å; Y34-F38 HydrophobicContact CE2-CE2 3.98Å; Y34-F38 HydrophobicContact CE2-CZ 4.21Å; Y34-F38 AromaticContact CZ-CE2 3.5Å; Y34-F38 AromaticContact CZ-CZ 3.7Å; Y34-F38 WeakPolarHBondContact O-CD2 3.21Å; Y34-F38 VanDerWaalsContact OH-CZ 3.3Å; Y34-F38 WeakPolarHBondContact OH-CZ 3.22Å; L35-F38 PolarHBondContact O-N 3.49Å; L36-F38 PolarHBondContact O-N 2.84Å; L36-F38 VanDerWaalsContact O-N 3.13Å |
| 39 | A | 89.1 | Confident | 91.8 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 69% | 0.686 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -94.9 | -34.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 | L36-A39 PolarHBondContact O-N 3.19Å |
| 40 | V | 89.4 | Confident | 91.6 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -136.5 | 147.7 | -171.4 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | L36 T42 | L36-V40 HydrophobicContact CD1-CB 4.32Å; L36-V40 HydrophobicContact CD1-CG2 3.94Å; L36-V40 PolarHBondContact O-N 3.26Å; V40-T42 PolarHBondContact O-N 3.45Å; V40-T42 VanDerWaalsContact O-N 3.09Å |
| 41 | D | 86.1 | Confident | 91.5 | Very high | 136 Ų | 136 | 53.2 Ų | 53.2 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | trans | -65.5 | 108.9 | 168.5 | -175.4 | 7.4 | 0 | 0 | 0 | 110.1 | G43 | D41-G43 PolarHBondContact O-N 2.95Å; D41-G43 PolarHBondContact OD1-N 3.3Å | ||
| 42 | T | 84.6 | Confident | 91.3 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -86.8 | 12 | -178.3 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | L36 S37 V40 C44 L45 M68 | L36-T42 HydrophobicContact CG-CG2 4.39Å; S37-T42 PolarHBondContact OG-OG1 2.94Å; V40-T42 PolarHBondContact O-N 3.45Å; V40-T42 VanDerWaalsContact O-N 3.09Å; T42-C44 PolarHBondContact O-N 3.48Å; T42-C44 VanDerWaalsContact O-N 3.11Å; T42-L45 HydrophobicContact CG2-CD1 4.29Å; T42-L45 PolarHBondContact O-N 3.42Å; T42-M68 VanDerWaalsContact CB-CE 3.41Å; T42-M68 HydrophobicContact CG2-CE 3.7Å; T42-M68 HydrophobicContact CG2-SD 3.98Å; T42-M68 WeakPolarHBondContact OG1-CE 3.32Å |
| 43 | G | 85 | Confident | 90.9 | Very high | 15 Ų | 15 | 47 Ų | 47 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -54.2 | -28.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D41 L45 | D41-G43 PolarHBondContact O-N 2.95Å; D41-G43 PolarHBondContact OD1-N 3.3Å; G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 2.85Å |
| 44 | C | 88.3 | Confident | 90.4 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -74.5 | -9.8 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 114.9 | T42 W58 W60 T61 | T42-C44 PolarHBondContact O-N 3.48Å; T42-C44 VanDerWaalsContact O-N 3.11Å; C44-W58 HydrophobicContact CB-CH2 4.2Å; C44-W58 HydrophobicContact CB-CZ3 4.23Å; C44-W60 PolarHBondContact O-NE1 3.27Å; C44-T61 VanDerWaalsContact O-CG2 3.26Å; C44-T61 WeakPolarHBondContact O-CG2 3.22Å |
| 45 | L | 92.1 | Very high | 90 | Very high | 29 Ų | 29 | 54 Ų | 54 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -20.3 | 178 | -63 | 175.9 | 0 | 0 | 0 | 112.7 | L33 T42 G43 T64 H65 M68 | L33-L45 HydrophobicContact CD2-CD1 3.64Å; T42-L45 HydrophobicContact CG2-CD1 4.29Å; T42-L45 PolarHBondContact O-N 3.42Å; G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 2.85Å; L45-T64 HydrophobicContact CD2-CG2 4.1Å; L45-T64 PolarHBondContact O-OG1 3.36Å; L45-H65 WeakPolarHBondContact O-CA 3.43Å; L45-H65 PolarHBondContact O-N 2.82Å; L45-M68 HydrophobicContact CD1-SD 4.4Å |
| 46 | A | 93.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -82.1 | 145.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T48 T61 R134 H136 | A46-T48 PolarHBondContact O-N 3.05Å; A46-T48 VanDerWaalsContact O-N 3.11Å; A46-T61 WeakPolarHBondContact O-CG2 3.34Å; A46-R134 HydrophobicContact CB-CB 4.1Å; A46-R134 HydrophobicContact CB-CG 4.5Å; A46-H136 HydrophobicContact CB-CB 4.05Å |
| 47 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 110.3 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | T61 L62 H65 A114 I135 | V47-T61 VanDerWaalsContact CG2-C 3.5Å; V47-T61 VanDerWaalsContact CG2-O 3.3Å; V47-T61 WeakPolarHBondContact CG2-O 3.02Å; V47-L62 HydrophobicContact CG2-CD2 4.2Å; V47-H65 HydrophobicContact CB-CB 4.47Å; V47-H65 HydrophobicContact CG2-CB 3.83Å; V47-A114 HydrophobicContact CG1-CB 4.09Å; V47-I135 HydrophobicContact CB-CB 4.21Å; V47-I135 PolarHBondContact N-O 3.5Å; V47-I135 PolarHBondContact O-N 3.44Å |
| 48 | T | 94.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | trans | -101.6 | 116.1 | 168.4 | -56 | 0 | 0 | 0 | 0 | 107.5 | A46 G50 Y51 L52 L130 | A46-T48 PolarHBondContact O-N 3.05Å; A46-T48 VanDerWaalsContact O-N 3.11Å; T48-G50 VanDerWaalsContact C-N 3.26Å; T48-G50 PolarHBondContact O-N 3.45Å; T48-G50 VanDerWaalsContact O-N 3.15Å; T48-Y51 HydrophobicContact CG2-CD2 3.41Å; T48-Y51 VanDerWaalsContact CG2-CD2 3.41Å; T48-Y51 HydrophobicContact CG2-CE2 3.78Å; T48-Y51 HydrophobicContact CG2-CG 4.25Å; T48-Y51 PolarHBondContact O-N 2.96Å; T48-L52 PolarHBondContact O-N 3Å; T48-L130 WeakPolarHBondContact CG2-O 3.42Å | ||
| 49 | P | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.6 | -41.7 | -171.5 | -28.2 | 34.6 | 0 | 0 | 0 | 113.5 | Y51 L52 F53 A114 Y117 L130 V133 | P49-Y51 VanDerWaalsContact C-N 3.33Å; P49-Y51 PolarHBondContact O-N 3.25Å; P49-L52 PolarHBondContact O-N 3.38Å; P49-F53 WeakPolarHBondContact O-CD2 3.3Å; P49-F53 WeakPolarHBondContact O-CE2 3.34Å; P49-A114 HydrophobicContact CB-CB 4.31Å; P49-Y117 HydrophobicContact CG-CD2 4.17Å; P49-Y117 HydrophobicContact CG-CG 4.17Å; P49-L130 HydrophobicContact CB-CD2 4.17Å; P49-V133 VanDerWaalsContact CD-O 3.22Å; P49-V133 WeakPolarHBondContact CD-O 3.4Å |
| 50 | G | 91.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.3 | -23.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T48 L130 | T48-G50 VanDerWaalsContact C-N 3.26Å; T48-G50 PolarHBondContact O-N 3.45Å; T48-G50 VanDerWaalsContact O-N 3.15Å; G50-L130 WeakPolarHBondContact CA-O 3Å; G50-L130 PolarHBondContact N-O 3.22Å |
| 51 | Y | 92.6 | Very high | 90.4 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -94.3 | -15 | 179.5 | -61.6 | -48.6 | 0 | 0 | 0 | 113.6 | T48 P49 N56 F57 W58 F131 | T48-Y51 HydrophobicContact CG2-CD2 3.41Å; T48-Y51 VanDerWaalsContact CG2-CD2 3.41Å; T48-Y51 HydrophobicContact CG2-CE2 3.78Å; T48-Y51 HydrophobicContact CG2-CG 4.25Å; T48-Y51 PolarHBondContact O-N 2.96Å; P49-Y51 VanDerWaalsContact C-N 3.33Å; P49-Y51 PolarHBondContact O-N 3.25Å; Y51-N56 HydrophobicContact CD1-CB 4.25Å; Y51-N56 WeakPolarHBondContact CD1-ND2 3.24Å; Y51-F57 PolarHBondContact O-N 3.47Å; Y51-W58 AromaticContact CD2-CE3 4Å; Y51-W58 HydrophobicContact CD2-CE3 4Å; Y51-W58 HydrophobicContact CD2-CH2 4.03Å; Y51-W58 AromaticContact CD2-CZ3 3.64Å; Y51-W58 HydrophobicContact CD2-CZ3 3.64Å; Y51-W58 HydrophobicContact CE2-CH2 4.42Å; Y51-W58 HydrophobicContact CE2-CZ3 4.35Å; Y51-W58 HydrophobicContact CG-CD2 4.32Å; Y51-W58 HydrophobicContact CG-CE3 4.09Å; Y51-W58 HydrophobicContact CG-CH2 4.41Å; Y51-W58 HydrophobicContact CG-CZ3 4.12Å; Y51-W58 PolarHBondContact O-N 3.25Å; Y51-F131 HydrophobicContact CD1-CD1 4.48Å; Y51-F131 HydrophobicContact CD1-CE1 4.39Å; Y51-F131 AromaticContact CE1-CD1 3.96Å; Y51-F131 HydrophobicContact CE1-CD1 3.96Å; Y51-F131 HydrophobicContact CE1-CE1 4.06Å; Y51-F131 HydrophobicContact CE2-CD1 4.45Å; Y51-F131 AromaticContact CZ-CD1 3.92Å |
| 52 | L | 91 | Very high | 90.9 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -37.8 | 174 | -176.1 | 65.9 | 0 | 0 | 0 | 111.6 | T48 P49 L62 A114 | T48-L52 PolarHBondContact O-N 3Å; P49-L52 PolarHBondContact O-N 3.38Å; L52-L62 HydrophobicContact CD1-CD1 4.03Å; L52-L62 HydrophobicContact CD1-CD2 3.87Å; L52-L62 HydrophobicContact CD1-CG 3.77Å; L52-L62 HydrophobicContact CD2-CD2 3.91Å; L52-A114 HydrophobicContact CD2-CB 3.43Å; L52-A114 VanDerWaalsContact CD2-CB 3.43Å |
| 53 | F | 87 | Confident | 91.3 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -81.9 | 165.8 | 179 | -60.4 | -64.5 | 0 | 0 | 0 | 111.5 | P49 N56 L118 | P49-F53 WeakPolarHBondContact O-CD2 3.3Å; P49-F53 WeakPolarHBondContact O-CE2 3.34Å; F53-N56 PolarHBondContact O-N 3.49Å; F53-L118 HydrophobicContact CD2-CD2 4.47Å; F53-L118 HydrophobicContact CE1-CD2 4.36Å; F53-L118 HydrophobicContact CE2-CB 4.06Å; F53-L118 HydrophobicContact CE2-CD1 4.42Å; F53-L118 HydrophobicContact CE2-CD2 3.85Å; F53-L118 HydrophobicContact CE2-CG 4.33Å; F53-L118 HydrophobicContact CZ-CB 4.46Å; F53-L118 HydrophobicContact CZ-CD2 3.79Å |
| 54 | P | 84.1 | Confident | 91.7 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 58% | 0.578 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 142.6 | 173.5 | -14.7 | 22.5 | 0 | 0 | 0 | 110.6 | F57 | P54-F57 HydrophobicContact CB-CE1 4.32Å; P54-F57 HydrophobicContact CB-CE2 3.81Å; P54-F57 HydrophobicContact CB-CZ 3.68Å; P54-F57 HydrophobicContact CG-CE1 3.76Å; P54-F57 HydrophobicContact CG-CE2 4.12Å; P54-F57 HydrophobicContact CG-CZ 3.45Å; P54-F57 VanDerWaalsContact CG-CZ 3.45Å |
| 55 | P | 85.9 | Confident | 92 | Very high | 108 Ų | 108 | 46.6 Ų | 46.6 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -93.9 | -11.2 | 12.9 | 34.5 | -35.3 | 0 | 0 | 0 | 115.9 | F57 | P55-F57 WeakPolarHBondContact O-CD2 3.38Š|
| 56 | N | 89.2 | Confident | 92.1 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27 | -166.6 | -66.2 | -64 | 0 | 0 | 0 | 114.2 | Y51 F53 W58 | Y51-N56 HydrophobicContact CD1-CB 4.25Å; Y51-N56 WeakPolarHBondContact CD1-ND2 3.24Å; F53-N56 PolarHBondContact O-N 3.49Å; N56-W58 VanDerWaalsContact O-CD1 3.3Å; N56-W58 PolarHBondContact O-N 2.96Å |
| 57 | F | 91.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 46.4 Ų | 46.4 | 47% | 0.469 | 24% | 0.243 | S | C | . | . | trans | 46.7 | 51.4 | 176.2 | -67.7 | -76 | 0 | 0 | 0 | 114.4 | Y51 P54 P55 I59 | Y51-F57 PolarHBondContact O-N 3.47Å; P54-F57 HydrophobicContact CB-CE1 4.32Å; P54-F57 HydrophobicContact CB-CE2 3.81Å; P54-F57 HydrophobicContact CB-CZ 3.68Å; P54-F57 HydrophobicContact CG-CE1 3.76Å; P54-F57 HydrophobicContact CG-CE2 4.12Å; P54-F57 HydrophobicContact CG-CZ 3.45Å; P54-F57 VanDerWaalsContact CG-CZ 3.45Å; P55-F57 WeakPolarHBondContact O-CD2 3.38Å; F57-I59 HydrophobicContact CB-CD1 4.37Å; F57-I59 HydrophobicContact CB-CG1 4.43Å; F57-I59 HydrophobicContact CD1-CD1 4.43Å; F57-I59 PolarHBondContact O-N 2.94Å | ||
| 58 | W | 92.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | trans | -73.5 | 55.7 | 176.3 | -72.6 | 8.9 | 0 | 0 | 0 | 112.5 | C44 Y51 N56 W60 T61 | C44-W58 HydrophobicContact CB-CH2 4.2Å; C44-W58 HydrophobicContact CB-CZ3 4.23Å; Y51-W58 AromaticContact CD2-CE3 4Å; Y51-W58 HydrophobicContact CD2-CE3 4Å; Y51-W58 HydrophobicContact CD2-CH2 4.03Å; Y51-W58 AromaticContact CD2-CZ3 3.64Å; Y51-W58 HydrophobicContact CD2-CZ3 3.64Å; Y51-W58 HydrophobicContact CE2-CH2 4.42Å; Y51-W58 HydrophobicContact CE2-CZ3 4.35Å; Y51-W58 HydrophobicContact CG-CD2 4.32Å; Y51-W58 HydrophobicContact CG-CE3 4.09Å; Y51-W58 HydrophobicContact CG-CH2 4.41Å; Y51-W58 HydrophobicContact CG-CZ3 4.12Å; Y51-W58 PolarHBondContact O-N 3.25Å; N56-W58 VanDerWaalsContact O-CD1 3.3Å; N56-W58 PolarHBondContact O-N 2.96Å; W58-W60 VanDerWaalsContact C-N 3.26Å; W58-W60 HydrophobicContact CB-CH2 4.11Å; W58-W60 HydrophobicContact CB-CZ2 3.94Å; W58-W60 HydrophobicContact CB-CZ3 4.49Å; W58-W60 AromaticContact CD1-CH2 3.14Å; W58-W60 AromaticContact CD1-CZ2 3.45Å; W58-W60 VanDerWaalsContact CD1-CZ2 3.45Å; W58-W60 AromaticContact CD1-CZ3 3.99Å; W58-W60 HydrophobicContact CD2-CH2 4.42Å; W58-W60 AromaticContact CD2-CZ2 3.96Å; W58-W60 HydrophobicContact CD2-CZ2 3.96Å; W58-W60 AromaticContact CG-CH2 3.66Å; W58-W60 HydrophobicContact CG-CH2 3.66Å; W58-W60 AromaticContact CG-CZ2 3.52Å; W58-W60 HydrophobicContact CG-CZ2 3.52Å; W58-W60 HydrophobicContact CG-CZ3 4.45Å; W58-W60 AromaticContact NE1-CH2 3.66Å; W58-W60 AromaticContact NE1-CZ2 3.82Å; W58-W60 PolarHBondContact O-N 2.85Å; W58-T61 HydrophobicContact CB-CG2 3.88Å; W58-T61 HydrophobicContact CE3-CG2 4.27Å; W58-T61 WeakPolarHBondContact O-CB 3.45Å; W58-T61 WeakPolarHBondContact O-CG2 3.3Å; W58-T61 PolarHBondContact O-N 2.79Å; W58-T61 VanDerWaalsContact O-N 3.12Å; W58-T61 PolarHBondContact O-OG1 3.34Å | ||
| 59 | I | 93.8 | Very high | 92.1 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 52% | 0.518 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.9 | -172.7 | -60.3 | 165.6 | 0 | 0 | 0 | 111.5 | F57 T61 L62 | F57-I59 HydrophobicContact CB-CD1 4.37Å; F57-I59 HydrophobicContact CB-CG1 4.43Å; F57-I59 HydrophobicContact CD1-CD1 4.43Å; F57-I59 PolarHBondContact O-N 2.94Å; I59-T61 PolarHBondContact O-N 3.45Å; I59-L62 HydrophobicContact CG2-CD1 4.31Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 WeakPolarHBondContact O-CG 3.42Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.13Å |
| 60 | W | 94.4 | Very high | 92 | Very high | 126 Ų | 126 | 49.8 Ų | 49.8 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.8 | 177.4 | 63.5 | 84.6 | 0 | 0 | 0 | 112.6 | C44 W58 L62 A63 T64 | C44-W60 PolarHBondContact O-NE1 3.27Å; W58-W60 VanDerWaalsContact C-N 3.26Å; W58-W60 HydrophobicContact CB-CH2 4.11Å; W58-W60 HydrophobicContact CB-CZ2 3.94Å; W58-W60 HydrophobicContact CB-CZ3 4.49Å; W58-W60 AromaticContact CD1-CH2 3.14Å; W58-W60 AromaticContact CD1-CZ2 3.45Å; W58-W60 VanDerWaalsContact CD1-CZ2 3.45Å; W58-W60 AromaticContact CD1-CZ3 3.99Å; W58-W60 HydrophobicContact CD2-CH2 4.42Å; W58-W60 AromaticContact CD2-CZ2 3.96Å; W58-W60 HydrophobicContact CD2-CZ2 3.96Å; W58-W60 AromaticContact CG-CH2 3.66Å; W58-W60 HydrophobicContact CG-CH2 3.66Å; W58-W60 AromaticContact CG-CZ2 3.52Å; W58-W60 HydrophobicContact CG-CZ2 3.52Å; W58-W60 HydrophobicContact CG-CZ3 4.45Å; W58-W60 AromaticContact NE1-CH2 3.66Å; W58-W60 AromaticContact NE1-CZ2 3.82Å; W58-W60 PolarHBondContact O-N 2.85Å; W60-L62 PolarHBondContact O-N 3.38Å; W60-L62 VanDerWaalsContact O-N 3.17Å; W60-A63 PolarHBondContact O-N 2.9Å; W60-T64 PolarHBondContact O-N 2.66Å; W60-T64 VanDerWaalsContact O-N 3.09Å; W60-T64 PolarHBondContact O-OG1 2.84Å |
| 61 | T | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -29.8 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | C44 A46 V47 W58 I59 A63 T64 H65 | C44-T61 VanDerWaalsContact O-CG2 3.26Å; C44-T61 WeakPolarHBondContact O-CG2 3.22Å; A46-T61 WeakPolarHBondContact O-CG2 3.34Å; V47-T61 VanDerWaalsContact CG2-C 3.5Å; V47-T61 VanDerWaalsContact CG2-O 3.3Å; V47-T61 WeakPolarHBondContact CG2-O 3.02Å; W58-T61 HydrophobicContact CB-CG2 3.88Å; W58-T61 HydrophobicContact CE3-CG2 4.27Å; W58-T61 WeakPolarHBondContact O-CB 3.45Å; W58-T61 WeakPolarHBondContact O-CG2 3.3Å; W58-T61 PolarHBondContact O-N 2.79Å; W58-T61 VanDerWaalsContact O-N 3.12Å; W58-T61 PolarHBondContact O-OG1 3.34Å; I59-T61 PolarHBondContact O-N 3.45Å; T61-A63 PolarHBondContact O-N 2.92Å; T61-T64 WeakPolarHBondContact CA-OG1 3.28Å; T61-T64 PolarHBondContact O-N 2.93Å; T61-H65 VanDerWaalsContact O-CB 3.32Å; T61-H65 WeakPolarHBondContact O-CB 3.27Å; T61-H65 PolarHBondContact O-N 3.43Å; T61-H65 PolarHBondContact O-ND1 3.35Å |
| 62 | L | 95.2 | Very high | 92 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -30.7 | 175.7 | -62 | 180 | 0 | 0 | 0 | 112.7 | V47 L52 I59 W60 H65 V107 L111 | V47-L62 HydrophobicContact CG2-CD2 4.2Å; L52-L62 HydrophobicContact CD1-CD1 4.03Å; L52-L62 HydrophobicContact CD1-CD2 3.87Å; L52-L62 HydrophobicContact CD1-CG 3.77Å; L52-L62 HydrophobicContact CD2-CD2 3.91Å; I59-L62 HydrophobicContact CG2-CD1 4.31Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 WeakPolarHBondContact O-CG 3.42Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.13Å; W60-L62 PolarHBondContact O-N 3.38Å; W60-L62 VanDerWaalsContact O-N 3.17Å; L62-H65 PolarHBondContact O-CE1 3.42Å; L62-H65 PolarHBondContact O-ND1 3.44Å; L62-H65 VanDerWaalsContact O-ND1 3.16Å; L62-V107 HydrophobicContact CB-CG1 4.47Å; L62-V107 HydrophobicContact CB-CG2 4.45Å; L62-L111 HydrophobicContact CD2-CB 4.47Å |
| 63 | A | 92.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -91.8 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W60 T61 | W60-A63 PolarHBondContact O-N 2.9Å; T61-A63 PolarHBondContact O-N 2.92Å |
| 64 | T | 94.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 62 Ų | 62 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.6 | -30.4 | -171.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | L45 W60 T61 G66 L67 | L45-T64 HydrophobicContact CD2-CG2 4.1Å; L45-T64 PolarHBondContact O-OG1 3.36Å; W60-T64 PolarHBondContact O-N 2.66Å; W60-T64 VanDerWaalsContact O-N 3.09Å; W60-T64 PolarHBondContact O-OG1 2.84Å; T61-T64 WeakPolarHBondContact CA-OG1 3.28Å; T61-T64 PolarHBondContact O-N 2.93Å; T64-G66 VanDerWaalsContact C-N 3.27Å; T64-G66 PolarHBondContact O-N 3.5Å; T64-L67 PolarHBondContact O-N 3Å; T64-L67 VanDerWaalsContact O-N 3.08Å |
| 65 | H | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.2 | -33.4 | -171 | 74.8 | -74.4 | 0 | 0 | 0 | 114 | L45 V47 T61 L62 L67 M68 N106 I135 H136 G137 | L45-H65 WeakPolarHBondContact O-CA 3.43Å; L45-H65 PolarHBondContact O-N 2.82Å; V47-H65 HydrophobicContact CB-CB 4.47Å; V47-H65 HydrophobicContact CG2-CB 3.83Å; T61-H65 VanDerWaalsContact O-CB 3.32Å; T61-H65 WeakPolarHBondContact O-CB 3.27Å; T61-H65 PolarHBondContact O-N 3.43Å; T61-H65 PolarHBondContact O-ND1 3.35Å; L62-H65 PolarHBondContact O-CE1 3.42Å; L62-H65 PolarHBondContact O-ND1 3.44Å; L62-H65 VanDerWaalsContact O-ND1 3.16Å; H65-L67 PolarHBondContact O-N 2.81Å; H65-M68 PolarHBondContact O-N 2.94Å; H65-N106 PolarHBondContact CE1-O 2.89Å; H65-I135 WeakPolarHBondContact CB-O 3.35Å; H65-H136 WeakPolarHBondContact O-CA 3.41Å; H65-G137 PolarHBondContact O-N 2.95Å |
| 66 | G | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.6 | -13.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T64 N106 A138 | T64-G66 VanDerWaalsContact C-N 3.27Å; T64-G66 PolarHBondContact O-N 3.5Å; G66-N106 WeakPolarHBondContact CA-OD1 3.42Å; G66-A138 WeakPolarHBondContact O-CA 3.26Å; G66-A138 WeakPolarHBondContact O-CB 3.23Å; G66-A138 PolarHBondContact O-N 3.3Å |
| 67 | L | 94.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -100.6 | -8 | 176.6 | -64.6 | 169.1 | 0 | 0 | 0 | 112.5 | L26 A29 V30 L33 T64 H65 F102 | L26-L67 HydrophobicContact CD2-CD2 3.97Å; A29-L67 HydrophobicContact CB-CD1 4.15Å; A29-L67 HydrophobicContact CB-CD2 4.37Å; V30-L67 HydrophobicContact CG2-CD2 3.89Å; L33-L67 HydrophobicContact CD1-CB 3.64Å; T64-L67 PolarHBondContact O-N 3Å; T64-L67 VanDerWaalsContact O-N 3.08Å; H65-L67 PolarHBondContact O-N 2.81Å; L67-F102 HydrophobicContact CD2-CE1 4.25Å; L67-F102 HydrophobicContact CD2-CE2 4.36Å; L67-F102 HydrophobicContact CD2-CZ 3.53Å; L67-F102 HydrophobicContact CG-CE1 4.44Å; L67-F102 HydrophobicContact CG-CZ 3.95Å |
| 68 | M | 93.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -95.4 | 113.1 | -173.2 | -176.4 | 67.4 | -150.8 | 0 | 0 | 110.6 | L33 S37 T42 L45 H65 H136 G137 | L33-M68 HydrophobicContact CB-SD 3.94Å; S37-M68 WeakPolarHBondContact OG-CE 3.35Å; T42-M68 VanDerWaalsContact CB-CE 3.41Å; T42-M68 HydrophobicContact CG2-CE 3.7Å; T42-M68 HydrophobicContact CG2-SD 3.98Å; T42-M68 WeakPolarHBondContact OG1-CE 3.32Å; L45-M68 HydrophobicContact CD1-SD 4.4Å; H65-M68 PolarHBondContact O-N 2.94Å; M68-H136 HydrophobicContact CB-CB 4.37Å; M68-H136 HydrophobicContact CG-CB 4.49Å; M68-H136 PolarHBondContact O-ND1 2.92Å; M68-G137 VanDerWaalsContact O-CA 3.24Å; M68-G137 WeakPolarHBondContact O-CA 3.33Å; M68-G137 PolarHBondContact O-N 3.27Å | ||
| 69 | E | 94.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | trans | -115.2 | 147.3 | 175.7 | -62.8 | -64 | -178.1 | 0 | 0 | 111.4 | V30 Y34 D74 V75 S78 G137 A138 | V30-E69 HydrophobicContact CG1-CG 4.24Å; Y34-E69 WeakPolarHBondContact CD2-O 3.2Å; E69-D74 HydrophobicContact CB-CB 4.26Å; E69-D74 HydrophobicContact CG-CB 4.3Å; E69-D74 WeakPolarHBondContact OE2-CB 3.22Å; E69-V75 HydrophobicContact CB-CG2 3.57Å; E69-V75 HydrophobicContact CG-CG2 4.27Å; E69-S78 WeakPolarHBondContact OE1-CB 3.42Å; E69-G137 VanDerWaalsContact CD-CA 3.46Å; E69-G137 VanDerWaalsContact OE1-CA 3.28Å; E69-G137 WeakPolarHBondContact OE1-CA 3.49Å; E69-G137 WeakPolarHBondContact OE2-CA 3.37Å; E69-A138 PolarHBondContact OE1-N 3Å | ||
| 70 | Q | 89.9 | Confident | 94.1 | Very high | 65 Ų | 65 | 49 Ų | 49 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | trans | -108.6 | -31.6 | -178.1 | -68.6 | -172.8 | -17.8 | 0 | 0 | 113.2 | H136 | Q70-H136 VanDerWaalsContact CD-CE1 3.47Å; Q70-H136 PolarHBondContact OE1-NE2 3.29Å | ||
| 71 | H | 91.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -107.4 | 145.8 | 179.7 | -49 | 91.5 | 0 | 0 | 0 | 111.1 | W73 D74 V75 | H71-W73 PolarHBondContact O-N 3.45Å; H71-D74 WeakPolarHBondContact CB-OD2 3.49Å; H71-D74 IonicContact CG-OD2 2.72Å; H71-D74 IonicContact ND1-OD2 3.62Å; H71-D74 PolarHBondContact ND1-OD2 2.73Å; H71-D74 PolarHBondContact O-N 3.35Å; H71-V75 PolarHBondContact O-N 2.82Å |
| 72 | V | 92.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.3 | -37.5 | 176 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | Y34 V75 A76 | Y34-V72 WeakPolarHBondContact OH-CG2 3.27Å; V72-V75 WeakPolarHBondContact O-CB 3.37Å; V72-V75 PolarHBondContact O-N 3.2Å; V72-A76 PolarHBondContact O-N 2.84Å |
| 73 | W | 93.5 | Very high | 94.2 | Very high | 197 Ų | 197 | 44.3 Ų | 44.3 | 75% | 0.746 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67 | -39 | 179.6 | -29.6 | 110.5 | 0 | 0 | 0 | 111.6 | H71 A76 I77 | H71-W73 PolarHBondContact O-N 3.45Å; W73-A76 WeakPolarHBondContact O-CB 3.31Å; W73-A76 PolarHBondContact O-N 2.91Å; W73-I77 WeakPolarHBondContact O-CG1 3.13Å; W73-I77 PolarHBondContact O-N 2.99Å |
| 74 | D | 93.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 176.8 | -57 | -33.1 | 0 | 0 | 0 | 110.8 | E69 H71 A76 I77 S78 | E69-D74 HydrophobicContact CB-CB 4.26Å; E69-D74 HydrophobicContact CG-CB 4.3Å; E69-D74 WeakPolarHBondContact OE2-CB 3.22Å; H71-D74 WeakPolarHBondContact CB-OD2 3.49Å; H71-D74 IonicContact CG-OD2 2.72Å; H71-D74 IonicContact ND1-OD2 3.62Å; H71-D74 PolarHBondContact ND1-OD2 2.73Å; H71-D74 PolarHBondContact O-N 3.35Å; D74-A76 VanDerWaalsContact C-N 3.34Å; D74-A76 PolarHBondContact O-N 2.92Å; D74-I77 PolarHBondContact O-N 3.13Å; D74-S78 WeakPolarHBondContact O-CB 3.42Å; D74-S78 PolarHBondContact O-N 3.38Å; D74-S78 PolarHBondContact O-OG 3.5Å |
| 75 | V | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 170.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | V30 L31 Y34 E69 H71 V72 I77 S78 L79 | V30-V75 HydrophobicContact CG1-CG1 4.4Å; L31-V75 HydrophobicContact CD2-CG1 4.01Å; Y34-V75 HydrophobicContact CD1-CG2 3.98Å; Y34-V75 HydrophobicContact CD2-CG2 3.47Å; Y34-V75 VanDerWaalsContact CD2-CG2 3.47Å; Y34-V75 HydrophobicContact CE1-CG2 4.39Å; Y34-V75 HydrophobicContact CE2-CG2 3.96Å; Y34-V75 HydrophobicContact CG-CG2 3.48Å; Y34-V75 VanDerWaalsContact CG-CG2 3.48Å; E69-V75 HydrophobicContact CB-CG2 3.57Å; E69-V75 HydrophobicContact CG-CG2 4.27Å; H71-V75 PolarHBondContact O-N 2.82Å; V72-V75 WeakPolarHBondContact O-CB 3.37Å; V72-V75 PolarHBondContact O-N 3.2Å; V75-I77 PolarHBondContact O-N 3.33Å; V75-S78 VanDerWaalsContact CA-OG 3.29Å; V75-S78 WeakPolarHBondContact CA-OG 3.37Å; V75-S78 PolarHBondContact O-N 3.03Å; V75-S78 PolarHBondContact O-OG 3.41Å; V75-L79 HydrophobicContact CG1-CD1 3.55Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CB 3.36Å; V75-L79 VanDerWaalsContact O-CD1 3.31Å; V75-L79 WeakPolarHBondContact O-CD1 3.36Å; V75-L79 WeakPolarHBondContact O-CG 3.21Å; V75-L79 PolarHBondContact O-N 2.76Å |
| 76 | A | 95.8 | Very high | 94.1 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V72 W73 D74 T80 | V72-A76 PolarHBondContact O-N 2.84Å; W73-A76 WeakPolarHBondContact O-CB 3.31Å; W73-A76 PolarHBondContact O-N 2.91Å; D74-A76 VanDerWaalsContact C-N 3.34Å; D74-A76 PolarHBondContact O-N 2.92Å; A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.48Å; A76-T80 PolarHBondContact O-OG1 2.84Å |
| 77 | I | 95.2 | Very high | 94.1 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 177.1 | -67.9 | 165.4 | 0 | 0 | 0 | 110.7 | W73 D74 V75 T80 T81 L142 | W73-I77 WeakPolarHBondContact O-CG1 3.13Å; W73-I77 PolarHBondContact O-N 2.99Å; D74-I77 PolarHBondContact O-N 3.13Å; V75-I77 PolarHBondContact O-N 3.33Å; I77-T80 PolarHBondContact O-N 2.89Å; I77-T81 WeakPolarHBondContact O-CB 3.11Å; I77-T81 PolarHBondContact O-N 2.86Å; I77-T81 PolarHBondContact O-OG1 3.03Å; I77-L142 HydrophobicContact CG2-CD2 3.95Å |
| 78 | S | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 179.4 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | V30 E69 D74 V75 T80 T81 V82 | V30-S78 WeakPolarHBondContact CG1-OG 3.34Å; E69-S78 WeakPolarHBondContact OE1-CB 3.42Å; D74-S78 WeakPolarHBondContact O-CB 3.42Å; D74-S78 PolarHBondContact O-N 3.38Å; D74-S78 PolarHBondContact O-OG 3.5Å; V75-S78 VanDerWaalsContact CA-OG 3.29Å; V75-S78 WeakPolarHBondContact CA-OG 3.37Å; V75-S78 PolarHBondContact O-N 3.03Å; V75-S78 PolarHBondContact O-OG 3.41Å; S78-T80 VanDerWaalsContact C-N 3.34Å; S78-T80 PolarHBondContact O-N 3.18Å; S78-T81 WeakPolarHBondContact O-CB 3.48Å; S78-T81 PolarHBondContact O-N 3.37Å; S78-V82 WeakPolarHBondContact O-CG2 3.33Å; S78-V82 PolarHBondContact O-N 2.94Å |
| 79 | L | 95.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 172.7 | -81.5 | 154.8 | 0 | 0 | 0 | 111.5 | C27 L31 V75 T81 V82 V83 | C27-L79 HydrophobicContact CB-CD2 3.74Å; L31-L79 HydrophobicContact CD1-CD2 4.43Å; L31-L79 HydrophobicContact CD2-CD1 3.93Å; L31-L79 HydrophobicContact CG-CD1 4.39Å; L31-L79 HydrophobicContact CG-CD2 4.4Å; V75-L79 HydrophobicContact CG1-CD1 3.55Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CB 3.36Å; V75-L79 VanDerWaalsContact O-CD1 3.31Å; V75-L79 WeakPolarHBondContact O-CD1 3.36Å; V75-L79 WeakPolarHBondContact O-CG 3.21Å; V75-L79 PolarHBondContact O-N 2.76Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.9Å; L79-V82 PolarHBondContact O-N 3.24Å; L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 2.88Å |
| 80 | T | 94.5 | Very high | 93.8 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | A76 I77 S78 V83 V84 | A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.48Å; A76-T80 PolarHBondContact O-OG1 2.84Å; I77-T80 PolarHBondContact O-N 2.89Å; S78-T80 VanDerWaalsContact C-N 3.34Å; S78-T80 PolarHBondContact O-N 3.18Å; T80-V83 PolarHBondContact O-N 2.94Å; T80-V84 HydrophobicContact CG2-CG2 4.24Å; T80-V84 WeakPolarHBondContact O-CB 3.47Å; T80-V84 WeakPolarHBondContact O-CG2 3.24Å; T80-V84 PolarHBondContact O-N 3.48Å |
| 81 | T | 95.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | I77 S78 L79 V84 A85 F141 L142 V145 | I77-T81 WeakPolarHBondContact O-CB 3.11Å; I77-T81 PolarHBondContact O-N 2.86Å; I77-T81 PolarHBondContact O-OG1 3.03Å; S78-T81 WeakPolarHBondContact O-CB 3.48Å; S78-T81 PolarHBondContact O-N 3.37Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.9Å; T81-V84 PolarHBondContact O-N 3.24Å; T81-A85 WeakPolarHBondContact O-CB 3.38Å; T81-A85 PolarHBondContact O-N 2.86Å; T81-F141 HydrophobicContact CG2-CD1 3.8Å; T81-F141 HydrophobicContact CG2-CE1 4.1Å; T81-L142 HydrophobicContact CG2-CB 3.96Å; T81-L142 HydrophobicContact CG2-CD1 4Å; T81-L142 WeakPolarHBondContact OG1-CD1 3.44Å; T81-V145 HydrophobicContact CG2-CB 4.15Å; T81-V145 HydrophobicContact CG2-CG2 3.86Å |
| 82 | V | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 179.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V23 L26 S78 L79 A85 G86 F141 | V23-V82 HydrophobicContact CG1-CG1 4.12Å; L26-V82 HydrophobicContact CB-CG1 3.78Å; L26-V82 HydrophobicContact CD1-CG1 4.21Å; S78-V82 WeakPolarHBondContact O-CG2 3.33Å; S78-V82 PolarHBondContact O-N 2.94Å; L79-V82 PolarHBondContact O-N 3.24Å; V82-A85 PolarHBondContact O-N 3.46Å; V82-G86 PolarHBondContact O-N 3.47Å; V82-F141 HydrophobicContact CG2-CE1 4.3Å |
| 83 | V | 94.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 22% | 0.218 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | I15 L79 T80 G86 R87 | I15-V83 HydrophobicContact CG2-CG1 3.69Å; L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 2.88Å; T80-V83 PolarHBondContact O-N 2.94Å; V83-G86 PolarHBondContact O-N 2.99Å; V83-R87 WeakPolarHBondContact O-CB 3.39Å; V83-R87 WeakPolarHBondContact O-CG 3.29Å; V83-R87 PolarHBondContact O-N 2.87Å |
| 84 | V | 92.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 29% | 0.291 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -44.7 | 176.5 | 169 | 0 | 0 | 0 | 0 | 110.6 | T80 T81 G86 R87 L88 L149 | T80-V84 HydrophobicContact CG2-CG2 4.24Å; T80-V84 WeakPolarHBondContact O-CB 3.47Å; T80-V84 WeakPolarHBondContact O-CG2 3.24Å; T80-V84 PolarHBondContact O-N 3.48Å; T81-V84 PolarHBondContact O-N 3.24Å; V84-G86 PolarHBondContact O-N 2.85Å; V84-R87 PolarHBondContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.85Å; V84-L88 HydrophobicContact CG1-CG 4.4Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 PolarHBondContact O-N 2.98Å; V84-L149 HydrophobicContact CG1-CD1 4.02Å |
| 85 | A | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T81 V82 R87 L89 E90 L98 F141 V145 | T81-A85 WeakPolarHBondContact O-CB 3.38Å; T81-A85 PolarHBondContact O-N 2.86Å; V82-A85 PolarHBondContact O-N 3.46Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.1Å; A85-L89 HydrophobicContact CB-CD1 4.17Å; A85-L89 WeakPolarHBondContact O-CA 3.38Å; A85-L89 VanDerWaalsContact O-CB 3.26Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 PolarHBondContact O-N 3.47Å; A85-E90 PolarHBondContact O-N 3.05Å; A85-E90 VanDerWaalsContact O-N 3.12Å; A85-L98 HydrophobicContact CB-CD1 4.23Å; A85-F141 HydrophobicContact CB-CE1 4.22Å; A85-F141 HydrophobicContact CB-CZ 4.11Å; A85-V145 HydrophobicContact CB-CG1 4.32Å; A85-V145 HydrophobicContact CB-CG2 3.81Å |
| 86 | G | 93.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V82 V83 V84 E90 | V82-G86 PolarHBondContact O-N 3.47Å; V83-G86 PolarHBondContact O-N 2.99Å; V84-G86 PolarHBondContact O-N 2.85Å; G86-E90 WeakPolarHBondContact O-CB 3.38Å |
| 87 | R | 92.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -86.5 | -38.8 | -177.9 | -76.3 | -175.1 | 153 | -133.7 | -16.8 | 114.2 | I15 V83 V84 A85 P91 | I15-R87 VanDerWaalsContact CA-NH2 3.29Å; I15-R87 VanDerWaalsContact CG2-NE 3.28Å; V83-R87 WeakPolarHBondContact O-CB 3.39Å; V83-R87 WeakPolarHBondContact O-CG 3.29Å; V83-R87 PolarHBondContact O-N 2.87Å; V84-R87 PolarHBondContact O-N 3.09Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.1Å; R87-P91 WeakPolarHBondContact O-CD 2.87Å; R87-P91 WeakPolarHBondContact O-CG 3.45Å |
| 88 | L | 91.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -100.2 | -30.1 | -170.5 | -58.4 | -174.6 | 0 | 0 | 0 | 112.5 | V84 L92 L149 M153 | V84-L88 HydrophobicContact CG1-CD1 3.85Å; V84-L88 HydrophobicContact CG1-CG 4.4Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 PolarHBondContact O-N 2.98Å; L88-L92 WeakPolarHBondContact O-CD1 3.28Å; L88-L149 HydrophobicContact CB-CD2 3.8Å; L88-L149 HydrophobicContact CD1-CD2 3.56Å; L88-L149 HydrophobicContact CG-CD2 4.33Å; L88-M153 HydrophobicContact CB-CE 4.21Å; L88-M153 HydrophobicContact CD1-CE 4.18Å; L88-M153 HydrophobicContact CD2-CE 3.97Å; L88-M153 HydrophobicContact CG-CE 4.35Å |
| 89 | L | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -37.1 | -176 | -53.5 | 176.9 | 0 | 0 | 0 | 112.2 | A85 L92 W93 L98 V145 A148 L149 T152 | A85-L89 HydrophobicContact CB-CD1 4.17Å; A85-L89 WeakPolarHBondContact O-CA 3.38Å; A85-L89 VanDerWaalsContact O-CB 3.26Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 PolarHBondContact O-N 3.47Å; L89-L92 WeakPolarHBondContact O-CB 3.14Å; L89-L92 PolarHBondContact O-N 2.72Å; L89-W93 HydrophobicContact CB-CD2 4.24Å; L89-W93 HydrophobicContact CB-CE3 3.97Å; L89-W93 HydrophobicContact CB-CH2 4.33Å; L89-W93 HydrophobicContact CB-CZ3 4.02Å; L89-W93 HydrophobicContact CD1-CH2 3.87Å; L89-W93 HydrophobicContact CD1-CZ3 3.94Å; L89-W93 HydrophobicContact CD2-CH2 4.21Å; L89-W93 HydrophobicContact CD2-CZ2 4.05Å; L89-W93 HydrophobicContact CG-CH2 4.36Å; L89-W93 HydrophobicContact CG-CZ3 4.45Å; L89-W93 PolarHBondContact O-N 2.87Å; L89-L98 HydrophobicContact CB-CD1 4.29Å; L89-V145 HydrophobicContact CD1-CG1 4.31Å; L89-A148 HydrophobicContact CD1-CB 3.58Å; L89-A148 HydrophobicContact CD2-CB 3.91Å; L89-A148 HydrophobicContact CG-CB 4.42Å; L89-L149 HydrophobicContact CD2-CD2 4.19Å; L89-T152 HydrophobicContact CD2-CG2 3.93Å |
| 90 | E | 92.2 | Very high | 93.2 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | -179 | -155.6 | -172.3 | 139.8 | 0 | 0 | 114.2 | S20 V23 A85 G86 L92 W93 G94 A95 L98 | S20-E90 WeakPolarHBondContact CB-OE1 3.32Å; S20-E90 WeakPolarHBondContact CB-OE2 3.44Å; S20-E90 PolarHBondContact OG-OE1 2.83Å; S20-E90 VanDerWaalsContact OG-OE1 3.11Å; S20-E90 PolarHBondContact OG-OE2 3.35Å; V23-E90 WeakPolarHBondContact CG2-OE2 3.33Å; A85-E90 PolarHBondContact O-N 3.05Å; A85-E90 VanDerWaalsContact O-N 3.12Å; G86-E90 WeakPolarHBondContact O-CB 3.38Å; E90-L92 PolarHBondContact O-N 3.49Å; E90-W93 PolarHBondContact O-N 3.44Å; E90-G94 WeakPolarHBondContact O-CA 2.96Å; E90-G94 PolarHBondContact O-N 3.19Å; E90-A95 HydrophobicContact CG-CB 4.19Å; E90-A95 WeakPolarHBondContact OE1-CB 3.19Å; E90-L98 HydrophobicContact CB-CD2 3.89Å; E90-L98 HydrophobicContact CG-CD2 4Å |
| 91 | P | 91.1 | Very high | 93.3 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.7 | -22.8 | 177.3 | -22.5 | 35.8 | 0 | 0 | 0 | 113.3 | R87 | R87-P91 WeakPolarHBondContact O-CD 2.87Å; R87-P91 WeakPolarHBondContact O-CG 3.45Å |
| 92 | L | 90.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 45 Ų | 45 | 55% | 0.55 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -86.7 | -36.2 | -178 | -59 | 177.3 | 0 | 0 | 0 | 112 | L88 L89 E90 T152 | L88-L92 WeakPolarHBondContact O-CD1 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.14Å; L89-L92 PolarHBondContact O-N 2.72Å; E90-L92 PolarHBondContact O-N 3.49Å; L92-T152 HydrophobicContact CD1-CG2 3.41Å; L92-T152 VanDerWaalsContact CD1-CG2 3.41Å |
| 93 | W | 89.9 | Confident | 93.3 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -108.8 | -23.5 | -172.8 | -54.9 | -19.2 | 0 | 0 | 0 | 113.5 | L89 E90 E97 L98 F101 A148 L205 | L89-W93 HydrophobicContact CB-CD2 4.24Å; L89-W93 HydrophobicContact CB-CE3 3.97Å; L89-W93 HydrophobicContact CB-CH2 4.33Å; L89-W93 HydrophobicContact CB-CZ3 4.02Å; L89-W93 HydrophobicContact CD1-CH2 3.87Å; L89-W93 HydrophobicContact CD1-CZ3 3.94Å; L89-W93 HydrophobicContact CD2-CH2 4.21Å; L89-W93 HydrophobicContact CD2-CZ2 4.05Å; L89-W93 HydrophobicContact CG-CH2 4.36Å; L89-W93 HydrophobicContact CG-CZ3 4.45Å; L89-W93 PolarHBondContact O-N 2.87Å; E90-W93 PolarHBondContact O-N 3.44Å; W93-E97 HydrophobicContact CB-CB 3.92Å; W93-E97 WeakPolarHBondContact O-CB 3.05Å; W93-L98 HydrophobicContact CE3-CD1 4.25Å; W93-L98 HydrophobicContact CZ3-CD1 4.23Å; W93-F101 HydrophobicContact CH2-CD1 4.34Å; W93-F101 HydrophobicContact CH2-CE1 4.42Å; W93-F101 HydrophobicContact CH2-CG 4.39Å; W93-F101 HydrophobicContact CZ3-CB 4.16Å; W93-F101 AromaticContact CZ3-CD1 3.79Å; W93-F101 HydrophobicContact CZ3-CD1 3.79Å; W93-F101 HydrophobicContact CZ3-CD2 4.38Å; W93-F101 HydrophobicContact CZ3-CE1 4.27Å; W93-F101 AromaticContact CZ3-CG 3.84Å; W93-F101 HydrophobicContact CZ3-CG 3.84Å; W93-A148 HydrophobicContact CH2-CB 3.46Å; W93-A148 VanDerWaalsContact CH2-CB 3.46Å; W93-A148 HydrophobicContact CZ2-CB 3.89Å; W93-L205 HydrophobicContact CH2-CD2 3.87Å; W93-L205 HydrophobicContact CZ2-CD2 3.97Å |
| 94 | G | 91.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | trans | 85.8 | 159.3 | -165 | 0 | 0 | 0 | 0 | 0 | 112.9 | E90 L96 L98 | E90-G94 WeakPolarHBondContact O-CA 2.96Å; E90-G94 PolarHBondContact O-N 3.19Å; G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 3.29Å; G94-L98 PolarHBondContact O-N 3.41Å; G94-L98 VanDerWaalsContact O-N 3.15Å | ||
| 95 | A | 93.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 46 Ų | 46 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V22 E90 L99 | V22-A95 HydrophobicContact CG2-CB 3.96Å; E90-A95 HydrophobicContact CG-CB 4.19Å; E90-A95 WeakPolarHBondContact OE1-CB 3.19Å; A95-L99 PolarHBondContact O-N 3.29Å; A95-L99 VanDerWaalsContact O-N 3.08Å |
| 96 | L | 93.2 | Very high | 93.7 | Very high | 117 Ų | 117 | 46 Ų | 46 | 61% | 0.613 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.3 | -49.2 | -178.8 | -170.7 | 164.5 | 0 | 0 | 0 | 111 | G94 L98 L99 I100 | G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 3.29Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.2Å; L96-L99 WeakPolarHBondContact O-CB 3.41Å; L96-L99 PolarHBondContact O-N 3.02Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L96-I100 HydrophobicContact CD2-CD1 3.32Å; L96-I100 HydrophobicContact CD2-CG1 3.87Å; L96-I100 PolarHBondContact O-N 2.81Å |
| 97 | E | 92.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 179 | -69.8 | -63.7 | 152.1 | 0 | 0 | 111.7 | W93 L99 I100 F101 | W93-E97 HydrophobicContact CB-CB 3.92Å; W93-E97 WeakPolarHBondContact O-CB 3.05Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.24Å; E97-I100 PolarHBondContact O-N 3.04Å; E97-F101 VanDerWaalsContact O-CB 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.43Å; E97-F101 PolarHBondContact O-N 2.95Å |
| 98 | L | 94.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 171.4 | -178.8 | 63.4 | 0 | 0 | 0 | 111.8 | A85 L89 E90 W93 G94 L96 F101 F102 | A85-L98 HydrophobicContact CB-CD1 4.23Å; L89-L98 HydrophobicContact CB-CD1 4.29Å; E90-L98 HydrophobicContact CB-CD2 3.89Å; E90-L98 HydrophobicContact CG-CD2 4Å; W93-L98 HydrophobicContact CE3-CD1 4.25Å; W93-L98 HydrophobicContact CZ3-CD1 4.23Å; G94-L98 PolarHBondContact O-N 3.41Å; G94-L98 VanDerWaalsContact O-N 3.15Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.2Å; L98-F101 PolarHBondContact O-N 2.85Å; L98-F102 WeakPolarHBondContact O-CB 3.48Å; L98-F102 PolarHBondContact O-N 3.07Å |
| 99 | L | 95.2 | Very high | 94.3 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68 | -39.7 | 176.6 | -176.5 | 64.6 | 0 | 0 | 0 | 112.1 | V22 A95 L96 E97 F101 F102 S103 | V22-L99 HydrophobicContact CG1-CB 4.21Å; V22-L99 HydrophobicContact CG1-CD1 4.16Å; A95-L99 PolarHBondContact O-N 3.29Å; A95-L99 VanDerWaalsContact O-N 3.08Å; L96-L99 WeakPolarHBondContact O-CB 3.41Å; L96-L99 PolarHBondContact O-N 3.02Å; L96-L99 VanDerWaalsContact O-N 3.08Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.24Å; L99-F101 VanDerWaalsContact C-N 3.35Å; L99-F102 PolarHBondContact O-N 3.01Å; L99-S103 WeakPolarHBondContact O-CB 3.28Å; L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 PolarHBondContact O-OG 3.38Å |
| 100 | I | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 172.4 | -69.1 | 176.1 | 0 | 0 | 0 | 109.4 | L96 E97 F102 S103 V104 Y204 | L96-I100 HydrophobicContact CD2-CD1 3.32Å; L96-I100 HydrophobicContact CD2-CG1 3.87Å; L96-I100 PolarHBondContact O-N 2.81Å; E97-I100 PolarHBondContact O-N 3.04Å; I100-F102 PolarHBondContact O-N 3.11Å; I100-S103 PolarHBondContact O-N 3.26Å; I100-S103 VanDerWaalsContact O-N 3.14Å; I100-V104 HydrophobicContact CG2-CG2 3.97Å; I100-V104 WeakPolarHBondContact O-CB 3.29Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.25Å; I100-V104 PolarHBondContact O-N 3.14Å; I100-Y204 WeakPolarHBondContact CG2-OH 3.09Å |
| 101 | F | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -48.7 | 178.5 | 175.1 | -105.8 | 0 | 0 | 0 | 111.7 | W93 E97 L98 L99 S103 V104 V105 F141 A148 S201 Y204 L205 | W93-F101 HydrophobicContact CH2-CD1 4.34Å; W93-F101 HydrophobicContact CH2-CE1 4.42Å; W93-F101 HydrophobicContact CH2-CG 4.39Å; W93-F101 HydrophobicContact CZ3-CB 4.16Å; W93-F101 AromaticContact CZ3-CD1 3.79Å; W93-F101 HydrophobicContact CZ3-CD1 3.79Å; W93-F101 HydrophobicContact CZ3-CD2 4.38Å; W93-F101 HydrophobicContact CZ3-CE1 4.27Å; W93-F101 AromaticContact CZ3-CG 3.84Å; W93-F101 HydrophobicContact CZ3-CG 3.84Å; E97-F101 VanDerWaalsContact O-CB 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.43Å; E97-F101 PolarHBondContact O-N 2.95Å; L98-F101 PolarHBondContact O-N 2.85Å; L99-F101 VanDerWaalsContact C-N 3.35Å; F101-S103 VanDerWaalsContact C-N 3.31Å; F101-S103 PolarHBondContact O-N 3.19Å; F101-V104 PolarHBondContact O-N 2.92Å; F101-V105 HydrophobicContact CD2-CG2 3.97Å; F101-V105 HydrophobicContact CE1-CG2 4.31Å; F101-V105 HydrophobicContact CE2-CG2 3.62Å; F101-V105 HydrophobicContact CG-CG2 4.47Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 WeakPolarHBondContact O-CB 3.5Å; F101-V105 VanDerWaalsContact O-CG2 3.29Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.45Å; F101-F141 AromaticContact CD1-CE2 3.77Å; F101-F141 HydrophobicContact CD1-CE2 3.77Å; F101-F141 HydrophobicContact CE1-CD2 4.39Å; F101-F141 AromaticContact CE1-CE2 3.75Å; F101-F141 HydrophobicContact CE1-CE2 3.75Å; F101-A148 HydrophobicContact CZ-CB 4.39Å; F101-S201 WeakPolarHBondContact CE2-OG 3.45Å; F101-S201 VanDerWaalsContact CZ-OG 3.24Å; F101-S201 WeakPolarHBondContact CZ-OG 3.48Å; F101-Y204 HydrophobicContact CB-CE1 4.32Å; F101-Y204 AromaticContact CD2-CD1 3.57Å; F101-Y204 HydrophobicContact CD2-CD1 3.57Å; F101-Y204 AromaticContact CD2-CE1 3.74Å; F101-Y204 HydrophobicContact CD2-CE1 3.74Å; F101-Y204 HydrophobicContact CE2-CD1 4.1Å; F101-L205 HydrophobicContact CD2-CD2 4.14Å; F101-L205 HydrophobicContact CE2-CD1 4.16Å; F101-L205 HydrophobicContact CE2-CD2 3.93Å; F101-L205 HydrophobicContact CE2-CG 4.01Å |
| 102 | F | 96.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.9 | -47.1 | 174.1 | 176.6 | -91.1 | 0 | 0 | 0 | 111.7 | L26 L67 L98 L99 I100 N106 F141 | L26-F102 HydrophobicContact CD1-CD2 4.28Å; L26-F102 HydrophobicContact CD1-CG 4.39Å; L26-F102 HydrophobicContact CD2-CD1 4.04Å; L26-F102 HydrophobicContact CD2-CE1 3.72Å; L26-F102 HydrophobicContact CD2-CE2 4.23Å; L26-F102 HydrophobicContact CD2-CG 4.44Å; L26-F102 HydrophobicContact CD2-CZ 3.84Å; L67-F102 HydrophobicContact CD2-CE1 4.25Å; L67-F102 HydrophobicContact CD2-CE2 4.36Å; L67-F102 HydrophobicContact CD2-CZ 3.53Å; L67-F102 HydrophobicContact CG-CE1 4.44Å; L67-F102 HydrophobicContact CG-CZ 3.95Å; L98-F102 WeakPolarHBondContact O-CB 3.48Å; L98-F102 PolarHBondContact O-N 3.07Å; L99-F102 PolarHBondContact O-N 3.01Å; I100-F102 PolarHBondContact O-N 3.11Å; F102-N106 WeakPolarHBondContact CD2-ND2 3.46Å; F102-N106 WeakPolarHBondContact CE1-ND2 3.37Å; F102-N106 WeakPolarHBondContact CE2-ND2 3.4Å; F102-N106 WeakPolarHBondContact CZ-ND2 3.31Å; F102-N106 WeakPolarHBondContact O-CB 3.23Å; F102-N106 PolarHBondContact O-N 3.45Å; F102-N106 PolarHBondContact O-ND2 2.85Å; F102-F141 HydrophobicContact CB-CD2 4.39Å; F102-F141 HydrophobicContact CB-CE2 3.87Å; F102-F141 HydrophobicContact CB-CZ 4.34Å; F102-F141 AromaticContact CD2-CD1 3.93Å; F102-F141 HydrophobicContact CD2-CD1 3.93Å; F102-F141 AromaticContact CD2-CD2 3.64Å; F102-F141 HydrophobicContact CD2-CD2 3.64Å; F102-F141 AromaticContact CD2-CE1 3.93Å; F102-F141 HydrophobicContact CD2-CE1 3.93Å; F102-F141 AromaticContact CD2-CE2 3.64Å; F102-F141 HydrophobicContact CD2-CE2 3.64Å; F102-F141 AromaticContact CD2-CG 3.79Å; F102-F141 HydrophobicContact CD2-CG 3.79Å; F102-F141 AromaticContact CD2-CZ 3.78Å; F102-F141 HydrophobicContact CD2-CZ 3.78Å; F102-F141 HydrophobicContact CE2-CD1 4.15Å; F102-F141 HydrophobicContact CE2-CD2 4.37Å; F102-F141 HydrophobicContact CE2-CE1 4.46Å; F102-F141 HydrophobicContact CE2-CG 4.1Å; F102-F141 HydrophobicContact CG-CD2 4.4Å; F102-F141 HydrophobicContact CG-CE2 4.23Å |
| 103 | S | 96.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 37% | 0.371 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -177.7 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | L99 I100 F101 V107 | L99-S103 WeakPolarHBondContact O-CB 3.28Å; L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 PolarHBondContact O-OG 3.38Å; I100-S103 PolarHBondContact O-N 3.26Å; I100-S103 VanDerWaalsContact O-N 3.14Å; F101-S103 VanDerWaalsContact C-N 3.31Å; F101-S103 PolarHBondContact O-N 3.19Å; S103-V107 VanDerWaalsContact O-CB 3.31Å; S103-V107 WeakPolarHBondContact O-CB 3.44Å; S103-V107 WeakPolarHBondContact O-CG2 3.4Å; S103-V107 PolarHBondContact O-N 2.93Å |
| 104 | V | 96.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -47.1 | -179.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I100 F101 S108 Y204 | I100-V104 HydrophobicContact CG2-CG2 3.97Å; I100-V104 WeakPolarHBondContact O-CB 3.29Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.25Å; I100-V104 PolarHBondContact O-N 3.14Å; F101-V104 PolarHBondContact O-N 2.92Å; V104-S108 WeakPolarHBondContact O-CB 3.43Å; V104-S108 PolarHBondContact O-N 3.37Å; V104-S108 PolarHBondContact O-OG 3.01Å; V104-S108 VanDerWaalsContact O-OG 3.05Å; V104-Y204 HydrophobicContact CB-CD2 4.35Å; V104-Y204 HydrophobicContact CB-CE2 4.36Å; V104-Y204 HydrophobicContact CG1-CD2 3.66Å; V104-Y204 HydrophobicContact CG1-CE2 4.1Å; V104-Y204 HydrophobicContact CG1-CG 4.24Å; V104-Y204 HydrophobicContact CG2-CE2 4.12Å |
| 105 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 179.3 | 173.4 | 0 | 0 | 0 | 0 | 110 | F101 S108 V109 | F101-V105 HydrophobicContact CD2-CG2 3.97Å; F101-V105 HydrophobicContact CE1-CG2 4.31Å; F101-V105 HydrophobicContact CE2-CG2 3.62Å; F101-V105 HydrophobicContact CG-CG2 4.47Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 WeakPolarHBondContact O-CB 3.5Å; F101-V105 VanDerWaalsContact O-CG2 3.29Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.45Å; V105-S108 PolarHBondContact O-N 2.89Å; V105-S108 PolarHBondContact O-OG 3.34Å; V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.42Å; V105-V109 VanDerWaalsContact O-CG2 3.25Å; V105-V109 WeakPolarHBondContact O-CG2 3.15Å; V105-V109 PolarHBondContact O-N 3.11Å |
| 106 | N | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -49.2 | -179.2 | -75.4 | -60.2 | 0 | 0 | 0 | 112.3 | H65 G66 F102 S108 V109 G110 | H65-N106 PolarHBondContact CE1-O 2.89Å; G66-N106 WeakPolarHBondContact CA-OD1 3.42Å; F102-N106 WeakPolarHBondContact CD2-ND2 3.46Å; F102-N106 WeakPolarHBondContact CE1-ND2 3.37Å; F102-N106 WeakPolarHBondContact CE2-ND2 3.4Å; F102-N106 WeakPolarHBondContact CZ-ND2 3.31Å; F102-N106 WeakPolarHBondContact O-CB 3.23Å; F102-N106 PolarHBondContact O-N 3.45Å; F102-N106 PolarHBondContact O-ND2 2.85Å; N106-S108 VanDerWaalsContact C-N 3.25Å; N106-S108 PolarHBondContact O-N 3.5Å; N106-V109 PolarHBondContact O-N 3.36Å; N106-V109 VanDerWaalsContact O-N 3.09Å; N106-G110 PolarHBondContact O-N 3.08Å |
| 107 | V | 96.9 | Very high | 95.9 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 35% | 0.345 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | L62 S103 G110 L111 | L62-V107 HydrophobicContact CB-CG1 4.47Å; L62-V107 HydrophobicContact CB-CG2 4.45Å; S103-V107 VanDerWaalsContact O-CB 3.31Å; S103-V107 WeakPolarHBondContact O-CB 3.44Å; S103-V107 WeakPolarHBondContact O-CG2 3.4Å; S103-V107 PolarHBondContact O-N 2.93Å; V107-G110 PolarHBondContact O-N 3.4Å; V107-L111 WeakPolarHBondContact O-CB 3.33Å; V107-L111 PolarHBondContact O-N 3.4Å |
| 108 | S | 96.5 | Very high | 96 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | V104 V105 N106 L111 L112 S200 | V104-S108 WeakPolarHBondContact O-CB 3.43Å; V104-S108 PolarHBondContact O-N 3.37Å; V104-S108 PolarHBondContact O-OG 3.01Å; V104-S108 VanDerWaalsContact O-OG 3.05Å; V105-S108 PolarHBondContact O-N 2.89Å; V105-S108 PolarHBondContact O-OG 3.34Å; N106-S108 VanDerWaalsContact C-N 3.25Å; N106-S108 PolarHBondContact O-N 3.5Å; S108-L111 PolarHBondContact O-N 3.38Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 WeakPolarHBondContact O-CD1 3.35Å; S108-L112 PolarHBondContact O-N 3.15Å; S108-S200 WeakPolarHBondContact OG-CB 3.48Å; S108-S200 PolarHBondContact OG-OG 2.83Å; S108-S200 VanDerWaalsContact OG-OG 3.1Å |
| 109 | V | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | V105 N106 G113 F196 | V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.42Å; V105-V109 VanDerWaalsContact O-CG2 3.25Å; V105-V109 WeakPolarHBondContact O-CG2 3.15Å; V105-V109 PolarHBondContact O-N 3.11Å; N106-V109 PolarHBondContact O-N 3.36Å; N106-V109 VanDerWaalsContact O-N 3.09Å; V109-G113 WeakPolarHBondContact O-CA 3.32Å; V109-G113 PolarHBondContact O-N 3.2Å; V109-F196 HydrophobicContact CG2-CB 4.36Å |
| 110 | G | 96 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N106 V107 A114 | N106-G110 PolarHBondContact O-N 3.08Å; V107-G110 PolarHBondContact O-N 3.4Å; G110-A114 WeakPolarHBondContact O-CB 3.49Å; G110-A114 PolarHBondContact O-N 2.9Å |
| 111 | L | 96 | Very high | 95.9 | Very high | 88 Ų | 88 | 35.1 Ų | 35.1 | 46% | 0.461 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.9 | -51.2 | -177.9 | -177.8 | 63.3 | 0 | 0 | 0 | 112.5 | L62 V107 S108 G113 A114 F115 | L62-L111 HydrophobicContact CD2-CB 4.47Å; V107-L111 WeakPolarHBondContact O-CB 3.33Å; V107-L111 PolarHBondContact O-N 3.4Å; S108-L111 PolarHBondContact O-N 3.38Å; L111-G113 VanDerWaalsContact C-N 3.32Å; L111-G113 PolarHBondContact O-N 3.08Å; L111-A114 PolarHBondContact O-N 3.43Å; L111-F115 WeakPolarHBondContact O-CB 3.46Å; L111-F115 PolarHBondContact O-N 3.45Å |
| 112 | L | 96.5 | Very high | 95.9 | Very high | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 179.3 | -84.1 | 71.4 | 0 | 0 | 0 | 110.7 | S108 F115 A116 F196 | S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 WeakPolarHBondContact O-CD1 3.35Å; S108-L112 PolarHBondContact O-N 3.15Å; L112-F115 PolarHBondContact O-N 3.34Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.97Å; L112-F196 HydrophobicContact CB-CB 4.37Å; L112-F196 HydrophobicContact CB-CD1 3.89Å; L112-F196 HydrophobicContact CB-CD2 4.34Å; L112-F196 HydrophobicContact CB-CE1 4.26Å; L112-F196 HydrophobicContact CB-CG 3.95Å; L112-F196 HydrophobicContact CD2-CD1 3.85Å; L112-F196 HydrophobicContact CD2-CE1 4.41Å |
| 113 | G | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V109 L111 F115 A116 Y117 | V109-G113 WeakPolarHBondContact O-CA 3.32Å; V109-G113 PolarHBondContact O-N 3.2Å; L111-G113 VanDerWaalsContact C-N 3.32Å; L111-G113 PolarHBondContact O-N 3.08Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 PolarHBondContact O-N 2.69Å; G113-A116 PolarHBondContact O-N 3.23Å; G113-Y117 VanDerWaalsContact O-CD2 3.23Å; G113-Y117 WeakPolarHBondContact O-CD2 3.1Å; G113-Y117 PolarHBondContact O-N 2.53Å |
| 114 | A | 95.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V47 P49 L52 G110 L111 Y117 L118 | V47-A114 HydrophobicContact CG1-CB 4.09Å; P49-A114 HydrophobicContact CB-CB 4.31Å; L52-A114 HydrophobicContact CD2-CB 3.43Å; L52-A114 VanDerWaalsContact CD2-CB 3.43Å; G110-A114 WeakPolarHBondContact O-CB 3.49Å; G110-A114 PolarHBondContact O-N 2.9Å; L111-A114 PolarHBondContact O-N 3.43Å; A114-Y117 PolarHBondContact O-N 2.83Å; A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 PolarHBondContact O-N 3.38Å |
| 115 | F | 95.2 | Very high | 95.6 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 50% | 0.496 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.2 | -173.7 | -109.9 | 0 | 0 | 0 | 112.4 | L111 L112 G113 Y117 L118 L119 | L111-F115 WeakPolarHBondContact O-CB 3.46Å; L111-F115 PolarHBondContact O-N 3.45Å; L112-F115 PolarHBondContact O-N 3.34Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 PolarHBondContact O-N 2.69Å; F115-Y117 PolarHBondContact O-N 2.84Å; F115-L118 HydrophobicContact CD2-CD2 4.44Å; F115-L118 WeakPolarHBondContact O-CB 2.82Å; F115-L118 PolarHBondContact O-N 3.29Å; F115-L119 HydrophobicContact CD1-CD1 4.02Å; F115-L119 HydrophobicContact CD1-CG 4.45Å; F115-L119 HydrophobicContact CE1-CD1 3.59Å; F115-L119 HydrophobicContact CE1-CG 4.13Å; F115-L119 HydrophobicContact CZ-CD1 4.07Å; F115-L119 HydrophobicContact CZ-CD2 4.19Å; F115-L119 HydrophobicContact CZ-CG 4.21Å; F115-L119 WeakPolarHBondContact O-CG 3.27Å; F115-L119 PolarHBondContact O-N 3.47Å |
| 116 | A | 95.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L112 G113 L119 T120 F196 | L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.97Å; G113-A116 PolarHBondContact O-N 3.23Å; A116-L119 PolarHBondContact O-N 2.94Å; A116-T120 PolarHBondContact O-N 3.39Å; A116-T120 PolarHBondContact O-OG1 3.01Å; A116-F196 HydrophobicContact CB-CE2 3.71Å; A116-F196 HydrophobicContact CB-CZ 3.58Å |
| 117 | Y | 95.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.9 | -31.4 | 174.7 | -78.6 | -62.9 | 0 | 0 | 0 | 113 | P49 G113 A114 F115 T120 Y121 Y129 V133 I135 S188 P189 A192 | P49-Y117 HydrophobicContact CG-CD2 4.17Å; P49-Y117 HydrophobicContact CG-CG 4.17Å; G113-Y117 VanDerWaalsContact O-CD2 3.23Å; G113-Y117 WeakPolarHBondContact O-CD2 3.1Å; G113-Y117 PolarHBondContact O-N 2.53Å; A114-Y117 PolarHBondContact O-N 2.83Å; F115-Y117 PolarHBondContact O-N 2.84Å; Y117-T120 PolarHBondContact O-N 3.44Å; Y117-Y121 WeakPolarHBondContact O-CB 3.41Å; Y117-Y121 PolarHBondContact O-N 2.72Å; Y117-Y129 AromaticContact CD1-CD1 3.95Å; Y117-Y129 HydrophobicContact CD1-CD1 3.95Å; Y117-Y129 HydrophobicContact CE1-CD1 4.19Å; Y117-V133 HydrophobicContact CD1-CG1 4.22Å; Y117-V133 HydrophobicContact CD2-CG1 4.06Å; Y117-V133 HydrophobicContact CE1-CG1 3.92Å; Y117-V133 HydrophobicContact CE1-CG2 4.43Å; Y117-V133 HydrophobicContact CE2-CG1 3.74Å; Y117-V133 HydrophobicContact CG-CG1 4.3Å; Y117-I135 HydrophobicContact CD2-CD1 3.93Å; Y117-I135 HydrophobicContact CD2-CG1 4.32Å; Y117-I135 HydrophobicContact CE2-CD1 4Å; Y117-I135 HydrophobicContact CE2-CG1 4.08Å; Y117-S188 WeakPolarHBondContact OH-CB 3.01Å; Y117-S188 PolarHBondContact OH-O 3.11Å; Y117-S188 PolarHBondContact OH-OG 3.2Å; Y117-P189 HydrophobicContact CE2-CB 4.4Å; Y117-P189 WeakPolarHBondContact OH-CA 3.38Å; Y117-A192 HydrophobicContact CE2-CB 4.38Å |
| 118 | L | 94.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 168.9 | 178.8 | 67.1 | 0 | 0 | 0 | 111 | F53 A114 F115 T120 Y121 M122 L130 | F53-L118 HydrophobicContact CD2-CD2 4.47Å; F53-L118 HydrophobicContact CE1-CD2 4.36Å; F53-L118 HydrophobicContact CE2-CB 4.06Å; F53-L118 HydrophobicContact CE2-CD1 4.42Å; F53-L118 HydrophobicContact CE2-CD2 3.85Å; F53-L118 HydrophobicContact CE2-CG 4.33Å; F53-L118 HydrophobicContact CZ-CB 4.46Å; F53-L118 HydrophobicContact CZ-CD2 3.79Å; A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 PolarHBondContact O-N 3.38Å; F115-L118 HydrophobicContact CD2-CD2 4.44Å; F115-L118 WeakPolarHBondContact O-CB 2.82Å; F115-L118 PolarHBondContact O-N 3.29Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 2.87Å; L118-Y121 HydrophobicContact CD1-CD1 4.42Å; L118-Y121 WeakPolarHBondContact O-CB 3.26Å; L118-Y121 PolarHBondContact O-N 3.45Å; L118-M122 HydrophobicContact CD1-CE 3.91Å; L118-M122 VanDerWaalsContact O-CG 3.32Å; L118-M122 WeakPolarHBondContact O-CG 3.34Å; L118-M122 PolarHBondContact O-N 3.19Å; L118-L130 HydrophobicContact CD1-CD2 4.02Å |
| 119 | L | 95.3 | Very high | 94.9 | Very high | 93 Ų | 93 | 59.6 Ų | 59.6 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176 | -67.7 | 177.7 | 0 | 0 | 0 | 112.1 | F115 A116 Y121 M122 A123 | F115-L119 HydrophobicContact CD1-CD1 4.02Å; F115-L119 HydrophobicContact CD1-CG 4.45Å; F115-L119 HydrophobicContact CE1-CD1 3.59Å; F115-L119 HydrophobicContact CE1-CG 4.13Å; F115-L119 HydrophobicContact CZ-CD1 4.07Å; F115-L119 HydrophobicContact CZ-CD2 4.19Å; F115-L119 HydrophobicContact CZ-CG 4.21Å; F115-L119 WeakPolarHBondContact O-CG 3.27Å; F115-L119 PolarHBondContact O-N 3.47Å; A116-L119 PolarHBondContact O-N 2.94Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 3.38Å; L119-M122 PolarHBondContact O-N 3.24Å; L119-A123 PolarHBondContact O-N 3.49Å |
| 120 | T | 94.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | A116 Y117 L118 A123 S124 Y129 | A116-T120 PolarHBondContact O-N 3.39Å; A116-T120 PolarHBondContact O-OG1 3.01Å; Y117-T120 PolarHBondContact O-N 3.44Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 2.87Å; T120-A123 PolarHBondContact O-N 3.06Å; T120-S124 WeakPolarHBondContact O-CB 3.11Å; T120-S124 PolarHBondContact O-N 3.4Å; T120-S124 PolarHBondContact O-OG 3.36Å; T120-Y129 HydrophobicContact CG2-CD1 3.97Å; T120-Y129 HydrophobicContact CG2-CD2 4Å; T120-Y129 HydrophobicContact CG2-CE1 3.93Å; T120-Y129 HydrophobicContact CG2-CE2 3.96Å; T120-Y129 HydrophobicContact CG2-CG 4Å |
| 121 | Y | 94.7 | Very high | 94.6 | Very high | 52 Ų | 52 | 64.5 Ų | 64.5 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 171.5 | 162.3 | -102.1 | 0 | 0 | 0 | 111.5 | Y117 L118 L119 A123 S124 F125 N126 L127 L130 | Y117-Y121 WeakPolarHBondContact O-CB 3.41Å; Y117-Y121 PolarHBondContact O-N 2.72Å; L118-Y121 HydrophobicContact CD1-CD1 4.42Å; L118-Y121 WeakPolarHBondContact O-CB 3.26Å; L118-Y121 PolarHBondContact O-N 3.45Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 3.38Å; Y121-A123 PolarHBondContact O-N 2.85Å; Y121-S124 PolarHBondContact O-N 3.5Å; Y121-F125 VanDerWaalsContact O-CA 3.25Å; Y121-F125 WeakPolarHBondContact O-CA 3.31Å; Y121-F125 PolarHBondContact O-N 2.93Å; Y121-N126 WeakPolarHBondContact CD2-O 3.39Å; Y121-L127 HydrophobicContact CE2-CD2 3.7Å; Y121-L127 HydrophobicContact CE2-CG 4.43Å; Y121-L130 HydrophobicContact CD1-CD1 3.53Å; Y121-L130 HydrophobicContact CD1-CD2 4.36Å; Y121-L130 HydrophobicContact CD1-CG 4.03Å; Y121-L130 HydrophobicContact CD2-CD1 3.77Å; Y121-L130 HydrophobicContact CD2-CG 3.94Å; Y121-L130 HydrophobicContact CE1-CD1 3.69Å; Y121-L130 HydrophobicContact CE2-CD1 3.95Å; Y121-L130 HydrophobicContact CG-CD1 3.54Å; Y121-L130 HydrophobicContact CG-CD2 4.18Å; Y121-L130 HydrophobicContact CG-CG 3.62Å |
| 122 | M | 94.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 64.4 Ų | 64.4 | 51% | 0.507 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 179.2 | -67 | -64.6 | 177.9 | 0 | 0 | 112.5 | L118 L119 F125 | L118-M122 HydrophobicContact CD1-CE 3.91Å; L118-M122 VanDerWaalsContact O-CG 3.32Å; L118-M122 WeakPolarHBondContact O-CG 3.34Å; L118-M122 PolarHBondContact O-N 3.19Å; L119-M122 PolarHBondContact O-N 3.24Å; M122-F125 WeakPolarHBondContact O-CE2 3.41Å |
| 123 | A | 95.8 | Very high | 94.2 | Very high | 86 Ų | 86 | 62.4 Ų | 62.4 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -80.7 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L119 T120 Y121 | L119-A123 PolarHBondContact O-N 3.49Å; T120-A123 PolarHBondContact O-N 3.06Å; Y121-A123 PolarHBondContact O-N 2.85Å |
| 124 | S | 94.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 67.6 Ų | 67.6 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -103.7 | -13.9 | -173.2 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | T120 Y121 N126 Y129 | T120-S124 WeakPolarHBondContact O-CB 3.11Å; T120-S124 PolarHBondContact O-N 3.4Å; T120-S124 PolarHBondContact O-OG 3.36Å; Y121-S124 PolarHBondContact O-N 3.5Å; S124-N126 PolarHBondContact O-N 2.84Å; S124-N126 PolarHBondContact OG-N 3.44Å; S124-Y129 VanDerWaalsContact OG-CD2 3.28Å; S124-Y129 WeakPolarHBondContact OG-CD2 3.34Å; S124-Y129 VanDerWaalsContact OG-CE2 3.27Å; S124-Y129 WeakPolarHBondContact OG-CE2 3.16Å |
| 125 | F | 93.4 | Very high | 94 | Very high | 158 Ų | 158 | 67.7 Ų | 67.7 | 69% | 0.693 | 35% | 0.352 | S | S | * | . | trans | 50.1 | 23 | -169.9 | -65.2 | -82.6 | 0 | 0 | 0 | 114.6 | Y121 M122 | Y121-F125 VanDerWaalsContact O-CA 3.25Å; Y121-F125 WeakPolarHBondContact O-CA 3.31Å; Y121-F125 PolarHBondContact O-N 2.93Å; M122-F125 WeakPolarHBondContact O-CE2 3.41Å | ||
| 126 | N | 93.5 | Very high | 94 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | trans | -100 | 113.6 | -177.4 | -169.9 | -20.7 | 0 | 0 | 0 | 111.7 | Y121 S124 V128 Y129 | Y121-N126 WeakPolarHBondContact CD2-O 3.39Å; S124-N126 PolarHBondContact O-N 2.84Å; S124-N126 PolarHBondContact OG-N 3.44Å; N126-V128 PolarHBondContact O-N 3.45Å; N126-V128 VanDerWaalsContact O-N 3.08Å; N126-V128 VanDerWaalsContact OD1-CB 3.31Å; N126-V128 WeakPolarHBondContact OD1-CB 3.24Å; N126-V128 WeakPolarHBondContact OD1-CG2 3.38Å; N126-V128 PolarHBondContact OD1-N 3.3Å; N126-Y129 HydrophobicContact CB-CD2 4Å; N126-Y129 HydrophobicContact CB-CE2 4.04Å; N126-Y129 WeakPolarHBondContact O-CD2 3.28Å; N126-Y129 PolarHBondContact O-N 2.84Å | ||
| 127 | L | 93.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.5 | -178.2 | -64.7 | 172.7 | 0 | 0 | 0 | 114.1 | Y121 Y129 L130 F131 | Y121-L127 HydrophobicContact CE2-CD2 3.7Å; Y121-L127 HydrophobicContact CE2-CG 4.43Å; L127-Y129 PolarHBondContact O-N 2.89Å; L127-L130 PolarHBondContact O-N 3.18Å; L127-F131 HydrophobicContact CB-CD2 4.32Å; L127-F131 HydrophobicContact CD2-CD2 4.38Å; L127-F131 HydrophobicContact CD2-CE2 4.09Å; L127-F131 PolarHBondContact O-N 2.83Å |
| 128 | V | 94 | Very high | 93.8 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55 | -38.6 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | N126 L130 T132 V133 | N126-V128 PolarHBondContact O-N 3.45Å; N126-V128 VanDerWaalsContact O-N 3.08Å; N126-V128 VanDerWaalsContact OD1-CB 3.31Å; N126-V128 WeakPolarHBondContact OD1-CB 3.24Å; N126-V128 WeakPolarHBondContact OD1-CG2 3.38Å; N126-V128 PolarHBondContact OD1-N 3.3Å; V128-L130 VanDerWaalsContact C-N 3.27Å; V128-L130 PolarHBondContact O-N 3.43Å; V128-T132 HydrophobicContact CG1-CG2 4.38Å; V128-T132 WeakPolarHBondContact O-CA 3.33Å; V128-T132 VanDerWaalsContact O-CB 3.27Å; V128-T132 WeakPolarHBondContact O-CB 3.39Å; V128-T132 PolarHBondContact O-N 3.37Å; V128-V133 PolarHBondContact O-N 3.03Å |
| 129 | Y | 92.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69 | -24.1 | -180 | -64.6 | -66.2 | 0 | 0 | 0 | 113.8 | Y117 T120 S124 N126 L127 V133 | Y117-Y129 AromaticContact CD1-CD1 3.95Å; Y117-Y129 HydrophobicContact CD1-CD1 3.95Å; Y117-Y129 HydrophobicContact CE1-CD1 4.19Å; T120-Y129 HydrophobicContact CG2-CD1 3.97Å; T120-Y129 HydrophobicContact CG2-CD2 4Å; T120-Y129 HydrophobicContact CG2-CE1 3.93Å; T120-Y129 HydrophobicContact CG2-CE2 3.96Å; T120-Y129 HydrophobicContact CG2-CG 4Å; S124-Y129 VanDerWaalsContact OG-CD2 3.28Å; S124-Y129 WeakPolarHBondContact OG-CD2 3.34Å; S124-Y129 VanDerWaalsContact OG-CE2 3.27Å; S124-Y129 WeakPolarHBondContact OG-CE2 3.16Å; N126-Y129 HydrophobicContact CB-CD2 4Å; N126-Y129 HydrophobicContact CB-CE2 4.04Å; N126-Y129 WeakPolarHBondContact O-CD2 3.28Å; N126-Y129 PolarHBondContact O-N 2.84Å; L127-Y129 PolarHBondContact O-N 2.89Å; Y129-V133 HydrophobicContact CD1-CG2 4.21Å |
| 130 | L | 92.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -91.1 | -43.9 | 179 | -70.3 | -176.7 | 0 | 0 | 0 | 112.8 | T48 P49 G50 L118 Y121 L127 V128 | T48-L130 WeakPolarHBondContact CG2-O 3.42Å; P49-L130 HydrophobicContact CB-CD2 4.17Å; G50-L130 WeakPolarHBondContact CA-O 3Å; G50-L130 PolarHBondContact N-O 3.22Å; L118-L130 HydrophobicContact CD1-CD2 4.02Å; Y121-L130 HydrophobicContact CD1-CD1 3.53Å; Y121-L130 HydrophobicContact CD1-CD2 4.36Å; Y121-L130 HydrophobicContact CD1-CG 4.03Å; Y121-L130 HydrophobicContact CD2-CD1 3.77Å; Y121-L130 HydrophobicContact CD2-CG 3.94Å; Y121-L130 HydrophobicContact CE1-CD1 3.69Å; Y121-L130 HydrophobicContact CE2-CD1 3.95Å; Y121-L130 HydrophobicContact CG-CD1 3.54Å; Y121-L130 HydrophobicContact CG-CD2 4.18Å; Y121-L130 HydrophobicContact CG-CG 3.62Å; L127-L130 PolarHBondContact O-N 3.18Å; V128-L130 VanDerWaalsContact C-N 3.27Å; V128-L130 PolarHBondContact O-N 3.43Å |
| 131 | F | 93 | Very high | 94 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 40% | 0.395 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -112.6 | -13.4 | -166.4 | -61.6 | -69.4 | 0 | 0 | 0 | 114.5 | Y51 L127 | Y51-F131 HydrophobicContact CD1-CD1 4.48Å; Y51-F131 HydrophobicContact CD1-CE1 4.39Å; Y51-F131 AromaticContact CE1-CD1 3.96Å; Y51-F131 HydrophobicContact CE1-CD1 3.96Å; Y51-F131 HydrophobicContact CE1-CE1 4.06Å; Y51-F131 HydrophobicContact CE2-CD1 4.45Å; Y51-F131 AromaticContact CZ-CD1 3.92Å; L127-F131 HydrophobicContact CB-CD2 4.32Å; L127-F131 HydrophobicContact CD2-CD2 4.38Å; L127-F131 HydrophobicContact CD2-CE2 4.09Å; L127-F131 PolarHBondContact O-N 2.83Å |
| 132 | T | 92 | Very high | 94.1 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -36.5 | -179.4 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | V128 R134 | V128-T132 HydrophobicContact CG1-CG2 4.38Å; V128-T132 WeakPolarHBondContact O-CA 3.33Å; V128-T132 VanDerWaalsContact O-CB 3.27Å; V128-T132 WeakPolarHBondContact O-CB 3.39Å; V128-T132 PolarHBondContact O-N 3.37Å; T132-R134 PolarHBondContact O-N 2.83Å |
| 133 | V | 93.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 13% | 0.127 | 26% | 0.26 | C | S | . | . | trans | -69.6 | 123.2 | 176.6 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | P49 Y117 V128 Y129 P189 | P49-V133 VanDerWaalsContact CD-O 3.22Å; P49-V133 WeakPolarHBondContact CD-O 3.4Å; Y117-V133 HydrophobicContact CD1-CG1 4.22Å; Y117-V133 HydrophobicContact CD2-CG1 4.06Å; Y117-V133 HydrophobicContact CE1-CG1 3.92Å; Y117-V133 HydrophobicContact CE1-CG2 4.43Å; Y117-V133 HydrophobicContact CE2-CG1 3.74Å; Y117-V133 HydrophobicContact CG-CG1 4.3Å; V128-V133 PolarHBondContact O-N 3.03Å; Y129-V133 HydrophobicContact CD1-CG2 4.21Å; V133-P189 HydrophobicContact CG1-CB 4.16Å; V133-P189 HydrophobicContact CG1-CG 4.23Å | ||
| 134 | R | 93.5 | Very high | 94.2 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | trans | -116.2 | 126.2 | 175.5 | -67.4 | -176 | -68.7 | -110 | 2 | 109.4 | A46 T132 | A46-R134 HydrophobicContact CB-CB 4.1Å; A46-R134 HydrophobicContact CB-CG 4.5Å; T132-R134 PolarHBondContact O-N 2.83Å | ||
| 135 | I | 94.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -94.8 | 121.1 | 171.6 | -51.9 | 173.4 | 0 | 0 | 0 | 107.3 | V47 H65 Y117 P189 | V47-I135 HydrophobicContact CB-CB 4.21Å; V47-I135 PolarHBondContact N-O 3.5Å; V47-I135 PolarHBondContact O-N 3.44Å; H65-I135 WeakPolarHBondContact CB-O 3.35Å; Y117-I135 HydrophobicContact CD2-CD1 3.93Å; Y117-I135 HydrophobicContact CD2-CG1 4.32Å; Y117-I135 HydrophobicContact CE2-CD1 4Å; Y117-I135 HydrophobicContact CE2-CG1 4.08Å; I135-P189 HydrophobicContact CG1-CB 4.13Å |
| 136 | H | 93.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | trans | -150.4 | 169.3 | 174.9 | 64.3 | 83.6 | 0 | 0 | 0 | 109.9 | A46 H65 M68 Q70 | A46-H136 HydrophobicContact CB-CB 4.05Å; H65-H136 WeakPolarHBondContact O-CA 3.41Å; M68-H136 HydrophobicContact CB-CB 4.37Å; M68-H136 HydrophobicContact CG-CB 4.49Å; M68-H136 PolarHBondContact O-ND1 2.92Å; Q70-H136 VanDerWaalsContact CD-CE1 3.47Å; Q70-H136 PolarHBondContact OE1-NE2 3.29Å | ||
| 137 | G | 93.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 94.8 | 157 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H65 M68 E69 L139 | H65-G137 PolarHBondContact O-N 2.95Å; M68-G137 VanDerWaalsContact O-CA 3.24Å; M68-G137 WeakPolarHBondContact O-CA 3.33Å; M68-G137 PolarHBondContact O-N 3.27Å; E69-G137 VanDerWaalsContact CD-CA 3.46Å; E69-G137 VanDerWaalsContact OE1-CA 3.28Å; E69-G137 WeakPolarHBondContact OE1-CA 3.49Å; E69-G137 WeakPolarHBondContact OE2-CA 3.37Å; G137-L139 PolarHBondContact O-N 3.49Å |
| 138 | A | 94 | Very high | 94.4 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G66 E69 G140 F141 L142 | G66-A138 WeakPolarHBondContact O-CA 3.26Å; G66-A138 WeakPolarHBondContact O-CB 3.23Å; G66-A138 PolarHBondContact O-N 3.3Å; E69-A138 PolarHBondContact OE1-N 3Å; A138-G140 VanDerWaalsContact C-N 3.28Å; A138-G140 PolarHBondContact O-N 2.88Å; A138-F141 CarbonylContact O-C 3.52Å; A138-F141 WeakPolarHBondContact O-CA 3.46Å; A138-F141 WeakPolarHBondContact O-CB 3.35Å; A138-F141 PolarHBondContact O-N 3.42Å; A138-L142 PolarHBondContact O-N 2.68Å |
| 139 | L | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 19% | 0.188 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -34.6 | -176.1 | -167.9 | 68.6 | 0 | 0 | 0 | 112.3 | G137 L142 G143 L177 A190 Y194 | G137-L139 PolarHBondContact O-N 3.49Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 WeakPolarHBondContact O-CB 3.24Å; L139-L142 PolarHBondContact O-N 3.49Å; L139-G143 PolarHBondContact O-N 2.97Å; L139-G143 VanDerWaalsContact O-N 3.11Å; L139-L177 HydrophobicContact CD2-CD1 4.35Å; L139-A190 HydrophobicContact CD2-CB 3.7Å; L139-A190 VanDerWaalsContact CD2-O 3.23Å; L139-A190 WeakPolarHBondContact CD2-O 3.49Å; L139-Y194 HydrophobicContact CD1-CD2 4.32Å; L139-Y194 HydrophobicContact CG-CD2 4.18Å; L139-Y194 WeakPolarHBondContact O-CD2 3.25Å |
| 140 | G | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A138 L142 G143 G144 S193 G197 | A138-G140 VanDerWaalsContact C-N 3.28Å; A138-G140 PolarHBondContact O-N 2.88Å; G140-L142 PolarHBondContact O-N 3.22Å; G140-G143 PolarHBondContact O-N 3.5Å; G140-G144 PolarHBondContact O-N 3.09Å; G140-S193 WeakPolarHBondContact CA-O 3.32Å; G140-G197 VanDerWaalsContact O-CA 3.31Å; G140-G197 WeakPolarHBondContact O-CA 3.3Å |
| 141 | F | 97 | Very high | 94.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | 174.6 | -176.7 | -113.5 | 0 | 0 | 0 | 112.3 | T81 V82 A85 F101 F102 A138 G143 G144 V145 | T81-F141 HydrophobicContact CG2-CD1 3.8Å; T81-F141 HydrophobicContact CG2-CE1 4.1Å; V82-F141 HydrophobicContact CG2-CE1 4.3Å; A85-F141 HydrophobicContact CB-CE1 4.22Å; A85-F141 HydrophobicContact CB-CZ 4.11Å; F101-F141 AromaticContact CD1-CE2 3.77Å; F101-F141 HydrophobicContact CD1-CE2 3.77Å; F101-F141 HydrophobicContact CE1-CD2 4.39Å; F101-F141 AromaticContact CE1-CE2 3.75Å; F101-F141 HydrophobicContact CE1-CE2 3.75Å; F102-F141 HydrophobicContact CB-CD2 4.39Å; F102-F141 HydrophobicContact CB-CE2 3.87Å; F102-F141 HydrophobicContact CB-CZ 4.34Å; F102-F141 AromaticContact CD2-CD1 3.93Å; F102-F141 HydrophobicContact CD2-CD1 3.93Å; F102-F141 AromaticContact CD2-CD2 3.64Å; F102-F141 HydrophobicContact CD2-CD2 3.64Å; F102-F141 AromaticContact CD2-CE1 3.93Å; F102-F141 HydrophobicContact CD2-CE1 3.93Å; F102-F141 AromaticContact CD2-CE2 3.64Å; F102-F141 HydrophobicContact CD2-CE2 3.64Å; F102-F141 AromaticContact CD2-CG 3.79Å; F102-F141 HydrophobicContact CD2-CG 3.79Å; F102-F141 AromaticContact CD2-CZ 3.78Å; F102-F141 HydrophobicContact CD2-CZ 3.78Å; F102-F141 HydrophobicContact CE2-CD1 4.15Å; F102-F141 HydrophobicContact CE2-CD2 4.37Å; F102-F141 HydrophobicContact CE2-CE1 4.46Å; F102-F141 HydrophobicContact CE2-CG 4.1Å; F102-F141 HydrophobicContact CG-CD2 4.4Å; F102-F141 HydrophobicContact CG-CE2 4.23Å; A138-F141 CarbonylContact O-C 3.52Å; A138-F141 WeakPolarHBondContact O-CA 3.46Å; A138-F141 WeakPolarHBondContact O-CB 3.35Å; A138-F141 PolarHBondContact O-N 3.42Å; F141-G143 PolarHBondContact O-N 2.9Å; F141-G144 CarbonylContact O-C 3.46Å; F141-G144 WeakPolarHBondContact O-CA 3.39Å; F141-G144 PolarHBondContact O-N 3.46Å; F141-V145 HydrophobicContact CD1-CG2 3.96Å; F141-V145 HydrophobicContact CD2-CG2 4.39Å; F141-V145 HydrophobicContact CE1-CG2 3.51Å; F141-V145 HydrophobicContact CE2-CG2 3.98Å; F141-V145 HydrophobicContact CG-CG2 4.38Å; F141-V145 HydrophobicContact CZ-CG2 3.52Å; F141-V145 WeakPolarHBondContact O-CG2 3.12Å; F141-V145 PolarHBondContact O-N 2.89Å |
| 142 | L | 96.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 20.8 Ų | 20.8 | 14% | 0.141 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 172 | 172.2 | 63.7 | 0 | 0 | 0 | 111.6 | I77 T81 A138 L139 G140 G144 V145 L146 L173 Y194 | I77-L142 HydrophobicContact CG2-CD2 3.95Å; T81-L142 HydrophobicContact CG2-CB 3.96Å; T81-L142 HydrophobicContact CG2-CD1 4Å; T81-L142 WeakPolarHBondContact OG1-CD1 3.44Å; A138-L142 PolarHBondContact O-N 2.68Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 WeakPolarHBondContact O-CB 3.24Å; L139-L142 PolarHBondContact O-N 3.49Å; G140-L142 PolarHBondContact O-N 3.22Å; L142-G144 PolarHBondContact O-N 3.01Å; L142-V145 PolarHBondContact O-N 3.27Å; L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 4.27Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.45Å; L142-L173 HydrophobicContact CD2-CD2 3.94Å; L142-L173 HydrophobicContact CG-CD2 4.44Å; L142-Y194 HydrophobicContact CG-CE2 4.43Å |
| 143 | G | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.5 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L139 G140 F141 L146 V147 | L139-G143 PolarHBondContact O-N 2.97Å; L139-G143 VanDerWaalsContact O-N 3.11Å; G140-G143 PolarHBondContact O-N 3.5Å; F141-G143 PolarHBondContact O-N 2.9Å; G143-L146 PolarHBondContact O-N 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.31Å; G143-V147 PolarHBondContact O-N 2.84Å |
| 144 | G | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G140 F141 L142 V147 A148 S201 | G140-G144 PolarHBondContact O-N 3.09Å; F141-G144 CarbonylContact O-C 3.46Å; F141-G144 WeakPolarHBondContact O-CA 3.39Å; F141-G144 PolarHBondContact O-N 3.46Å; L142-G144 PolarHBondContact O-N 3.01Å; G144-V147 PolarHBondContact O-N 2.98Å; G144-A148 PolarHBondContact O-N 3.1Å; G144-S201 WeakPolarHBondContact CA-OG 3.26Å; G144-S201 PolarHBondContact O-OG 3.45Å |
| 145 | V | 95.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | T81 A85 L89 F141 L142 V147 A148 L149 | T81-V145 HydrophobicContact CG2-CB 4.15Å; T81-V145 HydrophobicContact CG2-CG2 3.86Å; A85-V145 HydrophobicContact CB-CG1 4.32Å; A85-V145 HydrophobicContact CB-CG2 3.81Å; L89-V145 HydrophobicContact CD1-CG1 4.31Å; F141-V145 HydrophobicContact CD1-CG2 3.96Å; F141-V145 HydrophobicContact CD2-CG2 4.39Å; F141-V145 HydrophobicContact CE1-CG2 3.51Å; F141-V145 HydrophobicContact CE2-CG2 3.98Å; F141-V145 HydrophobicContact CG-CG2 4.38Å; F141-V145 HydrophobicContact CZ-CG2 3.52Å; F141-V145 WeakPolarHBondContact O-CG2 3.12Å; F141-V145 PolarHBondContact O-N 2.89Å; L142-V145 PolarHBondContact O-N 3.27Å; V145-V147 VanDerWaalsContact C-N 3.32Å; V145-V147 PolarHBondContact O-N 3.05Å; V145-A148 WeakPolarHBondContact O-CB 3.49Å; V145-A148 PolarHBondContact O-N 2.89Å; V145-L149 HydrophobicContact CG1-CD1 4.01Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.45Å; V145-L149 PolarHBondContact O-N 2.91Å |
| 146 | L | 94.9 | Very high | 90.3 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 177 | -69.6 | 173.4 | 0 | 0 | 0 | 112.1 | L142 G143 L149 K150 M169 P170 L173 Y194 | L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 4.27Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.45Å; G143-L146 PolarHBondContact O-N 3.27Å; L146-L149 PolarHBondContact O-N 3.22Å; L146-K150 PolarHBondContact O-N 3.27Å; L146-K150 VanDerWaalsContact O-N 3.1Å; L146-M169 HydrophobicContact CD2-CB 4.48Å; L146-P170 HydrophobicContact CB-CB 4.24Å; L146-P170 HydrophobicContact CB-CG 3.91Å; L146-L173 HydrophobicContact CD1-CD2 3.62Å; L146-Y194 HydrophobicContact CD1-CE2 4.21Å; L146-Y194 WeakPolarHBondContact CD1-OH 3.34Å |
| 147 | V | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | G143 G144 V145 K150 Q151 P170 L198 W202 L205 F222 F227 | G143-V147 WeakPolarHBondContact O-CG2 3.31Å; G143-V147 PolarHBondContact O-N 2.84Å; G144-V147 PolarHBondContact O-N 2.98Å; V145-V147 VanDerWaalsContact C-N 3.32Å; V145-V147 PolarHBondContact O-N 3.05Å; V147-K150 WeakPolarHBondContact O-CB 3.44Å; V147-K150 PolarHBondContact O-N 3.49Å; V147-Q151 PolarHBondContact O-N 3.35Å; V147-Q151 VanDerWaalsContact O-N 3.12Å; V147-P170 HydrophobicContact CG2-CB 4.31Å; V147-P170 HydrophobicContact CG2-CG 4.48Å; V147-L198 HydrophobicContact CG2-CB 4.39Å; V147-L198 HydrophobicContact CG2-CD2 4.49Å; V147-L198 HydrophobicContact CG2-CG 3.75Å; V147-W202 HydrophobicContact CG1-CB 4.01Å; V147-L205 HydrophobicContact CG1-CD1 3.97Å; V147-F222 HydrophobicContact CG1-CE2 3.96Å; V147-F222 HydrophobicContact CG1-CZ 3.81Å; V147-F227 HydrophobicContact CB-CE1 4.23Å; V147-F227 HydrophobicContact CG1-CE1 3.92Å; V147-F227 HydrophobicContact CG1-CZ 3.89Å; V147-F227 HydrophobicContact CG2-CE1 3.93Å |
| 148 | A | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L89 W93 F101 G144 V145 K150 Q151 T152 L205 | L89-A148 HydrophobicContact CD1-CB 3.58Å; L89-A148 HydrophobicContact CD2-CB 3.91Å; L89-A148 HydrophobicContact CG-CB 4.42Å; W93-A148 HydrophobicContact CH2-CB 3.46Å; W93-A148 VanDerWaalsContact CH2-CB 3.46Å; W93-A148 HydrophobicContact CZ2-CB 3.89Å; F101-A148 HydrophobicContact CZ-CB 4.39Å; G144-A148 PolarHBondContact O-N 3.1Å; V145-A148 WeakPolarHBondContact O-CB 3.49Å; V145-A148 PolarHBondContact O-N 2.89Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.41Å; A148-Q151 WeakPolarHBondContact O-CB 3.36Å; A148-Q151 PolarHBondContact O-N 3.4Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; A148-T152 WeakPolarHBondContact O-CG2 3.45Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.45Å; A148-L205 HydrophobicContact CB-CD1 3.95Å |
| 149 | L | 92.2 | Very high | 86 | Confident | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 176.4 | -72.6 | 174.5 | 0 | 0 | 0 | 112 | V84 L88 L89 V145 L146 Q151 T152 M153 V166 | V84-L149 HydrophobicContact CG1-CD1 4.02Å; L88-L149 HydrophobicContact CB-CD2 3.8Å; L88-L149 HydrophobicContact CD1-CD2 3.56Å; L88-L149 HydrophobicContact CG-CD2 4.33Å; L89-L149 HydrophobicContact CD2-CD2 4.19Å; V145-L149 HydrophobicContact CG1-CD1 4.01Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.45Å; V145-L149 PolarHBondContact O-N 2.91Å; L146-L149 PolarHBondContact O-N 3.22Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-T152 PolarHBondContact O-N 3.04Å; L149-T152 PolarHBondContact O-OG1 3.19Å; L149-M153 VanDerWaalsContact O-CB 3.26Å; L149-M153 WeakPolarHBondContact O-CB 3.38Å; L149-M153 PolarHBondContact O-N 3.47Å; L149-V166 HydrophobicContact CB-CG1 4.05Å |
| 150 | K | 90.6 | Very high | 84.6 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 170.6 | 175.8 | -175.6 | 174.9 | -179.6 | 0 | 111.6 | L146 V147 A148 T152 G154 V166 T226 F227 | L146-K150 PolarHBondContact O-N 3.27Å; L146-K150 VanDerWaalsContact O-N 3.1Å; V147-K150 WeakPolarHBondContact O-CB 3.44Å; V147-K150 PolarHBondContact O-N 3.49Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.41Å; K150-T152 VanDerWaalsContact C-N 3.28Å; K150-T152 PolarHBondContact O-N 2.8Å; K150-G154 VanDerWaalsContact O-CA 3.29Å; K150-G154 WeakPolarHBondContact O-CA 3.08Å; K150-G154 PolarHBondContact O-N 2.98Å; K150-V166 HydrophobicContact CB-CG1 4.44Å; K150-T226 PolarHBondContact NZ-O 3.29Å; K150-T226 PolarHBondContact NZ-OG1 3.32Å; K150-F227 HydrophobicContact CB-CE1 4.43Å; K150-F227 HydrophobicContact CD-CD1 3.59Å; K150-F227 HydrophobicContact CD-CD2 4.36Å; K150-F227 HydrophobicContact CD-CE1 3.31Å; K150-F227 HydrophobicContact CD-CE2 4.11Å; K150-F227 HydrophobicContact CD-CG 4.12Å; K150-F227 HydrophobicContact CD-CZ 3.59Å; K150-F227 HydrophobicContact CG-CE1 4.43Å; K150-F227 VanDerWaalsContact NZ-CA 3.27Å; K150-F227 VanDerWaalsContact NZ-CE2 3.29Å |
| 151 | Q | 88.9 | Confident | 83.1 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 179 | -168 | -171.8 | 22.2 | 0 | 0 | 111.8 | V147 A148 L149 F222 | V147-Q151 PolarHBondContact O-N 3.35Å; V147-Q151 VanDerWaalsContact O-N 3.12Å; A148-Q151 WeakPolarHBondContact O-CB 3.36Å; A148-Q151 PolarHBondContact O-N 3.4Å; A148-Q151 VanDerWaalsContact O-N 3.08Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-F222 HydrophobicContact CB-CD2 4.04Å; Q151-F222 HydrophobicContact CB-CE2 3.74Å; Q151-F222 HydrophobicContact CB-CZ 4.32Å; Q151-F222 HydrophobicContact CG-CD2 4.21Å; Q151-F222 HydrophobicContact CG-CE2 4.14Å; Q151-F222 HydrophobicContact CG-CZ 4.43Å |
| 152 | T | 87.3 | Confident | 81.4 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -89.7 | -39.6 | -174.1 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | L89 L92 A148 L149 K150 | L89-T152 HydrophobicContact CD2-CG2 3.93Å; L92-T152 HydrophobicContact CD1-CG2 3.41Å; L92-T152 VanDerWaalsContact CD1-CG2 3.41Å; A148-T152 WeakPolarHBondContact O-CG2 3.45Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.45Å; L149-T152 PolarHBondContact O-N 3.04Å; L149-T152 PolarHBondContact O-OG1 3.19Å; K150-T152 VanDerWaalsContact C-N 3.28Å; K150-T152 PolarHBondContact O-N 2.8Å |
| 153 | M | 80.9 | Confident | 80.1 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -98.9 | -11.1 | -175 | -57 | -66.9 | -178.2 | 0 | 0 | 113.3 | L88 L149 D155 C156 V166 | L88-M153 HydrophobicContact CB-CE 4.21Å; L88-M153 HydrophobicContact CD1-CE 4.18Å; L88-M153 HydrophobicContact CD2-CE 3.97Å; L88-M153 HydrophobicContact CG-CE 4.35Å; L149-M153 VanDerWaalsContact O-CB 3.26Å; L149-M153 WeakPolarHBondContact O-CB 3.38Å; L149-M153 PolarHBondContact O-N 3.47Å; M153-D155 PolarHBondContact O-N 3.39Å; M153-D155 VanDerWaalsContact O-N 3.12Å; M153-C156 HydrophobicContact CB-CB 4.31Å; M153-C156 PolarHBondContact O-N 3.48Å; M153-C156 PolarHBondContact O-SG 2.95Å; M153-V166 HydrophobicContact CB-CG2 4.45Å |
| 154 | G | 75.1 | Confident | 79 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -115.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K150 | K150-G154 VanDerWaalsContact O-CA 3.29Å; K150-G154 WeakPolarHBondContact O-CA 3.08Å; K150-G154 PolarHBondContact O-N 2.98Å |
| 155 | D | 70.1 | Confident | 78.3 | Confident | 110 Ų | 110 | 62 Ų | 62 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 25.8 | -173.2 | -74.1 | -47.4 | 0 | 0 | 0 | 114.4 | M153 V157 S167 | M153-D155 PolarHBondContact O-N 3.39Å; M153-D155 VanDerWaalsContact O-N 3.12Å; D155-V157 PolarHBondContact O-N 2.76Å; D155-S167 WeakPolarHBondContact OD1-CB 3.37Å; D155-S167 PolarHBondContact OD1-OG 2.92Å |
| 156 | C | 72.4 | Confident | 77.5 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | trans | -53.1 | 135.6 | 171.3 | -70 | 0 | 0 | 0 | 0 | 111.2 | M153 V158 V166 | M153-C156 HydrophobicContact CB-CB 4.31Å; M153-C156 PolarHBondContact O-N 3.48Å; M153-C156 PolarHBondContact O-SG 2.95Å; C156-V158 PolarHBondContact O-N 2.9Å; C156-V166 HydrophobicContact CB-CG2 4.06Å; C156-V166 WeakPolarHBondContact O-CG2 3.47Å; C156-V166 PolarHBondContact O-N 2.99Å | ||
| 157 | V | 68.1 | Low | 76.9 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 110.2 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | D155 L159 R165 | D155-V157 PolarHBondContact O-N 2.76Å; V157-L159 WeakPolarHBondContact CG1-O 3.38Å; V157-R165 HydrophobicContact CG2-CG 4.37Å |
| 158 | V | 62.8 | Low | 76.5 | Confident | 88 Ų | 88 | 63 Ų | 63 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -48.8 | -179.6 | -179 | 0 | 0 | 0 | 0 | 110.7 | C156 V164 V166 M169 | C156-V158 PolarHBondContact O-N 2.9Å; V158-V164 PolarHBondContact N-O 3.32Å; V158-V166 HydrophobicContact CG2-CB 4.25Å; V158-V166 HydrophobicContact CG2-CG2 3.17Å; V158-M169 HydrophobicContact CB-SD 4.11Å; V158-M169 HydrophobicContact CG1-CE 4.33Å; V158-M169 HydrophobicContact CG1-SD 4.39Å; V158-M169 HydrophobicContact CG2-SD 3.54Å; V158-M169 VanDerWaalsContact CG2-SD 3.54Å |
| 159 | L | 61.2 | Low | 76.2 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 45% | 0.445 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.2 | 179.7 | -170.5 | 62.6 | 0 | 0 | 0 | 108.2 | V157 V161 P162 Q163 V164 | V157-L159 WeakPolarHBondContact CG1-O 3.38Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 WeakPolarHBondContact CD2-O 3.47Å; L159-V161 WeakPolarHBondContact CG-O 3.35Å; L159-P162 CarbonylContact C-O 3.54Å; L159-P162 WeakPolarHBondContact CB-O 3.46Å; L159-P162 HydrophobicContact CD2-CG 4.13Å; L159-P162 WeakPolarHBondContact CG-O 3.2Å; L159-Q163 VanDerWaalsContact O-CA 3.26Å; L159-Q163 WeakPolarHBondContact O-CA 3.4Å; L159-V164 HydrophobicContact CB-CB 4.18Å; L159-V164 HydrophobicContact CB-CG2 4.45Å; L159-V164 HydrophobicContact CD2-CG2 4.42Å; L159-V164 PolarHBondContact N-O 3.25Å; L159-V164 PolarHBondContact O-N 3.23Å |
| 160 | R | 64.5 | Low | 76.3 | Confident | 194 Ų | 194 | 64.7 Ų | 64.7 | 73% | 0.732 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -27.8 | 178.8 | -172.3 | 132.6 | -76.3 | 178.9 | -4.1 | 111.7 | Q163 | R160-Q163 WeakPolarHBondContact O-CG 3.02Š|
| 161 | V | 65.4 | Low | 76.4 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 74% | 0.739 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.4 | 112.8 | 179.6 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | L159 | L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 WeakPolarHBondContact CD2-O 3.47Å; L159-V161 WeakPolarHBondContact CG-O 3.35Å |
| 162 | P | 60.7 | Low | 76.5 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 60% | 0.597 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -62.9 | 152.9 | -14.9 | 27 | -35 | 0 | 0 | 0 | 112 | L159 V164 | L159-P162 CarbonylContact C-O 3.54Å; L159-P162 WeakPolarHBondContact CB-O 3.46Å; L159-P162 HydrophobicContact CD2-CG 4.13Å; L159-P162 WeakPolarHBondContact CG-O 3.2Å; P162-V164 VanDerWaalsContact C-N 3.29Å; P162-V164 HydrophobicContact CG-CG2 4.24Å; P162-V164 PolarHBondContact O-N 3.12Å |
| 163 | Q | 69.9 | Low | 76.8 | Confident | 155 Ų | 155 | 68.7 Ų | 68.7 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 81.5 | 179.6 | -70.1 | -176 | -45.4 | 0 | 0 | 111.7 | L159 R160 | L159-Q163 VanDerWaalsContact O-CA 3.26Å; L159-Q163 WeakPolarHBondContact O-CA 3.4Å; R160-Q163 WeakPolarHBondContact O-CG 3.02Å |
| 164 | V | 73.2 | Confident | 77.5 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.4 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | V158 L159 P162 V168 M169 L172 | V158-V164 PolarHBondContact N-O 3.32Å; L159-V164 HydrophobicContact CB-CB 4.18Å; L159-V164 HydrophobicContact CB-CG2 4.45Å; L159-V164 HydrophobicContact CD2-CG2 4.42Å; L159-V164 PolarHBondContact N-O 3.25Å; L159-V164 PolarHBondContact O-N 3.23Å; P162-V164 VanDerWaalsContact C-N 3.29Å; P162-V164 HydrophobicContact CG-CG2 4.24Å; P162-V164 PolarHBondContact O-N 3.12Å; V164-V168 HydrophobicContact CG1-CG2 4.27Å; V164-M169 HydrophobicContact CG1-CG 3.85Å; V164-L172 HydrophobicContact CG1-CD2 4.1Å; V164-L172 HydrophobicContact CG2-CD2 4.48Å |
| 165 | R | 81.7 | Confident | 78.4 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 143.5 | 172.9 | -63.2 | -173.6 | -67.8 | -108.9 | 12.4 | 110.2 | V157 S167 V168 M169 E230 | V157-R165 HydrophobicContact CG2-CG 4.37Å; R165-S167 WeakPolarHBondContact CB-OG 3.19Å; R165-S167 PolarHBondContact O-N 2.88Å; R165-S167 VanDerWaalsContact O-N 3.12Å; R165-V168 HydrophobicContact CB-CG2 4.47Å; R165-V168 VanDerWaalsContact O-CG2 3.28Å; R165-V168 WeakPolarHBondContact O-CG2 3.3Å; R165-V168 PolarHBondContact O-N 2.86Å; R165-M169 WeakPolarHBondContact O-CG 2.99Å; R165-E230 IonicContact CZ-OE1 3.22Å; R165-E230 IonicContact NH1-OE1 3.39Å; R165-E230 IonicContact NH2-OE1 2.64Å; R165-E230 PolarHBondContact NH2-OE1 3.31Å |
| 166 | V | 80.1 | Confident | 79.6 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -50.8 | -37.6 | 173 | 179 | 0 | 0 | 0 | 0 | 110.6 | L149 K150 M153 C156 V158 V168 M169 P170 | L149-V166 HydrophobicContact CB-CG1 4.05Å; K150-V166 HydrophobicContact CB-CG1 4.44Å; M153-V166 HydrophobicContact CB-CG2 4.45Å; C156-V166 HydrophobicContact CB-CG2 4.06Å; C156-V166 WeakPolarHBondContact O-CG2 3.47Å; C156-V166 PolarHBondContact O-N 2.99Å; V158-V166 HydrophobicContact CG2-CB 4.25Å; V158-V166 HydrophobicContact CG2-CG2 3.17Å; V166-V168 VanDerWaalsContact C-N 3.26Å; V166-V168 PolarHBondContact O-N 3.5Å; V166-M169 WeakPolarHBondContact O-CB 3.41Å; V166-M169 PolarHBondContact O-N 3.39Å; V166-M169 VanDerWaalsContact O-N 3.14Å; V166-P170 WeakPolarHBondContact O-CD 3.35Å |
| 167 | S | 81.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -57.8 | -31.2 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | D155 R165 | D155-S167 WeakPolarHBondContact OD1-CB 3.37Å; D155-S167 PolarHBondContact OD1-OG 2.92Å; R165-S167 WeakPolarHBondContact CB-OG 3.19Å; R165-S167 PolarHBondContact O-N 2.88Å; R165-S167 VanDerWaalsContact O-N 3.12Å |
| 168 | V | 86.1 | Confident | 81.9 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -99 | -10.8 | 180 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | V164 R165 V166 P170 M171 L172 | V164-V168 HydrophobicContact CG1-CG2 4.27Å; R165-V168 HydrophobicContact CB-CG2 4.47Å; R165-V168 VanDerWaalsContact O-CG2 3.28Å; R165-V168 WeakPolarHBondContact O-CG2 3.3Å; R165-V168 PolarHBondContact O-N 2.86Å; V166-V168 VanDerWaalsContact C-N 3.26Å; V166-V168 PolarHBondContact O-N 3.5Å; V168-P170 VanDerWaalsContact C-CD 3.46Å; V168-M171 PolarHBondContact O-N 3.37Å; V168-L172 WeakPolarHBondContact O-CB 3.35Å; V168-L172 PolarHBondContact O-N 2.81Å |
| 169 | M | 88.3 | Confident | 83.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.2 | -43.5 | -176.7 | -64.5 | -175.1 | 83.1 | 0 | 0 | 114.1 | L146 V158 V164 R165 V166 M171 L172 L173 | L146-M169 HydrophobicContact CD2-CB 4.48Å; V158-M169 HydrophobicContact CB-SD 4.11Å; V158-M169 HydrophobicContact CG1-CE 4.33Å; V158-M169 HydrophobicContact CG1-SD 4.39Å; V158-M169 HydrophobicContact CG2-SD 3.54Å; V158-M169 VanDerWaalsContact CG2-SD 3.54Å; V164-M169 HydrophobicContact CG1-CG 3.85Å; R165-M169 WeakPolarHBondContact O-CG 2.99Å; V166-M169 WeakPolarHBondContact O-CB 3.41Å; V166-M169 PolarHBondContact O-N 3.39Å; V166-M169 VanDerWaalsContact O-N 3.14Å; M169-M171 VanDerWaalsContact C-N 3.29Å; M169-M171 PolarHBondContact O-N 3.14Å; M169-L172 PolarHBondContact O-N 3.48Å; M169-L173 WeakPolarHBondContact O-CB 3.32Å; M169-L173 PolarHBondContact O-N 3.47Å |
| 170 | P | 92.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.1 | -42.6 | -179 | -22.1 | 30.7 | 0 | 0 | 0 | 112.4 | L146 V147 V166 V168 L174 Y194 L198 F227 | L146-P170 HydrophobicContact CB-CB 4.24Å; L146-P170 HydrophobicContact CB-CG 3.91Å; V147-P170 HydrophobicContact CG2-CB 4.31Å; V147-P170 HydrophobicContact CG2-CG 4.48Å; V166-P170 WeakPolarHBondContact O-CD 3.35Å; V168-P170 VanDerWaalsContact C-CD 3.46Å; P170-L174 PolarHBondContact O-N 2.88Å; P170-L174 VanDerWaalsContact O-N 3.09Å; P170-Y194 WeakPolarHBondContact CA-OH 3.37Å; P170-Y194 WeakPolarHBondContact O-CE1 3.4Å; P170-Y194 PolarHBondContact O-OH 3.09Å; P170-L198 HydrophobicContact CB-CD1 3.63Å; P170-L198 HydrophobicContact CB-CG 4.4Å; P170-F227 HydrophobicContact CB-CD1 4.14Å; P170-F227 HydrophobicContact CG-CD1 3.92Å; P170-F227 HydrophobicContact CG-CE1 4.17Å |
| 171 | M | 92.6 | Very high | 86.5 | Confident | 20 Ų | 20 | 61 Ų | 61 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -83.2 | -32.2 | -177.5 | -65.2 | -56.5 | -50 | 0 | 0 | 112.8 | V168 M169 L173 L174 A175 L198 F227 F228 | V168-M171 PolarHBondContact O-N 3.37Å; M169-M171 VanDerWaalsContact C-N 3.29Å; M169-M171 PolarHBondContact O-N 3.14Å; M171-L173 VanDerWaalsContact C-N 3.32Å; M171-L174 HydrophobicContact CE-CB 4.36Å; M171-L174 HydrophobicContact CE-CD2 3.49Å; M171-L174 VanDerWaalsContact CE-CD2 3.49Å; M171-L174 WeakPolarHBondContact O-CB 3.49Å; M171-L174 PolarHBondContact O-N 3.27Å; M171-L174 HydrophobicContact SD-CD2 4.15Å; M171-A175 WeakPolarHBondContact O-CB 3.31Å; M171-A175 PolarHBondContact O-N 3.43Å; M171-L198 HydrophobicContact SD-CD1 3.91Å; M171-L198 HydrophobicContact SD-CD2 4.28Å; M171-F227 WeakPolarHBondContact CB-O 3.33Å; M171-F227 HydrophobicContact CG-CB 3.58Å; M171-F227 WeakPolarHBondContact CG-O 3.34Å; M171-F227 HydrophobicContact SD-CB 4.46Å; M171-F228 HydrophobicContact CE-CD1 4.18Å; M171-F228 HydrophobicContact CE-CE1 3.42Å; M171-F228 VanDerWaalsContact CE-CE1 3.42Å; M171-F228 HydrophobicContact CE-CE2 3.89Å; M171-F228 HydrophobicContact CE-CZ 3.24Å; M171-F228 HydrophobicContact CG-CD2 4.29Å; M171-F228 HydrophobicContact CG-CE2 4.24Å; M171-F228 HydrophobicContact CG-CZ 4.46Å; M171-F228 HydrophobicContact SD-CE2 4.09Å; M171-F228 HydrophobicContact SD-CZ 4.04Å |
| 172 | L | 91.9 | Very high | 87.9 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 172.6 | -176.6 | 65.3 | 0 | 0 | 0 | 110.8 | V164 V168 M169 A175 L176 | V164-L172 HydrophobicContact CG1-CD2 4.1Å; V164-L172 HydrophobicContact CG2-CD2 4.48Å; V168-L172 WeakPolarHBondContact O-CB 3.35Å; V168-L172 PolarHBondContact O-N 2.81Å; M169-L172 PolarHBondContact O-N 3.48Å; L172-A175 PolarHBondContact O-N 2.87Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 PolarHBondContact O-N 2.95Å |
| 173 | L | 93.3 | Very high | 89.5 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 174.7 | 179.7 | 59 | 0 | 0 | 0 | 111.6 | L142 L146 M169 M171 A175 L176 L177 Y194 | L142-L173 HydrophobicContact CD2-CD2 3.94Å; L142-L173 HydrophobicContact CG-CD2 4.44Å; L146-L173 HydrophobicContact CD1-CD2 3.62Å; M169-L173 WeakPolarHBondContact O-CB 3.32Å; M169-L173 PolarHBondContact O-N 3.47Å; M171-L173 VanDerWaalsContact C-N 3.32Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 3.22Å; L173-L176 HydrophobicContact CD1-CD2 4.21Å; L173-L176 PolarHBondContact O-N 3.38Å; L173-L177 HydrophobicContact CD1-CD1 4.41Å; L173-L177 HydrophobicContact CD1-CG 4.11Å; L173-L177 HydrophobicContact CG-CD1 4.23Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.12Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.41Å; L173-L177 PolarHBondContact O-N 3.37Å; L173-Y194 WeakPolarHBondContact CB-OH 3.47Å; L173-Y194 HydrophobicContact CD2-CD2 4.35Å; L173-Y194 HydrophobicContact CD2-CE2 3.46Å; L173-Y194 VanDerWaalsContact CD2-CE2 3.46Å; L173-Y194 HydrophobicContact CG-CE1 4.4Å; L173-Y194 HydrophobicContact CG-CE2 3.91Å |
| 174 | L | 95.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 171.9 | -172.8 | 64.2 | 0 | 0 | 0 | 111.2 | P170 M171 L177 L178 L191 Y194 | P170-L174 PolarHBondContact O-N 2.88Å; P170-L174 VanDerWaalsContact O-N 3.09Å; M171-L174 HydrophobicContact CE-CB 4.36Å; M171-L174 HydrophobicContact CE-CD2 3.49Å; M171-L174 VanDerWaalsContact CE-CD2 3.49Å; M171-L174 WeakPolarHBondContact O-CB 3.49Å; M171-L174 PolarHBondContact O-N 3.27Å; M171-L174 HydrophobicContact SD-CD2 4.15Å; L174-L177 PolarHBondContact O-N 3.03Å; L174-L178 WeakPolarHBondContact O-CB 3.36Å; L174-L178 PolarHBondContact O-N 3.43Å; L174-L191 HydrophobicContact CD1-CD1 3.97Å; L174-Y194 HydrophobicContact CB-CD1 4.24Å; L174-Y194 HydrophobicContact CB-CE1 3.78Å; L174-Y194 HydrophobicContact CD1-CD1 3.64Å; L174-Y194 HydrophobicContact CD1-CE1 4.07Å |
| 175 | A | 94.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M171 L172 L173 L178 L179 | M171-A175 WeakPolarHBondContact O-CB 3.31Å; M171-A175 PolarHBondContact O-N 3.43Å; L172-A175 PolarHBondContact O-N 2.87Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 3.22Å; A175-L178 WeakPolarHBondContact O-CB 3.43Å; A175-L178 PolarHBondContact O-N 3.01Å; A175-L179 VanDerWaalsContact O-CG 3.3Å; A175-L179 WeakPolarHBondContact O-CG 3.32Å; A175-L179 PolarHBondContact O-N 3.31Å |
| 176 | L | 94.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 60 Ų | 60 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.8 | 178.6 | 62.9 | 0 | 0 | 0 | 111.8 | L172 L173 L178 L179 L180 | L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 PolarHBondContact O-N 2.95Å; L173-L176 HydrophobicContact CD1-CD2 4.21Å; L173-L176 PolarHBondContact O-N 3.38Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 2.96Å; L176-L179 PolarHBondContact O-N 3.03Å; L176-L180 HydrophobicContact CD1-CG 4.49Å; L176-L180 HydrophobicContact CG-CD1 4.28Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.26Å |
| 177 | L | 95 | Very high | 92.1 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.5 | -68.6 | 175.4 | 0 | 0 | 0 | 111.7 | L139 L173 L174 L180 R181 L186 L191 Y194 | L139-L177 HydrophobicContact CD2-CD1 4.35Å; L173-L177 HydrophobicContact CD1-CD1 4.41Å; L173-L177 HydrophobicContact CD1-CG 4.11Å; L173-L177 HydrophobicContact CG-CD1 4.23Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.12Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.41Å; L173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.03Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-R181 WeakPolarHBondContact O-CB 3.49Å; L177-R181 PolarHBondContact O-N 3.45Å; L177-L186 HydrophobicContact CB-CD2 3.89Å; L177-L186 HydrophobicContact CD2-CD1 4.43Å; L177-L186 HydrophobicContact CD2-CD2 3.8Å; L177-L186 HydrophobicContact CG-CD2 4.4Å; L177-L186 WeakPolarHBondContact O-CD2 3.41Å; L177-L191 HydrophobicContact CB-CD1 3.94Å; L177-Y194 HydrophobicContact CD1-CD1 3.7Å; L177-Y194 HydrophobicContact CD1-CD2 3.82Å; L177-Y194 HydrophobicContact CD1-CE1 4.34Å; L177-Y194 HydrophobicContact CD1-CE2 4.44Å; L177-Y194 HydrophobicContact CD1-CG 3.41Å; L177-Y194 VanDerWaalsContact CD1-CG 3.41Å |
| 178 | L | 95.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 173.3 | 179.8 | 63.5 | 0 | 0 | 0 | 110.7 | L174 A175 L176 L180 R181 L182 L191 | L174-L178 WeakPolarHBondContact O-CB 3.36Å; L174-L178 PolarHBondContact O-N 3.43Å; A175-L178 WeakPolarHBondContact O-CB 3.43Å; A175-L178 PolarHBondContact O-N 3.01Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 2.96Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.43Å; L178-R181 WeakPolarHBondContact O-CA 3.41Å; L178-R181 WeakPolarHBondContact O-CB 3.46Å; L178-R181 PolarHBondContact O-N 3.37Å; L178-R181 VanDerWaalsContact O-N 3.09Å; L178-L182 HydrophobicContact CD1-CD1 3.58Å; L178-L182 HydrophobicContact CG-CD1 3.67Å; L178-L182 WeakPolarHBondContact O-CD1 3.5Å; L178-L182 PolarHBondContact O-N 3.01Å; L178-L191 HydrophobicContact CB-CD1 4.31Å; L178-L191 HydrophobicContact CD1-CD2 3.84Å |
| 179 | L | 96.2 | Very high | 92.8 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 176.8 | -70.7 | 171.6 | 0 | 0 | 0 | 112.2 | A175 L176 R181 L182 A183 | A175-L179 VanDerWaalsContact O-CG 3.3Å; A175-L179 WeakPolarHBondContact O-CG 3.32Å; A175-L179 PolarHBondContact O-N 3.31Å; L176-L179 PolarHBondContact O-N 3.03Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 2.93Å; L179-L182 PolarHBondContact O-N 3.44Å; L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 2.92Å |
| 180 | L | 95 | Very high | 93 | Very high | 59 Ų | 59 | 64.8 Ų | 64.8 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 175 | -69.7 | 172.3 | 0 | 0 | 0 | 111.9 | L176 L177 L178 A183 T184 L185 L186 | L176-L180 HydrophobicContact CD1-CG 4.49Å; L176-L180 HydrophobicContact CG-CD1 4.28Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 3.49Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.43Å; L180-A183 CarbonylContact O-C 3.51Å; L180-A183 PolarHBondContact O-N 3.31Å; L180-T184 PolarHBondContact O-N 3.28Å; L180-L185 HydrophobicContact CD2-CB 4.37Å; L180-L185 HydrophobicContact CD2-CD2 4.27Å; L180-L185 PolarHBondContact O-N 3.41Å; L180-L186 HydrophobicContact CB-CB 3.93Å; L180-L186 PolarHBondContact O-N 3.47Å |
| 181 | R | 93.1 | Very high | 93.1 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 173.9 | 175.3 | 59.7 | -170.2 | 97.3 | -4.5 | 112 | L177 L178 L179 A183 T184 L186 L191 | L177-R181 WeakPolarHBondContact O-CB 3.49Å; L177-R181 PolarHBondContact O-N 3.45Å; L178-R181 WeakPolarHBondContact O-CA 3.41Å; L178-R181 WeakPolarHBondContact O-CB 3.46Å; L178-R181 PolarHBondContact O-N 3.37Å; L178-R181 VanDerWaalsContact O-N 3.09Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 2.93Å; R181-A183 VanDerWaalsContact C-N 3.29Å; R181-A183 PolarHBondContact O-N 3.14Å; R181-T184 WeakPolarHBondContact O-CA 2.8Å; R181-T184 PolarHBondContact O-N 2.91Å; R181-L186 HydrophobicContact CB-CB 4.32Å; R181-L186 WeakPolarHBondContact CD-O 3.34Å; R181-L191 HydrophobicContact CB-CD2 4.13Å; R181-L191 HydrophobicContact CG-CD2 4.07Å |
| 182 | L | 94.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 66.5 Ų | 66.5 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.8 | -38.2 | 174.8 | -87.3 | 87.1 | 0 | 0 | 0 | 111.3 | L178 L179 T184 | L178-L182 HydrophobicContact CD1-CD1 3.58Å; L178-L182 HydrophobicContact CG-CD1 3.67Å; L178-L182 WeakPolarHBondContact O-CD1 3.5Å; L178-L182 PolarHBondContact O-N 3.01Å; L179-L182 PolarHBondContact O-N 3.44Å; L182-T184 PolarHBondContact O-N 3.46Å |
| 183 | A | 95.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 62 Ų | 62 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L179 L180 R181 L185 | L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 2.92Å; L180-A183 CarbonylContact O-C 3.51Å; L180-A183 PolarHBondContact O-N 3.31Å; R181-A183 VanDerWaalsContact C-N 3.29Å; R181-A183 PolarHBondContact O-N 3.14Å; A183-L185 HydrophobicContact CB-CD1 3.96Å; A183-L185 WeakPolarHBondContact O-CD1 3.33Å; A183-L185 PolarHBondContact O-N 2.82Å |
| 184 | T | 90.3 | Very high | 93.5 | Very high | 113 Ų | 113 | 60 Ų | 60 | 69% | 0.693 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 13.2 | -177.1 | 68.2 | 0 | 0 | 0 | 0 | 115.6 | L180 R181 L182 | L180-T184 PolarHBondContact O-N 3.28Å; R181-T184 WeakPolarHBondContact O-CA 2.8Å; R181-T184 PolarHBondContact O-N 2.91Å; L182-T184 PolarHBondContact O-N 3.46Å |
| 185 | L | 89.5 | Confident | 93.6 | Very high | 133 Ų | 133 | 59 Ų | 59 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | trans | -81.3 | -18.1 | 176.4 | -88.1 | 68 | 0 | 0 | 0 | 112.9 | L180 A183 | L180-L185 HydrophobicContact CD2-CB 4.37Å; L180-L185 HydrophobicContact CD2-CD2 4.27Å; L180-L185 PolarHBondContact O-N 3.41Å; A183-L185 HydrophobicContact CB-CD1 3.96Å; A183-L185 WeakPolarHBondContact O-CD1 3.33Å; A183-L185 PolarHBondContact O-N 2.82Å | ||
| 186 | L | 89.3 | Confident | 93.7 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -116.4 | 137.1 | -178.9 | -169.6 | 73.2 | 0 | 0 | 0 | 111.4 | L177 L180 R181 A190 L191 | L177-L186 HydrophobicContact CB-CD2 3.89Å; L177-L186 HydrophobicContact CD2-CD1 4.43Å; L177-L186 HydrophobicContact CD2-CD2 3.8Å; L177-L186 HydrophobicContact CG-CD2 4.4Å; L177-L186 WeakPolarHBondContact O-CD2 3.41Å; L180-L186 HydrophobicContact CB-CB 3.93Å; L180-L186 PolarHBondContact O-N 3.47Å; R181-L186 HydrophobicContact CB-CB 4.32Å; R181-L186 WeakPolarHBondContact CD-O 3.34Å; L186-A190 HydrophobicContact CD1-CB 3.8Å; L186-A190 HydrophobicContact CD2-CB 4.19Å; L186-A190 HydrophobicContact CG-CB 3.97Å; L186-L191 HydrophobicContact CD2-CB 4.29Å |
| 187 | Q | 89.2 | Confident | 93.9 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 54% | 0.542 | 30% | 0.304 | S | S | . | . | trans | -69.3 | 144.4 | 172.5 | -61.9 | -176.5 | -6.1 | 0 | 0 | 111.2 | P189 A190 | Q187-P189 HydrophobicContact CB-CG 4.2Å; Q187-A190 PolarHBondContact O-N 2.84Å | ||
| 188 | S | 89.7 | Confident | 93.9 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.6 | -44.2 | 177.4 | -169.8 | 0 | 0 | 0 | 0 | 115.3 | Y117 A190 L191 A192 | Y117-S188 WeakPolarHBondContact OH-CB 3.01Å; Y117-S188 PolarHBondContact OH-O 3.11Å; Y117-S188 PolarHBondContact OH-OG 3.2Å; S188-A190 PolarHBondContact O-N 2.98Å; S188-L191 PolarHBondContact O-N 3.31Å; S188-A192 PolarHBondContact O-N 3.5Å |
| 189 | P | 92.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -27.8 | -177.2 | 21.7 | -35.2 | 0 | 0 | 0 | 113.6 | Y117 V133 I135 Q187 A192 S193 | Y117-P189 HydrophobicContact CE2-CB 4.4Å; Y117-P189 WeakPolarHBondContact OH-CA 3.38Å; V133-P189 HydrophobicContact CG1-CB 4.16Å; V133-P189 HydrophobicContact CG1-CG 4.23Å; I135-P189 HydrophobicContact CG1-CB 4.13Å; Q187-P189 HydrophobicContact CB-CG 4.2Å; P189-A192 PolarHBondContact O-N 3.44Å; P189-S193 VanDerWaalsContact O-CB 3.28Å; P189-S193 WeakPolarHBondContact O-CB 3.44Å; P189-S193 PolarHBondContact O-N 2.85Å; P189-S193 PolarHBondContact O-OG 2.84Å; P189-S193 VanDerWaalsContact O-OG 3.11Å |
| 190 | A | 93.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 49 Ų | 49 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L139 L186 Q187 S188 A192 S193 Y194 | L139-A190 HydrophobicContact CD2-CB 3.7Å; L139-A190 VanDerWaalsContact CD2-O 3.23Å; L139-A190 WeakPolarHBondContact CD2-O 3.49Å; L186-A190 HydrophobicContact CD1-CB 3.8Å; L186-A190 HydrophobicContact CD2-CB 4.19Å; L186-A190 HydrophobicContact CG-CB 3.97Å; Q187-A190 PolarHBondContact O-N 2.84Å; S188-A190 PolarHBondContact O-N 2.98Å; A190-A192 VanDerWaalsContact C-N 3.35Å; A190-S193 PolarHBondContact O-N 2.79Å; A190-S193 PolarHBondContact O-OG 2.97Å; A190-Y194 WeakPolarHBondContact O-CB 3.34Å; A190-Y194 PolarHBondContact O-N 2.71Å; A190-Y194 VanDerWaalsContact O-N 3.07Å |
| 191 | L | 94.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.9 | 179.8 | 63.7 | 0 | 0 | 0 | 111.3 | L174 L177 L178 R181 L186 S188 G195 | L174-L191 HydrophobicContact CD1-CD1 3.97Å; L177-L191 HydrophobicContact CB-CD1 3.94Å; L178-L191 HydrophobicContact CB-CD1 4.31Å; L178-L191 HydrophobicContact CD1-CD2 3.84Å; R181-L191 HydrophobicContact CB-CD2 4.13Å; R181-L191 HydrophobicContact CG-CD2 4.07Å; L186-L191 HydrophobicContact CD2-CB 4.29Å; S188-L191 PolarHBondContact O-N 3.31Å; L191-G195 PolarHBondContact O-N 3.28Å |
| 192 | A | 94.4 | Very high | 94 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y117 S188 P189 A190 G195 F196 | Y117-A192 HydrophobicContact CE2-CB 4.38Å; S188-A192 PolarHBondContact O-N 3.5Å; P189-A192 PolarHBondContact O-N 3.44Å; A190-A192 VanDerWaalsContact C-N 3.35Å; A192-G195 PolarHBondContact O-N 3.21Å; A192-F196 HydrophobicContact CB-CD2 4.25Å; A192-F196 HydrophobicContact CB-CE2 4.11Å; A192-F196 WeakPolarHBondContact O-CB 3.36Å; A192-F196 WeakPolarHBondContact O-CD2 3.49Å; A192-F196 WeakPolarHBondContact O-CG 3.48Å; A192-F196 PolarHBondContact O-N 2.9Å |
| 193 | S | 95.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | -179 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | G140 P189 A190 G197 | G140-S193 WeakPolarHBondContact CA-O 3.32Å; P189-S193 VanDerWaalsContact O-CB 3.28Å; P189-S193 WeakPolarHBondContact O-CB 3.44Å; P189-S193 PolarHBondContact O-N 2.85Å; P189-S193 PolarHBondContact O-OG 2.84Å; P189-S193 VanDerWaalsContact O-OG 3.11Å; A190-S193 PolarHBondContact O-N 2.79Å; A190-S193 PolarHBondContact O-OG 2.97Å; S193-G197 PolarHBondContact O-N 3.07Å |
| 194 | Y | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.1 | -174.3 | -94.5 | 0 | 0 | 0 | 111.9 | L139 L142 L146 P170 L173 L174 L177 A190 G197 L198 | L139-Y194 HydrophobicContact CD1-CD2 4.32Å; L139-Y194 HydrophobicContact CG-CD2 4.18Å; L139-Y194 WeakPolarHBondContact O-CD2 3.25Å; L142-Y194 HydrophobicContact CG-CE2 4.43Å; L146-Y194 HydrophobicContact CD1-CE2 4.21Å; L146-Y194 WeakPolarHBondContact CD1-OH 3.34Å; P170-Y194 WeakPolarHBondContact CA-OH 3.37Å; P170-Y194 WeakPolarHBondContact O-CE1 3.4Å; P170-Y194 PolarHBondContact O-OH 3.09Å; L173-Y194 WeakPolarHBondContact CB-OH 3.47Å; L173-Y194 HydrophobicContact CD2-CD2 4.35Å; L173-Y194 HydrophobicContact CD2-CE2 3.46Å; L173-Y194 VanDerWaalsContact CD2-CE2 3.46Å; L173-Y194 HydrophobicContact CG-CE1 4.4Å; L173-Y194 HydrophobicContact CG-CE2 3.91Å; L174-Y194 HydrophobicContact CB-CD1 4.24Å; L174-Y194 HydrophobicContact CB-CE1 3.78Å; L174-Y194 HydrophobicContact CD1-CD1 3.64Å; L174-Y194 HydrophobicContact CD1-CE1 4.07Å; L177-Y194 HydrophobicContact CD1-CD1 3.7Å; L177-Y194 HydrophobicContact CD1-CD2 3.82Å; L177-Y194 HydrophobicContact CD1-CE1 4.34Å; L177-Y194 HydrophobicContact CD1-CE2 4.44Å; L177-Y194 HydrophobicContact CD1-CG 3.41Å; L177-Y194 VanDerWaalsContact CD1-CG 3.41Å; A190-Y194 WeakPolarHBondContact O-CB 3.34Å; A190-Y194 PolarHBondContact O-N 2.71Å; A190-Y194 VanDerWaalsContact O-N 3.07Å; Y194-G197 PolarHBondContact O-N 3.27Å; Y194-L198 HydrophobicContact CE1-CD1 4.02Å; Y194-L198 WeakPolarHBondContact O-CB 3.32Å; Y194-L198 PolarHBondContact O-N 2.91Å |
| 195 | G | 96.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L191 A192 G197 L198 L199 | L191-G195 PolarHBondContact O-N 3.28Å; A192-G195 PolarHBondContact O-N 3.21Å; G195-G197 VanDerWaalsContact C-N 3.34Å; G195-L198 PolarHBondContact O-N 3.37Å; G195-L199 WeakPolarHBondContact O-CB 3.47Å; G195-L199 PolarHBondContact O-N 3.42Å |
| 196 | F | 97 | Very high | 93.8 | Very high | 50 Ų | 50 | 28 Ų | 28 | 22% | 0.219 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -32.2 | 175.6 | -68.6 | -51.5 | 0 | 0 | 0 | 112.3 | V109 L112 A116 A192 L199 S200 | V109-F196 HydrophobicContact CG2-CB 4.36Å; L112-F196 HydrophobicContact CB-CB 4.37Å; L112-F196 HydrophobicContact CB-CD1 3.89Å; L112-F196 HydrophobicContact CB-CD2 4.34Å; L112-F196 HydrophobicContact CB-CE1 4.26Å; L112-F196 HydrophobicContact CB-CG 3.95Å; L112-F196 HydrophobicContact CD2-CD1 3.85Å; L112-F196 HydrophobicContact CD2-CE1 4.41Å; A116-F196 HydrophobicContact CB-CE2 3.71Å; A116-F196 HydrophobicContact CB-CZ 3.58Å; A192-F196 HydrophobicContact CB-CD2 4.25Å; A192-F196 HydrophobicContact CB-CE2 4.11Å; A192-F196 WeakPolarHBondContact O-CB 3.36Å; A192-F196 WeakPolarHBondContact O-CD2 3.49Å; A192-F196 WeakPolarHBondContact O-CG 3.48Å; A192-F196 PolarHBondContact O-N 2.9Å; F196-L199 PolarHBondContact O-N 3.33Å; F196-S200 WeakPolarHBondContact O-CB 3.45Å; F196-S200 PolarHBondContact O-N 3.15Å; F196-S200 PolarHBondContact O-OG 2.88Å |
| 197 | G | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G140 S193 Y194 G195 S200 S201 | G140-G197 VanDerWaalsContact O-CA 3.31Å; G140-G197 WeakPolarHBondContact O-CA 3.3Å; S193-G197 PolarHBondContact O-N 3.07Å; Y194-G197 PolarHBondContact O-N 3.27Å; G195-G197 VanDerWaalsContact C-N 3.34Å; G197-S200 WeakPolarHBondContact CA-OG 3.27Å; G197-S200 PolarHBondContact O-OG 3.3Å; G197-S200 VanDerWaalsContact O-OG 3.1Å; G197-S201 WeakPolarHBondContact O-CB 3.47Å; G197-S201 PolarHBondContact O-N 2.8Å |
| 198 | L | 96.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 172.5 | -178.2 | 156.1 | 0 | 0 | 0 | 111 | V147 P170 M171 Y194 G195 W202 F224 | V147-L198 HydrophobicContact CG2-CB 4.39Å; V147-L198 HydrophobicContact CG2-CD2 4.49Å; V147-L198 HydrophobicContact CG2-CG 3.75Å; P170-L198 HydrophobicContact CB-CD1 3.63Å; P170-L198 HydrophobicContact CB-CG 4.4Å; M171-L198 HydrophobicContact SD-CD1 3.91Å; M171-L198 HydrophobicContact SD-CD2 4.28Å; Y194-L198 HydrophobicContact CE1-CD1 4.02Å; Y194-L198 WeakPolarHBondContact O-CB 3.32Å; Y194-L198 PolarHBondContact O-N 2.91Å; G195-L198 PolarHBondContact O-N 3.37Å; L198-W202 WeakPolarHBondContact O-CB 3.41Å; L198-W202 PolarHBondContact O-N 3.08Å; L198-F224 HydrophobicContact CD2-CE2 4.26Å |
| 199 | L | 94.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 36% | 0.356 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.4 | -48.1 | -177.9 | -179.2 | 63 | 0 | 0 | 0 | 112.1 | G195 F196 W202 V203 | G195-L199 WeakPolarHBondContact O-CB 3.47Å; G195-L199 PolarHBondContact O-N 3.42Å; F196-L199 PolarHBondContact O-N 3.33Å; L199-W202 PolarHBondContact O-N 2.87Å; L199-V203 HydrophobicContact CD1-CG2 4.41Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 2.97Å |
| 200 | S | 95.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | -179.5 | 57 | 0 | 0 | 0 | 0 | 112.3 | S108 F196 G197 V203 Y204 | S108-S200 WeakPolarHBondContact OG-CB 3.48Å; S108-S200 PolarHBondContact OG-OG 2.83Å; S108-S200 VanDerWaalsContact OG-OG 3.1Å; F196-S200 WeakPolarHBondContact O-CB 3.45Å; F196-S200 PolarHBondContact O-N 3.15Å; F196-S200 PolarHBondContact O-OG 2.88Å; G197-S200 WeakPolarHBondContact CA-OG 3.27Å; G197-S200 PolarHBondContact O-OG 3.3Å; G197-S200 VanDerWaalsContact O-OG 3.1Å; S200-V203 PolarHBondContact O-N 3.4Å; S200-Y204 VanDerWaalsContact O-CB 3.28Å; S200-Y204 WeakPolarHBondContact O-CB 3.47Å; S200-Y204 PolarHBondContact O-N 3.12Å |
| 201 | S | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F101 G144 G197 V203 Y204 L205 | F101-S201 WeakPolarHBondContact CE2-OG 3.45Å; F101-S201 VanDerWaalsContact CZ-OG 3.24Å; F101-S201 WeakPolarHBondContact CZ-OG 3.48Å; G144-S201 WeakPolarHBondContact CA-OG 3.26Å; G144-S201 PolarHBondContact O-OG 3.45Å; G197-S201 WeakPolarHBondContact O-CB 3.47Å; G197-S201 PolarHBondContact O-N 2.8Å; S201-V203 PolarHBondContact O-N 3.2Å; S201-Y204 PolarHBondContact O-N 3.3Å; S201-L205 WeakPolarHBondContact O-CB 3.29Å; S201-L205 VanDerWaalsContact O-CG 3.25Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 3.46Å; S201-L205 WeakPolarHBondContact OG-CD1 3.39Å |
| 202 | W | 94.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 177.4 | -179.7 | 76.1 | 0 | 0 | 0 | 111.5 | V147 L198 L199 Y204 L205 R206 F207 F222 F224 F227 | V147-W202 HydrophobicContact CG1-CB 4.01Å; L198-W202 WeakPolarHBondContact O-CB 3.41Å; L198-W202 PolarHBondContact O-N 3.08Å; L199-W202 PolarHBondContact O-N 2.87Å; W202-Y204 VanDerWaalsContact C-N 3.33Å; W202-Y204 PolarHBondContact O-N 3.44Å; W202-L205 PolarHBondContact O-N 3.43Å; W202-R206 HydrophobicContact CH2-CG 4.35Å; W202-R206 HydrophobicContact CZ2-CB 4.43Å; W202-R206 HydrophobicContact CZ2-CG 3.93Å; W202-R206 WeakPolarHBondContact O-CB 3.33Å; W202-R206 PolarHBondContact O-N 3.23Å; W202-F207 HydrophobicContact CH2-CE2 4.2Å; W202-F207 HydrophobicContact CH2-CZ 4.48Å; W202-F207 HydrophobicContact CZ3-CE2 4.17Å; W202-F222 AromaticContact CD1-CE1 3.83Å; W202-F222 AromaticContact CD1-CZ 3.69Å; W202-F222 AromaticContact NE1-CE1 3.99Å; W202-F222 PolarHBondContact NE1-O 3.03Å; W202-F224 HydrophobicContact CD2-CB 4.47Å; W202-F224 AromaticContact CD2-CD2 3.98Å; W202-F224 HydrophobicContact CD2-CD2 3.98Å; W202-F224 HydrophobicContact CE3-CD2 4.18Å; W202-F224 HydrophobicContact CG-CD2 4.32Å; W202-F224 HydrophobicContact CH2-CB 4.02Å; W202-F224 HydrophobicContact CZ2-CB 3.69Å; W202-F227 AromaticContact CD1-CE2 3.35Å; W202-F227 AromaticContact CD1-CZ 3.48Å; W202-F227 VanDerWaalsContact CD1-CZ 3.48Å; W202-F227 HydrophobicContact CG-CE2 4.41Å; W202-F227 HydrophobicContact CG-CZ 4.48Å; W202-F227 AromaticContact NE1-CE2 3.51Å |
| 203 | V | 92.2 | Very high | 89 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 30% | 0.297 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L199 S200 S201 F207 Y208 | L199-V203 HydrophobicContact CD1-CG2 4.41Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 2.97Å; S200-V203 PolarHBondContact O-N 3.4Å; S201-V203 PolarHBondContact O-N 3.2Å; V203-F207 HydrophobicContact CG1-CD2 4.19Å; V203-F207 WeakPolarHBondContact O-CB 3.47Å; V203-F207 WeakPolarHBondContact O-CD2 3.16Å; V203-F207 PolarHBondContact O-N 2.93Å; V203-Y208 HydrophobicContact CG1-CD2 4.29Å; V203-Y208 HydrophobicContact CG1-CE2 4.04Å |
| 204 | Y | 92.9 | Very high | 88.1 | Confident | 27 Ų | 27 | 56 Ų | 56 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -62.8 | -52.9 | 179.5 | 178.4 | -97.9 | 0 | 0 | 0 | 111.8 | I100 F101 V104 S200 S201 W202 R206 F207 Y208 Q209 | I100-Y204 WeakPolarHBondContact CG2-OH 3.09Å; F101-Y204 HydrophobicContact CB-CE1 4.32Å; F101-Y204 AromaticContact CD2-CD1 3.57Å; F101-Y204 HydrophobicContact CD2-CD1 3.57Å; F101-Y204 AromaticContact CD2-CE1 3.74Å; F101-Y204 HydrophobicContact CD2-CE1 3.74Å; F101-Y204 HydrophobicContact CE2-CD1 4.1Å; V104-Y204 HydrophobicContact CB-CD2 4.35Å; V104-Y204 HydrophobicContact CB-CE2 4.36Å; V104-Y204 HydrophobicContact CG1-CD2 3.66Å; V104-Y204 HydrophobicContact CG1-CE2 4.1Å; V104-Y204 HydrophobicContact CG1-CG 4.24Å; V104-Y204 HydrophobicContact CG2-CE2 4.12Å; S200-Y204 VanDerWaalsContact O-CB 3.28Å; S200-Y204 WeakPolarHBondContact O-CB 3.47Å; S200-Y204 PolarHBondContact O-N 3.12Å; S201-Y204 PolarHBondContact O-N 3.3Å; W202-Y204 VanDerWaalsContact C-N 3.33Å; W202-Y204 PolarHBondContact O-N 3.44Å; Y204-R206 VanDerWaalsContact C-N 3.34Å; Y204-R206 PolarHBondContact O-N 3.1Å; Y204-F207 PolarHBondContact O-N 3.03Å; Y204-Y208 CarbonylContact O-C 3.53Å; Y204-Y208 WeakPolarHBondContact O-CA 3.19Å; Y204-Y208 PolarHBondContact O-N 2.89Å; Y204-Q209 HydrophobicContact CD1-CB 4.42Å; Y204-Q209 HydrophobicContact CE1-CB 4.09Å; Y204-Q209 HydrophobicContact CE1-CG 4.36Å; Y204-Q209 PolarHBondContact O-N 2.88Å |
| 205 | L | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -66.7 | -36.5 | -179.2 | -62.8 | 172 | 0 | 0 | 0 | 111.6 | W93 F101 V147 A148 S201 W202 Q209 G216 D217 F222 | W93-L205 HydrophobicContact CH2-CD2 3.87Å; W93-L205 HydrophobicContact CZ2-CD2 3.97Å; F101-L205 HydrophobicContact CD2-CD2 4.14Å; F101-L205 HydrophobicContact CE2-CD1 4.16Å; F101-L205 HydrophobicContact CE2-CD2 3.93Å; F101-L205 HydrophobicContact CE2-CG 4.01Å; V147-L205 HydrophobicContact CG1-CD1 3.97Å; A148-L205 HydrophobicContact CB-CD1 3.95Å; S201-L205 WeakPolarHBondContact O-CB 3.29Å; S201-L205 VanDerWaalsContact O-CG 3.25Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 3.46Å; S201-L205 WeakPolarHBondContact OG-CD1 3.39Å; W202-L205 PolarHBondContact O-N 3.43Å; L205-Q209 HydrophobicContact CD2-CB 4.49Å; L205-Q209 HydrophobicContact CD2-CG 4.43Å; L205-G216 WeakPolarHBondContact O-CA 3.42Å; L205-D217 PolarHBondContact O-N 3.02Å; L205-F222 HydrophobicContact CB-CE1 3.92Å; L205-F222 HydrophobicContact CB-CZ 3.83Å; L205-F222 HydrophobicContact CD1-CZ 4.22Å |
| 206 | R | 88 | Confident | 86.4 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -70.8 | -38.8 | 180 | -167.9 | 74.3 | -176.2 | 54.6 | -9.5 | 111.8 | W202 Y204 G216 D217 M218 A219 F222 | W202-R206 HydrophobicContact CH2-CG 4.35Å; W202-R206 HydrophobicContact CZ2-CB 4.43Å; W202-R206 HydrophobicContact CZ2-CG 3.93Å; W202-R206 WeakPolarHBondContact O-CB 3.33Å; W202-R206 PolarHBondContact O-N 3.23Å; Y204-R206 VanDerWaalsContact C-N 3.34Å; Y204-R206 PolarHBondContact O-N 3.1Å; R206-G216 WeakPolarHBondContact O-CA 3.26Å; R206-D217 WeakPolarHBondContact CD-O 3.35Å; R206-D217 PolarHBondContact NE-O 3.43Å; R206-D217 VanDerWaalsContact NE-O 3.13Å; R206-D217 PolarHBondContact NH1-O 3.27Å; R206-D217 PolarHBondContact O-N 3.05Å; R206-M218 VanDerWaalsContact NH1-CA 3.34Å; R206-M218 PolarHBondContact NH1-SD 3.01Å; R206-M218 PolarHBondContact NH2-O 2.92Å; R206-M218 WeakPolarHBondContact O-CE 3.04Å; R206-A219 PolarHBondContact NH2-O 3.27Å; R206-F222 HydrophobicContact CB-CD1 4.38Å; R206-F222 HydrophobicContact CB-CE1 3.99Å; R206-F222 VanDerWaalsContact CD-CD1 3.49Å |
| 207 | F | 87.4 | Confident | 85.7 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 31% | 0.307 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -123.9 | -28.5 | -168.2 | -58.8 | -69.8 | 0 | 0 | 0 | 116 | W202 V203 Y204 M218 T256 | W202-F207 HydrophobicContact CH2-CE2 4.2Å; W202-F207 HydrophobicContact CH2-CZ 4.48Å; W202-F207 HydrophobicContact CZ3-CE2 4.17Å; V203-F207 HydrophobicContact CG1-CD2 4.19Å; V203-F207 WeakPolarHBondContact O-CB 3.47Å; V203-F207 WeakPolarHBondContact O-CD2 3.16Å; V203-F207 PolarHBondContact O-N 2.93Å; Y204-F207 PolarHBondContact O-N 3.03Å; F207-M218 HydrophobicContact CD1-CE 3.84Å; F207-M218 HydrophobicContact CE1-CE 4.22Å; F207-T256 HydrophobicContact CE1-CG2 4.09Å |
| 208 | Y | 86.4 | Confident | 84.7 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 54% | 0.541 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -109.3 | -31.2 | -168.3 | -71.2 | -84.2 | 0 | 0 | 0 | 114.3 | V203 Y204 R210 | V203-Y208 HydrophobicContact CG1-CD2 4.29Å; V203-Y208 HydrophobicContact CG1-CE2 4.04Å; Y204-Y208 CarbonylContact O-C 3.53Å; Y204-Y208 WeakPolarHBondContact O-CA 3.19Å; Y204-Y208 PolarHBondContact O-N 2.89Å; Y208-R210 PolarHBondContact O-N 3.43Å |
| 209 | Q | 85.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | trans | -54.9 | 127.8 | -177 | -173.9 | -177.2 | 11.3 | 0 | 0 | 110.8 | Y204 L205 H211 G216 | Y204-Q209 HydrophobicContact CD1-CB 4.42Å; Y204-Q209 HydrophobicContact CE1-CB 4.09Å; Y204-Q209 HydrophobicContact CE1-CG 4.36Å; Y204-Q209 PolarHBondContact O-N 2.88Å; L205-Q209 HydrophobicContact CD2-CB 4.49Å; L205-Q209 HydrophobicContact CD2-CG 4.43Å; Q209-H211 PolarHBondContact NE2-CE1 2.99Å; Q209-H211 PolarHBondContact OE1-CE1 3.29Å; Q209-H211 VanDerWaalsContact OE1-CE1 3.3Å; Q209-G216 PolarHBondContact O-N 3.49Å | ||
| 210 | R | 78.2 | Confident | 83.3 | Confident | 190 Ų | 190 | 69.3 Ų | 69.3 | 72% | 0.717 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.6 | 177.1 | -67.2 | 179 | -178.6 | 159.5 | -0.9 | 108.6 | Y208 | Y208-R210 PolarHBondContact O-N 3.43Å |
| 211 | H | 70.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 38% | 0.384 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 154.8 | 166.5 | -80.2 | 88.8 | 0 | 0 | 0 | 109.1 | Q209 R213 G214 | Q209-H211 PolarHBondContact NE2-CE1 2.99Å; Q209-H211 PolarHBondContact OE1-CE1 3.29Å; Q209-H211 VanDerWaalsContact OE1-CE1 3.3Å; H211-R213 PolarHBondContact O-N 3Å; H211-R213 VanDerWaalsContact O-N 3.15Å; H211-G214 CarbonylContact C-O 3.59Å; H211-G214 WeakPolarHBondContact CA-O 3.35Å; H211-G214 PolarHBondContact N-O 2.79Å; H211-G214 PolarHBondContact O-N 3.47Å |
| 212 | S | 68.3 | Low | 82.3 | Confident | 131 Ų | 131 | 74 Ų | 74 | 92% | 0.916 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.2 | 169.2 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 213 | R | 67.2 | Low | 81.9 | Confident | 238 Ų | 238 | 73.7 Ų | 73.7 | 90% | 0.898 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.2 | 179.9 | -58.5 | -178.5 | 73.8 | 149.3 | 1.9 | 114.5 | H211 | H211-R213 PolarHBondContact O-N 3Å; H211-R213 VanDerWaalsContact O-N 3.15Å |
| 214 | G | 76.6 | Confident | 81.7 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -162.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H211 | H211-G214 CarbonylContact C-O 3.59Å; H211-G214 WeakPolarHBondContact CA-O 3.35Å; H211-G214 PolarHBondContact N-O 2.79Å; H211-G214 PolarHBondContact O-N 3.47Å |
| 215 | R | 77.8 | Confident | 81.5 | Confident | 171 Ų | 171 | 73.3 Ų | 73.3 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.8 | 179.1 | -68.8 | 178.1 | 67.6 | 152.1 | -0.1 | 110.6 | ||
| 216 | G | 81 | Confident | 81.3 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 65.5 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L205 R206 Q209 | L205-G216 WeakPolarHBondContact O-CA 3.42Å; R206-G216 WeakPolarHBondContact O-CA 3.26Å; Q209-G216 PolarHBondContact O-N 3.49Å |
| 217 | D | 80.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.16 | 36% | 0.357 | C | S | . | . | trans | -96.5 | 114.9 | 171.7 | -174.8 | -4.8 | 0 | 0 | 0 | 110.2 | L205 R206 A219 H221 F222 | L205-D217 PolarHBondContact O-N 3.02Å; R206-D217 WeakPolarHBondContact CD-O 3.35Å; R206-D217 PolarHBondContact NE-O 3.43Å; R206-D217 VanDerWaalsContact NE-O 3.13Å; R206-D217 PolarHBondContact NH1-O 3.27Å; R206-D217 PolarHBondContact O-N 3.05Å; D217-A219 WeakPolarHBondContact OD1-CB 3.36Å; D217-A219 PolarHBondContact OD1-N 3.47Å; D217-H221 IonicContact OD2-NE2 3.78Å; D217-F222 HydrophobicContact CB-CD1 3.99Å | ||
| 218 | M | 77 | Confident | 81.5 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | trans | -91 | 3.8 | 178.5 | -66 | -65.1 | 119.5 | 0 | 0 | 114.8 | R206 F207 | R206-M218 VanDerWaalsContact NH1-CA 3.34Å; R206-M218 PolarHBondContact NH1-SD 3.01Å; R206-M218 PolarHBondContact NH2-O 2.92Å; R206-M218 WeakPolarHBondContact O-CE 3.04Å; F207-M218 HydrophobicContact CD1-CE 3.84Å; F207-M218 HydrophobicContact CE1-CE 4.22Å | ||
| 219 | A | 80.2 | Confident | 81.5 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | trans | -70.8 | 150.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R206 D217 H221 F222 | R206-A219 PolarHBondContact NH2-O 3.27Å; D217-A219 WeakPolarHBondContact OD1-CB 3.36Å; D217-A219 PolarHBondContact OD1-N 3.47Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 WeakPolarHBondContact CB-CE1 3.29Å; A219-H221 WeakPolarHBondContact CB-ND1 3.44Å; A219-F222 PolarHBondContact O-N 3.43Å | ||
| 220 | D | 81.3 | Confident | 81.5 | Confident | 108 Ų | 108 | 74 Ų | 74 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -72.3 | -27.5 | 178.8 | -66.8 | -37.7 | 0 | 0 | 0 | 111.4 | F222 A223 K258 | D220-F222 PolarHBondContact O-N 2.93Å; D220-A223 WeakPolarHBondContact O-CB 3.48Å; D220-A223 PolarHBondContact O-N 2.81Å; D220-A223 VanDerWaalsContact O-N 3.14Å; D220-K258 IonicContact OD1-NZ 3.46Å; D220-K258 PolarHBondContact OD1-NZ 3.48Å; D220-K258 IonicContact OD2-NZ 2.84Å |
| 221 | H | 83.5 | Confident | 81.9 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -66.7 | -24.4 | 175.7 | 70.3 | -98.6 | 0 | 0 | 0 | 113 | D217 A219 T226 | D217-H221 IonicContact OD2-NE2 3.78Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 WeakPolarHBondContact CB-CE1 3.29Å; A219-H221 WeakPolarHBondContact CB-ND1 3.44Å; H221-T226 PolarHBondContact O-OG1 3Å |
| 222 | F | 87.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -97.2 | 11.6 | 176.7 | -167.4 | -117 | 0 | 0 | 0 | 113 | V147 Q151 W202 L205 R206 D217 A219 D220 F227 | V147-F222 HydrophobicContact CG1-CE2 3.96Å; V147-F222 HydrophobicContact CG1-CZ 3.81Å; Q151-F222 HydrophobicContact CB-CD2 4.04Å; Q151-F222 HydrophobicContact CB-CE2 3.74Å; Q151-F222 HydrophobicContact CB-CZ 4.32Å; Q151-F222 HydrophobicContact CG-CD2 4.21Å; Q151-F222 HydrophobicContact CG-CE2 4.14Å; Q151-F222 HydrophobicContact CG-CZ 4.43Å; W202-F222 AromaticContact CD1-CE1 3.83Å; W202-F222 AromaticContact CD1-CZ 3.69Å; W202-F222 AromaticContact NE1-CE1 3.99Å; W202-F222 PolarHBondContact NE1-O 3.03Å; L205-F222 HydrophobicContact CB-CE1 3.92Å; L205-F222 HydrophobicContact CB-CZ 3.83Å; L205-F222 HydrophobicContact CD1-CZ 4.22Å; R206-F222 HydrophobicContact CB-CD1 4.38Å; R206-F222 HydrophobicContact CB-CE1 3.99Å; R206-F222 VanDerWaalsContact CD-CD1 3.49Å; D217-F222 HydrophobicContact CB-CD1 3.99Å; A219-F222 PolarHBondContact O-N 3.43Å; D220-F222 PolarHBondContact O-N 2.93Å; F222-F227 HydrophobicContact CD2-CE2 4.34Å; F222-F227 AromaticContact CD2-CZ 3.98Å; F222-F227 HydrophobicContact CD2-CZ 3.98Å; F222-F227 HydrophobicContact CE2-CE2 4.32Å; F222-F227 AromaticContact CE2-CZ 3.6Å; F222-F227 HydrophobicContact CE2-CZ 3.6Å; F222-F227 HydrophobicContact CZ-CZ 4.26Å |
| 223 | A | 87 | Confident | 83.7 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -61.8 | 149.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D220 A225 T226 F227 | D220-A223 WeakPolarHBondContact O-CB 3.48Å; D220-A223 PolarHBondContact O-N 2.81Å; D220-A223 VanDerWaalsContact O-N 3.14Å; A223-A225 PolarHBondContact O-N 3.13Å; A223-A225 VanDerWaalsContact O-N 3.16Å; A223-T226 HydrophobicContact CB-CG2 4.43Å; A223-T226 PolarHBondContact O-N 2.96Å; A223-T226 VanDerWaalsContact O-N 3.09Å; A223-T226 PolarHBondContact O-OG1 3.37Å; A223-F227 WeakPolarHBondContact O-CD2 3.41Å |
| 224 | F | 87.6 | Confident | 84.8 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -57.7 | -34 | -177.8 | -171.4 | -103.2 | 0 | 0 | 0 | 113.1 | L198 W202 T226 F227 F228 V236 | L198-F224 HydrophobicContact CD2-CE2 4.26Å; W202-F224 HydrophobicContact CD2-CB 4.47Å; W202-F224 AromaticContact CD2-CD2 3.98Å; W202-F224 HydrophobicContact CD2-CD2 3.98Å; W202-F224 HydrophobicContact CE3-CD2 4.18Å; W202-F224 HydrophobicContact CG-CD2 4.32Å; W202-F224 HydrophobicContact CH2-CB 4.02Å; W202-F224 HydrophobicContact CZ2-CB 3.69Å; F224-T226 VanDerWaalsContact C-N 3.32Å; F224-T226 PolarHBondContact O-N 3.32Å; F224-F227 WeakPolarHBondContact O-CB 3.21Å; F224-F227 WeakPolarHBondContact O-CD2 3.26Å; F224-F227 PolarHBondContact O-N 3.07Å; F224-F228 HydrophobicContact CD1-CE2 4.13Å; F224-F228 AromaticContact CE1-CE2 3.65Å; F224-F228 HydrophobicContact CE1-CE2 3.65Å; F224-F228 HydrophobicContact CE1-CZ 4.12Å; F224-F228 HydrophobicContact CZ-CE2 4.1Å; F224-F228 HydrophobicContact CZ-CZ 4.46Å; F224-V236 HydrophobicContact CD1-CG1 3.89Å; F224-V236 HydrophobicContact CE1-CG1 4.17Å |
| 225 | A | 88 | Confident | 85.5 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -62.8 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A223 F227 F228 Q233 V236 | A223-A225 PolarHBondContact O-N 3.13Å; A223-A225 VanDerWaalsContact O-N 3.16Å; A225-F227 PolarHBondContact O-N 2.9Å; A225-F227 VanDerWaalsContact O-N 3.08Å; A225-F228 PolarHBondContact O-N 2.8Å; A225-Q233 WeakPolarHBondContact O-CG 3.38Å; A225-V236 HydrophobicContact CB-CB 4.45Å; A225-V236 HydrophobicContact CB-CG1 4.26Å |
| 226 | T | 88.5 | Confident | 86 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -71.9 | -5.5 | -176.2 | 66.1 | 0 | 0 | 0 | 0 | 113 | K150 H221 A223 F224 | K150-T226 PolarHBondContact NZ-O 3.29Å; K150-T226 PolarHBondContact NZ-OG1 3.32Å; H221-T226 PolarHBondContact O-OG1 3Å; A223-T226 HydrophobicContact CB-CG2 4.43Å; A223-T226 PolarHBondContact O-N 2.96Å; A223-T226 VanDerWaalsContact O-N 3.09Å; A223-T226 PolarHBondContact O-OG1 3.37Å; F224-T226 VanDerWaalsContact C-N 3.32Å; F224-T226 PolarHBondContact O-N 3.32Å |
| 227 | F | 89.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -76.1 | -18.3 | 172.5 | -72.6 | -96.5 | 0 | 0 | 0 | 112 | V147 K150 P170 M171 W202 F222 A223 F224 A225 | V147-F227 HydrophobicContact CB-CE1 4.23Å; V147-F227 HydrophobicContact CG1-CE1 3.92Å; V147-F227 HydrophobicContact CG1-CZ 3.89Å; V147-F227 HydrophobicContact CG2-CE1 3.93Å; K150-F227 HydrophobicContact CB-CE1 4.43Å; K150-F227 HydrophobicContact CD-CD1 3.59Å; K150-F227 HydrophobicContact CD-CD2 4.36Å; K150-F227 HydrophobicContact CD-CE1 3.31Å; K150-F227 HydrophobicContact CD-CE2 4.11Å; K150-F227 HydrophobicContact CD-CG 4.12Å; K150-F227 HydrophobicContact CD-CZ 3.59Å; K150-F227 HydrophobicContact CG-CE1 4.43Å; K150-F227 VanDerWaalsContact NZ-CA 3.27Å; K150-F227 VanDerWaalsContact NZ-CE2 3.29Å; P170-F227 HydrophobicContact CB-CD1 4.14Å; P170-F227 HydrophobicContact CG-CD1 3.92Å; P170-F227 HydrophobicContact CG-CE1 4.17Å; M171-F227 WeakPolarHBondContact CB-O 3.33Å; M171-F227 HydrophobicContact CG-CB 3.58Å; M171-F227 WeakPolarHBondContact CG-O 3.34Å; M171-F227 HydrophobicContact SD-CB 4.46Å; W202-F227 AromaticContact CD1-CE2 3.35Å; W202-F227 AromaticContact CD1-CZ 3.48Å; W202-F227 VanDerWaalsContact CD1-CZ 3.48Å; W202-F227 HydrophobicContact CG-CE2 4.41Å; W202-F227 HydrophobicContact CG-CZ 4.48Å; W202-F227 AromaticContact NE1-CE2 3.51Å; F222-F227 HydrophobicContact CD2-CE2 4.34Å; F222-F227 AromaticContact CD2-CZ 3.98Å; F222-F227 HydrophobicContact CD2-CZ 3.98Å; F222-F227 HydrophobicContact CE2-CE2 4.32Å; F222-F227 AromaticContact CE2-CZ 3.6Å; F222-F227 HydrophobicContact CE2-CZ 3.6Å; F222-F227 HydrophobicContact CZ-CZ 4.26Å; A223-F227 WeakPolarHBondContact O-CD2 3.41Å; F224-F227 WeakPolarHBondContact O-CB 3.21Å; F224-F227 WeakPolarHBondContact O-CD2 3.26Å; F224-F227 PolarHBondContact O-N 3.07Å; A225-F227 PolarHBondContact O-N 2.9Å; A225-F227 VanDerWaalsContact O-N 3.08Å |
| 228 | F | 89.3 | Confident | 86.6 | Confident | 36 Ų | 36 | 62 Ų | 62 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -92.1 | 154.5 | 179.6 | -67.6 | -103.5 | 0 | 0 | 0 | 110.8 | M171 F224 A225 L232 Q233 V236 | M171-F228 HydrophobicContact CE-CD1 4.18Å; M171-F228 HydrophobicContact CE-CE1 3.42Å; M171-F228 VanDerWaalsContact CE-CE1 3.42Å; M171-F228 HydrophobicContact CE-CE2 3.89Å; M171-F228 HydrophobicContact CE-CZ 3.24Å; M171-F228 HydrophobicContact CG-CD2 4.29Å; M171-F228 HydrophobicContact CG-CE2 4.24Å; M171-F228 HydrophobicContact CG-CZ 4.46Å; M171-F228 HydrophobicContact SD-CE2 4.09Å; M171-F228 HydrophobicContact SD-CZ 4.04Å; F224-F228 HydrophobicContact CD1-CE2 4.13Å; F224-F228 AromaticContact CE1-CE2 3.65Å; F224-F228 HydrophobicContact CE1-CE2 3.65Å; F224-F228 HydrophobicContact CE1-CZ 4.12Å; F224-F228 HydrophobicContact CZ-CE2 4.1Å; F224-F228 HydrophobicContact CZ-CZ 4.46Å; A225-F228 PolarHBondContact O-N 2.8Å; F228-L232 HydrophobicContact CB-CB 4.06Å; F228-L232 HydrophobicContact CD1-CB 4.41Å; F228-L232 HydrophobicContact CD1-CD1 4.33Å; F228-Q233 WeakPolarHBondContact O-CG 3.41Å; F228-Q233 PolarHBondContact O-NE2 2.9Å; F228-V236 HydrophobicContact CB-CG2 4.5Å; F228-V236 HydrophobicContact CD1-CG2 3.84Å; F228-V236 HydrophobicContact CD2-CB 4.25Å; F228-V236 HydrophobicContact CD2-CG1 3.81Å; F228-V236 HydrophobicContact CD2-CG2 3.94Å; F228-V236 HydrophobicContact CE1-CG2 3.92Å; F228-V236 HydrophobicContact CE2-CB 4.44Å; F228-V236 HydrophobicContact CE2-CG1 3.67Å; F228-V236 HydrophobicContact CE2-CG2 4.06Å; F228-V236 HydrophobicContact CG-CG2 3.83Å; F228-V236 HydrophobicContact CZ-CG1 4.23Å; F228-V236 HydrophobicContact CZ-CG2 4.02Å |
| 229 | P | 86.8 | Confident | 87.2 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | trans | -51.9 | 147 | 168 | -23.1 | 32.8 | 0 | 0 | 0 | 111.2 | I231 L232 Q233 | P229-I231 PolarHBondContact O-N 3.38Å; P229-L232 PolarHBondContact O-N 3.27Å; P229-Q233 WeakPolarHBondContact O-CG 3.33Å; P229-Q233 PolarHBondContact O-N 3.18Å | ||
| 230 | E | 85.4 | Confident | 87.4 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -36.9 | -174.2 | -71 | 166.1 | -145.5 | 0 | 0 | 113.6 | R165 L232 Q233 P234 | R165-E230 IonicContact CZ-OE1 3.22Å; R165-E230 IonicContact NH1-OE1 3.39Å; R165-E230 IonicContact NH2-OE1 2.64Å; R165-E230 PolarHBondContact NH2-OE1 3.31Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 2.96Å; E230-Q233 PolarHBondContact O-N 3.14Å; E230-P234 WeakPolarHBondContact O-CD 3.49Å |
| 231 | I | 87.9 | Confident | 87.6 | Confident | 151 Ų | 151 | 64 Ų | 64 | 77% | 0.774 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -35.1 | 179.4 | -59.8 | 145.5 | 0 | 0 | 0 | 112.5 | P229 | P229-I231 PolarHBondContact O-N 3.38Š|
| 232 | L | 87.3 | Confident | 87.7 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 44% | 0.44 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -15.1 | -176.6 | -70.3 | 175 | 0 | 0 | 0 | 113.2 | F228 P229 E230 V235 V236 | F228-L232 HydrophobicContact CB-CB 4.06Å; F228-L232 HydrophobicContact CD1-CB 4.41Å; F228-L232 HydrophobicContact CD1-CD1 4.33Å; P229-L232 PolarHBondContact O-N 3.27Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 2.96Å; L232-V235 PolarHBondContact O-N 3.41Å; L232-V236 WeakPolarHBondContact O-CG2 3.38Å; L232-V236 PolarHBondContact O-N 2.84Å |
| 233 | Q | 89 | Confident | 87.4 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.2 | -44.8 | -178.7 | -61.4 | -169.6 | -2 | 0 | 0 | 114.7 | A225 F228 P229 E230 V235 V236 G237 | A225-Q233 WeakPolarHBondContact O-CG 3.38Å; F228-Q233 WeakPolarHBondContact O-CG 3.41Å; F228-Q233 PolarHBondContact O-NE2 2.9Å; P229-Q233 WeakPolarHBondContact O-CG 3.33Å; P229-Q233 PolarHBondContact O-N 3.18Å; E230-Q233 PolarHBondContact O-N 3.14Å; Q233-V235 PolarHBondContact O-N 3.41Å; Q233-V236 PolarHBondContact O-N 3.32Å; Q233-G237 WeakPolarHBondContact O-CA 3.36Å; Q233-G237 PolarHBondContact O-N 3.04Å |
| 234 | P | 89.3 | Confident | 87 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 180 | 23.8 | -33.3 | 0 | 0 | 0 | 112.1 | E230 G237 L238 | E230-P234 WeakPolarHBondContact O-CD 3.49Å; P234-G237 PolarHBondContact O-N 3.01Å; P234-L238 WeakPolarHBondContact O-CG 3.21Å; P234-L238 PolarHBondContact O-N 2.72Å |
| 235 | V | 91.1 | Very high | 86.7 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65 | -47.4 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | L232 Q233 G237 L238 L239 | L232-V235 PolarHBondContact O-N 3.41Å; Q233-V235 PolarHBondContact O-N 3.41Å; V235-G237 VanDerWaalsContact C-N 3.34Å; V235-L238 PolarHBondContact O-N 3.13Å; V235-L239 PolarHBondContact O-N 2.97Å; V235-L239 VanDerWaalsContact O-N 3.13Å |
| 236 | V | 89 | Confident | 86.4 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 12% | 0.121 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | F224 A225 F228 L232 Q233 L239 A240 | F224-V236 HydrophobicContact CD1-CG1 3.89Å; F224-V236 HydrophobicContact CE1-CG1 4.17Å; A225-V236 HydrophobicContact CB-CB 4.45Å; A225-V236 HydrophobicContact CB-CG1 4.26Å; F228-V236 HydrophobicContact CB-CG2 4.5Å; F228-V236 HydrophobicContact CD1-CG2 3.84Å; F228-V236 HydrophobicContact CD2-CB 4.25Å; F228-V236 HydrophobicContact CD2-CG1 3.81Å; F228-V236 HydrophobicContact CD2-CG2 3.94Å; F228-V236 HydrophobicContact CE1-CG2 3.92Å; F228-V236 HydrophobicContact CE2-CB 4.44Å; F228-V236 HydrophobicContact CE2-CG1 3.67Å; F228-V236 HydrophobicContact CE2-CG2 4.06Å; F228-V236 HydrophobicContact CG-CG2 3.83Å; F228-V236 HydrophobicContact CZ-CG1 4.23Å; F228-V236 HydrophobicContact CZ-CG2 4.02Å; L232-V236 WeakPolarHBondContact O-CG2 3.38Å; L232-V236 PolarHBondContact O-N 2.84Å; Q233-V236 PolarHBondContact O-N 3.32Å; V236-L239 PolarHBondContact O-N 3.28Å; V236-A240 VanDerWaalsContact O-CB 3.26Å; V236-A240 WeakPolarHBondContact O-CB 3.43Å; V236-A240 PolarHBondContact O-N 3.27Å |
| 237 | G | 86.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q233 P234 V235 A240 N241 | Q233-G237 WeakPolarHBondContact O-CA 3.36Å; Q233-G237 PolarHBondContact O-N 3.04Å; P234-G237 PolarHBondContact O-N 3.01Å; V235-G237 VanDerWaalsContact C-N 3.34Å; G237-A240 PolarHBondContact O-N 3.44Å; G237-N241 WeakPolarHBondContact O-CB 3.47Å; G237-N241 PolarHBondContact O-N 3.1Å; G237-N241 PolarHBondContact O-ND2 2.96Å; G237-N241 VanDerWaalsContact O-ND2 3.13Å |
| 238 | L | 88.4 | Confident | 85.2 | Confident | 121 Ų | 121 | 78.2 Ų | 78.2 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -48.6 | 173.1 | -70.4 | 172.1 | 0 | 0 | 0 | 111.2 | P234 V235 A240 N241 L242 | P234-L238 WeakPolarHBondContact O-CG 3.21Å; P234-L238 PolarHBondContact O-N 2.72Å; V235-L238 PolarHBondContact O-N 3.13Å; L238-A240 PolarHBondContact O-N 3.02Å; L238-N241 PolarHBondContact O-N 2.97Å; L238-L242 WeakPolarHBondContact O-CG 3.24Å; L238-L242 PolarHBondContact O-N 2.78Å |
| 239 | L | 87.9 | Confident | 84.8 | Confident | 111 Ų | 111 | 85 Ų | 85 | 58% | 0.581 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | -179.4 | -171.2 | 61.5 | 0 | 0 | 0 | 112.3 | V235 V236 N241 L242 V243 | V235-L239 PolarHBondContact O-N 2.97Å; V235-L239 VanDerWaalsContact O-N 3.13Å; V236-L239 PolarHBondContact O-N 3.28Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 3.13Å; L239-L242 PolarHBondContact O-N 3.4Å; L239-V243 WeakPolarHBondContact O-CG2 3.18Å; L239-V243 PolarHBondContact O-N 2.98Å |
| 240 | A | 85.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 28% | 0.281 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V236 G237 L238 V243 H244 | V236-A240 VanDerWaalsContact O-CB 3.26Å; V236-A240 WeakPolarHBondContact O-CB 3.43Å; V236-A240 PolarHBondContact O-N 3.27Å; G237-A240 PolarHBondContact O-N 3.44Å; L238-A240 PolarHBondContact O-N 3.02Å; A240-V243 PolarHBondContact O-N 3.46Å; A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.39Å |
| 241 | N | 84.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 89.6 Ų | 89.6 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.7 | -37.1 | 176.6 | -73.3 | -25.5 | 0 | 0 | 0 | 112.4 | G237 L238 L239 S245 | G237-N241 WeakPolarHBondContact O-CB 3.47Å; G237-N241 PolarHBondContact O-N 3.1Å; G237-N241 PolarHBondContact O-ND2 2.96Å; G237-N241 VanDerWaalsContact O-ND2 3.13Å; L238-N241 PolarHBondContact O-N 2.97Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 3.13Å; N241-S245 VanDerWaalsContact O-CB 3.29Å; N241-S245 WeakPolarHBondContact O-CB 3.09Å; N241-S245 PolarHBondContact O-N 2.84Å; N241-S245 PolarHBondContact O-OG 3.09Å |
| 242 | L | 86 | Confident | 82.9 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.2 | -47.5 | 174.2 | -70.1 | 174.7 | 0 | 0 | 0 | 111.4 | L238 L239 S245 L246 | L238-L242 WeakPolarHBondContact O-CG 3.24Å; L238-L242 PolarHBondContact O-N 2.78Å; L239-L242 PolarHBondContact O-N 3.4Å; L242-S245 PolarHBondContact O-N 3.46Å; L242-L246 WeakPolarHBondContact O-CB 3.28Å; L242-L246 PolarHBondContact O-N 3.16Å |
| 243 | V | 82.2 | Confident | 81.6 | Confident | 76 Ų | 76 | 86.1 Ų | 86.1 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L239 A240 S245 L246 L247 | L239-V243 WeakPolarHBondContact O-CG2 3.18Å; L239-V243 PolarHBondContact O-N 2.98Å; A240-V243 PolarHBondContact O-N 3.46Å; V243-S245 PolarHBondContact O-N 3.23Å; V243-L246 PolarHBondContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 3.72Å; V243-L247 WeakPolarHBondContact O-CB 3.16Å; V243-L247 WeakPolarHBondContact O-CD1 3.4Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 3.07Å |
| 244 | H | 77.9 | Confident | 80.3 | Confident | 60 Ų | 60 | 92 Ų | 92 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.2 | 179.7 | -92.3 | 0 | 0 | 0 | 111.8 | A240 L246 L247 V248 | A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.39Å; H244-L246 VanDerWaalsContact C-N 3.31Å; H244-L246 PolarHBondContact O-N 3.3Å; H244-L247 PolarHBondContact O-N 3.08Å; H244-V248 VanDerWaalsContact O-CG2 3.32Å; H244-V248 WeakPolarHBondContact O-CG2 3.41Å; H244-V248 PolarHBondContact O-N 3.38Å |
| 245 | S | 80.4 | Confident | 78.8 | Confident | 73 Ų | 73 | 94.8 Ų | 94.8 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | N241 L242 V243 K249 | N241-S245 VanDerWaalsContact O-CB 3.29Å; N241-S245 WeakPolarHBondContact O-CB 3.09Å; N241-S245 PolarHBondContact O-N 2.84Å; N241-S245 PolarHBondContact O-OG 3.09Å; L242-S245 PolarHBondContact O-N 3.46Å; V243-S245 PolarHBondContact O-N 3.23Å; S245-K249 WeakPolarHBondContact O-CB 3.46Å; S245-K249 PolarHBondContact O-N 3.47Å |
| 246 | L | 81.6 | Confident | 77.3 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 174.6 | -173.6 | 67.5 | 0 | 0 | 0 | 111.3 | L242 V243 H244 V248 K249 V250 | L242-L246 WeakPolarHBondContact O-CB 3.28Å; L242-L246 PolarHBondContact O-N 3.16Å; V243-L246 PolarHBondContact O-N 3.14Å; H244-L246 VanDerWaalsContact C-N 3.31Å; H244-L246 PolarHBondContact O-N 3.3Å; L246-V248 PolarHBondContact O-N 2.86Å; L246-K249 WeakPolarHBondContact O-CB 3.35Å; L246-K249 PolarHBondContact O-N 3.12Å; L246-K249 VanDerWaalsContact O-N 3.14Å; L246-V250 WeakPolarHBondContact O-CG2 3.49Å; L246-V250 PolarHBondContact O-N 3.05Å |
| 247 | L | 76.6 | Confident | 75.6 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.7 | -78.4 | 157.2 | 0 | 0 | 0 | 113 | V243 H244 K249 V250 K251 I252 C253 | V243-L247 HydrophobicContact CG1-CD1 3.72Å; V243-L247 WeakPolarHBondContact O-CB 3.16Å; V243-L247 WeakPolarHBondContact O-CD1 3.4Å; V243-L247 WeakPolarHBondContact O-CG 3.26Å; V243-L247 PolarHBondContact O-N 3.07Å; H244-L247 PolarHBondContact O-N 3.08Å; L247-K249 VanDerWaalsContact C-N 3.35Å; L247-V250 PolarHBondContact O-N 3.19Å; L247-K251 PolarHBondContact O-N 2.61Å; L247-I252 HydrophobicContact CD2-CB 4.13Å; L247-I252 HydrophobicContact CD2-CD1 4.35Å; L247-I252 HydrophobicContact CD2-CG2 4.02Å; L247-I252 PolarHBondContact O-N 3.12Å; L247-C253 HydrophobicContact CB-CB 4.13Å; L247-C253 PolarHBondContact O-N 3.31Å |
| 248 | V | 77.1 | Confident | 74 | Confident | 45 Ų | 45 | 99.3 Ų | 99.3 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | H244 L246 V250 K251 C253 | H244-V248 VanDerWaalsContact O-CG2 3.32Å; H244-V248 WeakPolarHBondContact O-CG2 3.41Å; H244-V248 PolarHBondContact O-N 3.38Å; L246-V248 PolarHBondContact O-N 2.86Å; V248-V250 VanDerWaalsContact C-N 3.35Å; V248-V250 PolarHBondContact O-N 2.99Å; V248-K251 WeakPolarHBondContact O-CA 3.27Å; V248-K251 PolarHBondContact O-N 3.12Å; V248-C253 HydrophobicContact CG2-CB 4.07Å |
| 249 | K | 79.6 | Confident | 72.1 | Confident | 179 Ų | 179 | 104.1 Ų | 104.1 | 78% | 0.778 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 176.7 | -171.5 | 175.5 | -179.7 | 178.7 | 0 | 112.4 | S245 L246 L247 K251 | S245-K249 WeakPolarHBondContact O-CB 3.46Å; S245-K249 PolarHBondContact O-N 3.47Å; L246-K249 WeakPolarHBondContact O-CB 3.35Å; L246-K249 PolarHBondContact O-N 3.12Å; L246-K249 VanDerWaalsContact O-N 3.14Å; L247-K249 VanDerWaalsContact C-N 3.35Å; K249-K251 PolarHBondContact O-N 2.65Å |
| 250 | V | 82.8 | Confident | 70.1 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.1 | 174.4 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | L246 L247 V248 I252 | L246-V250 WeakPolarHBondContact O-CG2 3.49Å; L246-V250 PolarHBondContact O-N 3.05Å; L247-V250 PolarHBondContact O-N 3.19Å; V248-V250 VanDerWaalsContact C-N 3.35Å; V248-V250 PolarHBondContact O-N 2.99Å; V250-I252 HydrophobicContact CB-CD1 4.09Å; V250-I252 HydrophobicContact CB-CG1 4.18Å; V250-I252 HydrophobicContact CG1-CD1 3.59Å; V250-I252 HydrophobicContact CG1-CG1 3.84Å; V250-I252 PolarHBondContact O-N 3.23Å |
| 251 | K | 70 | Confident | 68.2 | Low | 190 Ų | 190 | 108.1 Ų | 108.1 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 17.3 | -177.1 | -61.3 | -177.5 | 172.3 | 177.8 | 0 | 114.7 | L247 V248 K249 | L247-K251 PolarHBondContact O-N 2.61Å; V248-K251 WeakPolarHBondContact O-CA 3.27Å; V248-K251 PolarHBondContact O-N 3.12Å; K249-K251 PolarHBondContact O-N 2.65Å |
| 252 | I | 67.6 | Low | 66.6 | Low | 120 Ų | 120 | 109 Ų | 109 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -75.8 | -35.4 | 175.6 | -62.7 | 171.7 | 0 | 0 | 0 | 109.8 | L247 V250 | L247-I252 HydrophobicContact CD2-CB 4.13Å; L247-I252 HydrophobicContact CD2-CD1 4.35Å; L247-I252 HydrophobicContact CD2-CG2 4.02Å; L247-I252 PolarHBondContact O-N 3.12Å; V250-I252 HydrophobicContact CB-CD1 4.09Å; V250-I252 HydrophobicContact CB-CG1 4.18Å; V250-I252 HydrophobicContact CG1-CD1 3.59Å; V250-I252 HydrophobicContact CG1-CG1 3.84Å; V250-I252 PolarHBondContact O-N 3.23Å |
| 253 | C | 60.7 | Low | 64.8 | Low | 43 Ų | 43 | 106.4 Ų | 106.4 | 29% | 0.291 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -107.4 | 136.2 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L247 V248 | L247-C253 HydrophobicContact CB-CB 4.13Å; L247-C253 PolarHBondContact O-N 3.31Å; V248-C253 HydrophobicContact CG2-CB 4.07Å |
| 254 | Q | 61.3 | Low | 63.1 | Low | 182 Ų | 182 | 105.5 Ų | 105.5 | 85% | 0.85 | 55% | 0.548 | S | S | * | . | trans | -74.2 | 140.8 | 165.4 | -65 | -167.9 | -7.5 | 0 | 0 | 109.3 | T256 | Q254-T256 PolarHBondContact O-N 2.91Š| ||
| 255 | K | 57.9 | Low | 61.4 | Low | 142 Ų | 142 | 109.2 Ų | 109.2 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | trans | -55.6 | 116.6 | 173.2 | -166.5 | 172.7 | -177.6 | -177.9 | 0 | 107.5 | V257 P273 | K255-V257 PolarHBondContact O-N 3.34Å; K255-P273 HydrophobicContact CD-CB 4.16Å; K255-P273 HydrophobicContact CD-CG 3.98Å; K255-P273 HydrophobicContact CG-CG 4.34Å | ||
| 256 | T | 59 | Low | 59.8 | Low | 57 Ų | 57 | 108.6 Ų | 108.6 | 35% | 0.35 | 57% | 0.572 | S | S | . | * | trans | -59 | 108.1 | -178.9 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | F207 Q254 K258 | F207-T256 HydrophobicContact CE1-CG2 4.09Å; Q254-T256 PolarHBondContact O-N 2.91Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.44Å | ||
| 257 | V | 53.5 | Low | 58 | Low | 76 Ų | 76 | 108.7 Ų | 108.7 | 46% | 0.461 | 58% | 0.583 | S | S | . | * | trans | -72.9 | 95.5 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 105.8 | K255 R259 L272 P273 | K255-V257 PolarHBondContact O-N 3.34Å; V257-R259 PolarHBondContact O-N 3.33Å; V257-L272 HydrophobicContact CG1-CD1 4.22Å; V257-P273 HydrophobicContact CG2-CG 4.14Å | ||
| 258 | K | 54.1 | Low | 56.7 | Low | 95 Ų | 95 | 110.5 Ų | 110.5 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | trans | -58.3 | 107.3 | 167.5 | -74.6 | -167.5 | 173.2 | -159.5 | 0 | 106.8 | D220 T256 Y260 | D220-K258 IonicContact OD1-NZ 3.46Å; D220-K258 PolarHBondContact OD1-NZ 3.48Å; D220-K258 IonicContact OD2-NZ 2.84Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.44Å; K258-Y260 HydrophobicContact CB-CD2 4.09Å; K258-Y260 HydrophobicContact CB-CE2 3.51Å; K258-Y260 HydrophobicContact CD-CE2 4.34Å; K258-Y260 WeakPolarHBondContact CD-OH 3.49Å; K258-Y260 WeakPolarHBondContact O-CD2 3.35Å; K258-Y260 PolarHBondContact O-N 2.98Å; K258-Y260 VanDerWaalsContact O-N 3.1Å | ||
| 259 | R | 47.8 | Very low | 55.5 | Low | 221 Ų | 221 | 113.1 Ų | 113.1 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | trans | -73.1 | 99.6 | 169.2 | -77 | -170.1 | 178.6 | 161.7 | -1.2 | 106.8 | V257 | V257-R259 PolarHBondContact O-N 3.33Š| ||
| 260 | Y | 45.9 | Very low | 54.2 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | trans | -77 | 120.5 | 164 | -66.2 | -86.3 | 0 | 0 | 0 | 106.9 | K258 V262 I270 | K258-Y260 HydrophobicContact CB-CD2 4.09Å; K258-Y260 HydrophobicContact CB-CE2 3.51Å; K258-Y260 HydrophobicContact CD-CE2 4.34Å; K258-Y260 WeakPolarHBondContact CD-OH 3.49Å; K258-Y260 WeakPolarHBondContact O-CD2 3.35Å; K258-Y260 PolarHBondContact O-N 2.98Å; K258-Y260 VanDerWaalsContact O-N 3.1Å; Y260-V262 PolarHBondContact O-N 3.01Å; Y260-V262 VanDerWaalsContact O-N 3.15Å; Y260-I270 HydrophobicContact CD2-CG1 4.45Å | ||
| 261 | D | 46.2 | Very low | 52.5 | Low | 131 Ų | 131 | 108 Ų | 108 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -65.7 | 111 | 169.5 | -170.8 | -5.7 | 0 | 0 | 0 | 107.7 | G263 | D261-G263 PolarHBondContact O-N 3.19Å; D261-G263 VanDerWaalsContact O-N 3.16Å; D261-G263 PolarHBondContact OD1-N 2.79Å; D261-G263 VanDerWaalsContact OD1-N 3.1Å | ||
| 262 | V | 49.7 | Very low | 51.7 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 73% | 0.733 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -2 | 179.4 | -72.7 | 0 | 0 | 0 | 0 | 112.7 | Y260 I270 | Y260-V262 PolarHBondContact O-N 3.01Å; Y260-V262 VanDerWaalsContact O-N 3.15Å; V262-I270 HydrophobicContact CG1-CD1 3.35Å |
| 263 | G | 48 | Very low | 50.7 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 68% | 0.68 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -17.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D261 | D261-G263 PolarHBondContact O-N 3.19Å; D261-G263 VanDerWaalsContact O-N 3.16Å; D261-G263 PolarHBondContact OD1-N 2.79Å; D261-G263 VanDerWaalsContact OD1-N 3.1Å |
| 264 | A | 47.4 | Very low | 50.5 | Low | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -101.6 | 130.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S266 | A264-S266 PolarHBondContact O-N 2.88Š|
| 265 | P | 41.3 | Very low | 50.4 | Low | 138 Ų | 138 | 95.9 Ų | 95.9 | 90% | 0.896 | 57% | 0.566 | S | S | * | * | trans | -74.6 | 69.7 | 179.9 | 33.6 | -34.3 | 0 | 0 | 0 | 109.2 | ||||
| 266 | S | 47.4 | Very low | 50.6 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | trans | -89.9 | 126.7 | 162.2 | 57.4 | 0 | 0 | 0 | 0 | 107.1 | A264 I268 | A264-S266 PolarHBondContact O-N 2.88Å; S266-I268 PolarHBondContact O-N 3.19Å | ||
| 267 | S | 45.1 | Very low | 51 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 79% | 0.79 | 57% | 0.571 | S | S | * | * | trans | -67.5 | 19.5 | 179.9 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | T269 | S267-T269 PolarHBondContact O-N 3.3Š| ||
| 268 | I | 49.4 | Very low | 52 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -88.5 | 106.9 | -175.3 | -58.9 | 173.9 | 0 | 0 | 0 | 108.3 | S266 I270 | S266-I268 PolarHBondContact O-N 3.19Å; I268-I270 PolarHBondContact O-N 3.21Å | ||
| 269 | T | 51.2 | Low | 53 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | trans | -54.1 | 114.7 | 170.2 | 22 | 0 | 0 | 0 | 0 | 111.1 | S267 S271 | S267-T269 PolarHBondContact O-N 3.3Å; T269-S271 PolarHBondContact O-N 3.23Å | ||
| 270 | I | 51.6 | Low | 54.2 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 32% | 0.323 | 55% | 0.554 | S | S | . | * | trans | -72.7 | 105.8 | 178.9 | -62.9 | 173.2 | 0 | 0 | 0 | 108.9 | Y260 V262 I268 L272 | Y260-I270 HydrophobicContact CD2-CG1 4.45Å; V262-I270 HydrophobicContact CG1-CD1 3.35Å; I268-I270 PolarHBondContact O-N 3.21Å; I270-L272 HydrophobicContact CG2-CD1 3.93Å; I270-L272 PolarHBondContact O-N 3.15Å | ||
| 271 | S | 47.5 | Very low | 55.9 | Low | 100 Ų | 100 | 87.1 Ų | 87.1 | 70% | 0.699 | 55% | 0.552 | S | S | * | * | trans | -85.6 | 89.5 | 166.4 | 46.6 | 0 | 0 | 0 | 0 | 109.1 | T269 | T269-S271 PolarHBondContact O-N 3.23Š| ||
| 272 | L | 53 | Low | 57.7 | Low | 87 Ų | 87 | 89.1 Ų | 89.1 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | trans | -67.1 | 127.7 | 169.1 | -135.4 | 72.5 | 0 | 0 | 0 | 108.4 | V257 I270 G274 T275 | V257-L272 HydrophobicContact CG1-CD1 4.22Å; I270-L272 HydrophobicContact CG2-CD1 3.93Å; I270-L272 PolarHBondContact O-N 3.15Å; L272-G274 PolarHBondContact O-N 3.35Å; L272-T275 PolarHBondContact O-N 3.1Å | ||
| 273 | P | 46.5 | Very low | 59.2 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 111.8 | 175.8 | -22.5 | 33.9 | 0 | 0 | 0 | 110.3 | K255 V257 | K255-P273 HydrophobicContact CD-CB 4.16Å; K255-P273 HydrophobicContact CD-CG 3.98Å; K255-P273 HydrophobicContact CG-CG 4.34Å; V257-P273 HydrophobicContact CG2-CG 4.14Å |
| 274 | G | 57.7 | Low | 60.8 | Low | 87 Ų | 87 | 94.6 Ų | 94.6 | 90% | 0.897 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | -8.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L272 | L272-G274 PolarHBondContact O-N 3.35Š|
| 275 | T | 57.9 | Low | 62.9 | Low | 40 Ų | 40 | 96.3 Ų | 96.3 | 25% | 0.245 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -101.1 | 116.5 | 167.5 | -55.2 | 0 | 0 | 0 | 0 | 107.9 | L272 D279 A280 | L272-T275 PolarHBondContact O-N 3.1Å; T275-D279 HydrophobicContact CG2-CB 4.25Å; T275-A280 HydrophobicContact CG2-CB 4.29Å |
| 276 | D | 63 | Low | 65.3 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | trans | -56.6 | 129.8 | 175.8 | -146.4 | -43.9 | 0 | 0 | 0 | 108.6 | Q278 D279 A280 | D276-Q278 PolarHBondContact O-N 3.16Å; D276-D279 HydrophobicContact CB-CB 4.46Å; D276-D279 WeakPolarHBondContact O-CB 3.48Å; D276-D279 PolarHBondContact O-N 2.72Å; D276-A280 PolarHBondContact O-N 3.08Å | ||
| 277 | P | 66.4 | Low | 67.3 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -50.3 | -30.2 | 177.2 | 17.9 | -34.1 | 0 | 0 | 0 | 113 | A280 E281 | P277-A280 PolarHBondContact O-N 2.86Å; P277-E281 WeakPolarHBondContact O-CB 3.42Å; P277-E281 PolarHBondContact O-N 3.42Å |
| 278 | Q | 74.3 | Confident | 69.5 | Low | 149 Ų | 149 | 94.2 Ų | 94.2 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | 175.4 | -64.6 | -172.7 | -35.4 | 0 | 0 | 112.8 | D276 E281 R282 | D276-Q278 PolarHBondContact O-N 3.16Å; Q278-E281 PolarHBondContact O-N 3.49Å; Q278-R282 VanDerWaalsContact O-CB 3.27Å; Q278-R282 WeakPolarHBondContact O-CB 3.27Å; Q278-R282 PolarHBondContact O-N 3.02Å |
| 279 | D | 75 | Confident | 71.6 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 177.4 | -81.8 | -26.2 | 0 | 0 | 0 | 112 | T275 D276 R282 R283 | T275-D279 HydrophobicContact CG2-CB 4.25Å; D276-D279 HydrophobicContact CB-CB 4.46Å; D276-D279 WeakPolarHBondContact O-CB 3.48Å; D276-D279 PolarHBondContact O-N 2.72Å; D279-R282 PolarHBondContact O-N 3.47Å; D279-R283 WeakPolarHBondContact O-CB 3.44Å; D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.42Å |
| 280 | A | 73.4 | Confident | 73.6 | Confident | 36 Ų | 36 | 93.9 Ų | 93.9 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | T275 D276 P277 R283 R284 | T275-A280 HydrophobicContact CG2-CB 4.29Å; D276-A280 PolarHBondContact O-N 3.08Å; P277-A280 PolarHBondContact O-N 2.86Å; A280-R283 PolarHBondContact O-N 3.36Å; A280-R284 WeakPolarHBondContact O-CB 3.46Å; A280-R284 PolarHBondContact O-N 2.93Å |
| 281 | E | 82.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.1 | -173.9 | 54.8 | -147.3 | 0 | 0 | 111.5 | P277 Q278 R283 R284 Q285 | P277-E281 WeakPolarHBondContact O-CB 3.42Å; P277-E281 PolarHBondContact O-N 3.42Å; Q278-E281 PolarHBondContact O-N 3.49Å; E281-R283 PolarHBondContact O-N 2.91Å; E281-R284 WeakPolarHBondContact O-CB 3.42Å; E281-R284 PolarHBondContact O-N 3.18Å; E281-Q285 WeakPolarHBondContact O-CG 3.37Å; E281-Q285 PolarHBondContact O-N 3.33Å; E281-Q285 PolarHBondContact OE1-NE2 3.06Å; E281-Q285 VanDerWaalsContact OE1-NE2 3.17Å |
| 282 | R | 82.8 | Confident | 77.8 | Confident | 172 Ų | 172 | 95.7 Ų | 95.7 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.3 | -45.2 | 174 | -176.5 | -176.4 | 176.3 | -163.9 | 0.5 | 112 | Q278 D279 Q285 L286 | Q278-R282 VanDerWaalsContact O-CB 3.27Å; Q278-R282 WeakPolarHBondContact O-CB 3.27Å; Q278-R282 PolarHBondContact O-N 3.02Å; D279-R282 PolarHBondContact O-N 3.47Å; R282-Q285 PolarHBondContact O-N 3.39Å; R282-L286 WeakPolarHBondContact O-CB 3.26Å; R282-L286 PolarHBondContact O-N 2.95Å |
| 283 | R | 81.6 | Confident | 79.6 | Confident | 176 Ų | 176 | 96.3 Ų | 96.3 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 176.5 | -72.8 | 175 | -172.1 | -168.6 | 3.6 | 111.5 | D279 A280 E281 L286 A287 | D279-R283 WeakPolarHBondContact O-CB 3.44Å; D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.42Å; A280-R283 PolarHBondContact O-N 3.36Å; E281-R283 PolarHBondContact O-N 2.91Å; R283-L286 PolarHBondContact O-N 2.99Å; R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.45Å |
| 284 | R | 82.2 | Confident | 81.7 | Confident | 127 Ų | 127 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.5 | -162 | -178.8 | -167.9 | 172.1 | 4.5 | 111.3 | A280 E281 L286 A287 L288 | A280-R284 WeakPolarHBondContact O-CB 3.46Å; A280-R284 PolarHBondContact O-N 2.93Å; E281-R284 WeakPolarHBondContact O-CB 3.42Å; E281-R284 PolarHBondContact O-N 3.18Å; R284-L286 PolarHBondContact O-N 3.3Å; R284-A287 PolarHBondContact O-N 3.17Å; R284-L288 HydrophobicContact CG-CD1 4.33Å; R284-L288 WeakPolarHBondContact O-CB 3.36Å; R284-L288 VanDerWaalsContact O-CG 3.31Å; R284-L288 WeakPolarHBondContact O-CG 3.4Å; R284-L288 PolarHBondContact O-N 3.48Å |
| 285 | Q | 91.2 | Very high | 83.1 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.4 | -71.8 | 177.6 | 8.2 | 0 | 0 | 112.3 | E281 R282 L288 K289 | E281-Q285 WeakPolarHBondContact O-CG 3.37Å; E281-Q285 PolarHBondContact O-N 3.33Å; E281-Q285 PolarHBondContact OE1-NE2 3.06Å; E281-Q285 VanDerWaalsContact OE1-NE2 3.17Å; R282-Q285 PolarHBondContact O-N 3.39Å; Q285-L288 PolarHBondContact O-N 3.2Å; Q285-K289 WeakPolarHBondContact O-CB 3.31Å; Q285-K289 VanDerWaalsContact O-CG 3.26Å; Q285-K289 WeakPolarHBondContact O-CG 3.46Å; Q285-K289 PolarHBondContact O-N 3.37Å |
| 286 | L | 90.5 | Very high | 84.5 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 176.4 | -169 | 140.7 | 0 | 0 | 0 | 111.7 | R282 R283 R284 K289 A290 | R282-L286 WeakPolarHBondContact O-CB 3.26Å; R282-L286 PolarHBondContact O-N 2.95Å; R283-L286 PolarHBondContact O-N 2.99Å; R284-L286 PolarHBondContact O-N 3.3Å; L286-K289 PolarHBondContact O-N 3.1Å; L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 2.87Å |
| 287 | A | 90.4 | Very high | 85.5 | Confident | 58 Ų | 58 | 109.3 Ų | 109.3 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R283 R284 A290 L291 | R283-A287 WeakPolarHBondContact O-CB 3.47Å; R283-A287 PolarHBondContact O-N 3.45Å; R284-A287 PolarHBondContact O-N 3.17Å; A287-A290 PolarHBondContact O-N 3.45Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 2.64Å |
| 288 | L | 91.9 | Very high | 86.4 | Confident | 89 Ų | 89 | 109.6 Ų | 109.6 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.1 | -74.4 | 171.3 | 0 | 0 | 0 | 112 | R284 Q285 L291 N292 | R284-L288 HydrophobicContact CG-CD1 4.33Å; R284-L288 WeakPolarHBondContact O-CB 3.36Å; R284-L288 VanDerWaalsContact O-CG 3.31Å; R284-L288 WeakPolarHBondContact O-CG 3.4Å; R284-L288 PolarHBondContact O-N 3.48Å; Q285-L288 PolarHBondContact O-N 3.2Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-N292 WeakPolarHBondContact O-CB 3.4Å; L288-N292 PolarHBondContact O-N 3.41Å |
| 289 | K | 92.1 | Very high | 86.8 | Confident | 149 Ų | 149 | 108 Ų | 108 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -47.7 | 173.1 | -77.5 | 175.7 | -178.7 | -178.4 | 0 | 111.6 | Q285 L286 L291 N292 E293 | Q285-K289 WeakPolarHBondContact O-CB 3.31Å; Q285-K289 VanDerWaalsContact O-CG 3.26Å; Q285-K289 WeakPolarHBondContact O-CG 3.46Å; Q285-K289 PolarHBondContact O-N 3.37Å; L286-K289 PolarHBondContact O-N 3.1Å; K289-L291 VanDerWaalsContact C-N 3.28Å; K289-L291 PolarHBondContact O-N 3.39Å; K289-N292 PolarHBondContact O-N 2.87Å; K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 PolarHBondContact O-N 3.1Å |
| 290 | A | 93.1 | Very high | 87 | Confident | 39 Ų | 39 | 108.9 Ų | 108.9 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L286 A287 R294 | L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 2.87Å; A287-A290 PolarHBondContact O-N 3.45Å; A290-R294 WeakPolarHBondContact O-CG 3.35Å; A290-R294 PolarHBondContact O-N 2.84Å; A290-R294 VanDerWaalsContact O-N 3.1Å |
| 291 | L | 93.3 | Very high | 87 | Confident | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -48.6 | 174.2 | -175.5 | 66.5 | 0 | 0 | 0 | 111.2 | A287 L288 K289 E293 R294 L295 | A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 2.64Å; L288-L291 PolarHBondContact O-N 3.39Å; K289-L291 VanDerWaalsContact C-N 3.28Å; K289-L291 PolarHBondContact O-N 3.39Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 2.9Å; L291-R294 PolarHBondContact O-N 3.39Å; L291-R294 VanDerWaalsContact O-N 3.14Å; L291-L295 WeakPolarHBondContact O-CB 3.34Å; L291-L295 PolarHBondContact O-N 2.87Å |
| 292 | N | 93.9 | Very high | 86.2 | Confident | 108 Ų | 108 | 114.9 Ų | 114.9 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 177.1 | -82.1 | -4.2 | 0 | 0 | 0 | 112.1 | L288 K289 L295 K296 | L288-N292 WeakPolarHBondContact O-CB 3.4Å; L288-N292 PolarHBondContact O-N 3.41Å; K289-N292 PolarHBondContact O-N 2.87Å; N292-L295 PolarHBondContact O-N 2.85Å; N292-K296 WeakPolarHBondContact O-CB 3.43Å; N292-K296 PolarHBondContact O-N 3.43Å |
| 293 | E | 92 | Very high | 84.8 | Confident | 99 Ų | 99 | 112.6 Ų | 112.6 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.8 | -171.7 | -175.9 | 166.8 | 0 | 0 | 111.6 | K289 L291 R297 | K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 PolarHBondContact O-N 3.1Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 2.9Å; E293-R297 WeakPolarHBondContact O-CB 3.21Å; E293-R297 WeakPolarHBondContact O-CG 3.45Å; E293-R297 PolarHBondContact O-N 3.29Å; E293-R297 IonicContact OE1-CZ 3.86Å; E293-R297 IonicContact OE1-NH1 3.23Å; E293-R297 PolarHBondContact OE1-NH1 2.96Å; E293-R297 IonicContact OE1-NH2 3.89Å; E293-R297 PolarHBondContact OE1-NH2 3.02Å |
| 294 | R | 89.6 | Confident | 83.4 | Confident | 178 Ų | 178 | 114.8 Ų | 114.8 | 67% | 0.672 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -42.4 | 173.4 | -74 | 176.6 | -178.4 | -170.6 | -0.5 | 111.8 | A290 L291 R297 V298 | A290-R294 WeakPolarHBondContact O-CG 3.35Å; A290-R294 PolarHBondContact O-N 2.84Å; A290-R294 VanDerWaalsContact O-N 3.1Å; L291-R294 PolarHBondContact O-N 3.39Å; L291-R294 VanDerWaalsContact O-N 3.14Å; R294-R297 PolarHBondContact O-N 2.88Å; R294-V298 WeakPolarHBondContact O-CG2 3.47Å; R294-V298 PolarHBondContact O-N 3.38Å |
| 295 | L | 87.7 | Confident | 81.8 | Confident | 103 Ų | 103 | 114.3 Ų | 114.3 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.9 | -41.4 | -178.7 | -149 | 141 | 0 | 0 | 0 | 110.6 | L291 N292 V298 E299 | L291-L295 WeakPolarHBondContact O-CB 3.34Å; L291-L295 PolarHBondContact O-N 2.87Å; N292-L295 PolarHBondContact O-N 2.85Å; L295-V298 PolarHBondContact O-N 2.72Å; L295-E299 WeakPolarHBondContact O-CB 3.35Å; L295-E299 PolarHBondContact O-N 3.14Å |
| 296 | K | 88.1 | Confident | 79.6 | Confident | 127 Ų | 127 | 114.5 Ų | 114.5 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -42.2 | 172.3 | -172.4 | 178.3 | 177.6 | -176.4 | 0 | 112.4 | N292 V298 E299 D300 | N292-K296 WeakPolarHBondContact O-CB 3.43Å; N292-K296 PolarHBondContact O-N 3.43Å; K296-V298 VanDerWaalsContact C-N 3.26Å; K296-V298 PolarHBondContact O-N 2.88Å; K296-E299 PolarHBondContact O-N 3.37Å; K296-E299 VanDerWaalsContact O-N 3.16Å; K296-D300 WeakPolarHBondContact O-CB 3.45Å; K296-D300 PolarHBondContact O-N 3.4Å |
| 297 | R | 83.8 | Confident | 77.3 | Confident | 145 Ų | 145 | 117.5 Ų | 117.5 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.9 | -37.1 | 174 | -79.8 | 179.7 | 179.7 | 135 | 7.1 | 112.7 | E293 R294 Q301 | E293-R297 WeakPolarHBondContact O-CB 3.21Å; E293-R297 WeakPolarHBondContact O-CG 3.45Å; E293-R297 PolarHBondContact O-N 3.29Å; E293-R297 IonicContact OE1-CZ 3.86Å; E293-R297 IonicContact OE1-NH1 3.23Å; E293-R297 PolarHBondContact OE1-NH1 2.96Å; E293-R297 IonicContact OE1-NH2 3.89Å; E293-R297 PolarHBondContact OE1-NH2 3.02Å; R294-R297 PolarHBondContact O-N 2.88Å; R297-Q301 PolarHBondContact O-N 3.32Å; R297-Q301 VanDerWaalsContact O-N 3.16Å |
| 298 | V | 84.2 | Confident | 75.1 | Confident | 97 Ų | 97 | 120.9 Ų | 120.9 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.7 | -39.4 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | R294 L295 K296 Q301 S302 | R294-V298 WeakPolarHBondContact O-CG2 3.47Å; R294-V298 PolarHBondContact O-N 3.38Å; L295-V298 PolarHBondContact O-N 2.72Å; K296-V298 VanDerWaalsContact C-N 3.26Å; K296-V298 PolarHBondContact O-N 2.88Å; V298-Q301 PolarHBondContact O-N 2.8Å; V298-S302 PolarHBondContact O-N 3.23Å; V298-S302 VanDerWaalsContact O-N 3.08Å |
| 299 | E | 83.3 | Confident | 72.6 | Confident | 114 Ų | 114 | 124 Ų | 124 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65 | -45.8 | 175.6 | -169.7 | 171.3 | -167 | 0 | 0 | 111.8 | L295 K296 Q301 S302 I303 | L295-E299 WeakPolarHBondContact O-CB 3.35Å; L295-E299 PolarHBondContact O-N 3.14Å; K296-E299 PolarHBondContact O-N 3.37Å; K296-E299 VanDerWaalsContact O-N 3.16Å; E299-Q301 VanDerWaalsContact C-N 3.28Å; E299-Q301 PolarHBondContact O-N 3.16Å; E299-S302 WeakPolarHBondContact CA-OG 3.49Å; E299-S302 WeakPolarHBondContact O-CA 3.44Å; E299-S302 WeakPolarHBondContact O-CB 3.43Å; E299-S302 PolarHBondContact O-N 3.46Å; E299-S302 PolarHBondContact O-OG 3.14Å; E299-I303 PolarHBondContact O-N 2.82Å |
| 300 | D | 79.6 | Confident | 70.2 | Confident | 89 Ų | 89 | 124.5 Ų | 124.5 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.6 | -34.4 | 175.9 | -70 | -24.1 | 0 | 0 | 0 | 111.6 | K296 S302 | K296-D300 WeakPolarHBondContact O-CB 3.45Å; K296-D300 PolarHBondContact O-N 3.4Å; D300-S302 VanDerWaalsContact C-N 3.32Å |
| 301 | Q | 73.2 | Confident | 67.6 | Low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.3 | -24.6 | 171.4 | -87.6 | -176.8 | -18.3 | 0 | 0 | 113.6 | R297 V298 E299 | R297-Q301 PolarHBondContact O-N 3.32Å; R297-Q301 VanDerWaalsContact O-N 3.16Å; V298-Q301 PolarHBondContact O-N 2.8Å; E299-Q301 VanDerWaalsContact C-N 3.28Å; E299-Q301 PolarHBondContact O-N 3.16Å |
| 302 | S | 65.8 | Low | 65 | Low | 70 Ų | 70 | 136.8 Ų | 136.8 | 49% | 0.49 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -84.1 | -11.5 | 179.3 | 74.5 | 0 | 0 | 0 | 0 | 113.6 | V298 E299 D300 W304 | V298-S302 PolarHBondContact O-N 3.23Å; V298-S302 VanDerWaalsContact O-N 3.08Å; E299-S302 WeakPolarHBondContact CA-OG 3.49Å; E299-S302 WeakPolarHBondContact O-CA 3.44Å; E299-S302 WeakPolarHBondContact O-CB 3.43Å; E299-S302 PolarHBondContact O-N 3.46Å; E299-S302 PolarHBondContact O-OG 3.14Å; D300-S302 VanDerWaalsContact C-N 3.32Å; S302-W304 VanDerWaalsContact C-N 3.25Å; S302-W304 VanDerWaalsContact O-CD1 3.25Å; S302-W304 PolarHBondContact O-N 3.36Å |
| 303 | I | 53.4 | Low | 62 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -78.4 | 85.2 | 167.8 | -59.6 | 168.3 | 0 | 0 | 0 | 106.5 | E299 | E299-I303 PolarHBondContact O-N 2.82Š|
| 304 | W | 51.6 | Low | 59.2 | Low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -50 | 140.6 | 174.6 | -77.3 | 77.6 | 0 | 0 | 0 | 110.6 | S302 S306 | S302-W304 VanDerWaalsContact C-N 3.25Å; S302-W304 VanDerWaalsContact O-CD1 3.25Å; S302-W304 PolarHBondContact O-N 3.36Å; W304-S306 PolarHBondContact O-N 2.8Å |
| 305 | P | 49.8 | Very low | 56.5 | Low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117.1 | 174.4 | -15.3 | 27.8 | 0 | 0 | 0 | 108.7 | M307 | P305-M307 PolarHBondContact O-N 3.36Š|
| 306 | S | 44.4 | Very low | 53.8 | Low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.8 | 167.3 | -165.6 | 0 | 0 | 0 | 0 | 106.9 | W304 D308 | W304-S306 PolarHBondContact O-N 2.8Å; S306-D308 PolarHBondContact O-N 3.16Å |
| 307 | M | 42.6 | Very low | 51.2 | Low | 182 Ų | 182 | 139.2 Ų | 139.2 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | -79 | 64.8 | 175.9 | -169.4 | 170.3 | 82.4 | 0 | 0 | 108.6 | P305 | P305-M307 PolarHBondContact O-N 3.36Š| ||
| 308 | D | 43.7 | Very low | 48.7 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | -135 | 79.3 | 169.7 | -74.4 | -48.6 | 0 | 0 | 0 | 105.9 | S306 | S306-D308 PolarHBondContact O-N 3.16Š| ||
| 309 | D | 39.8 | Very low | 46.2 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -171.8 | 95 | 156.3 | -86 | -29.8 | 0 | 0 | 0 | 105.3 | ||||
| 310 | D | 41.6 | Very low | 43.5 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 159.1 | 74.8 | 147 | -78.1 | -24.6 | 0 | 0 | 0 | 108.9 | ||
| 311 | E | 39.1 | Very low | 41.7 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | trans | -161.3 | 47.8 | 148.6 | -107 | 167.7 | -145.6 | 0 | 0 | 109.6 | ||||
| 312 | E | 37 | Very low | 39.4 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 123.5 | 155.4 | -84 | -166.6 | 164.3 | 0 | 0 | 109.4 | ||||
| 313 | E | 31.9 | Very low | 38.1 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 54.4 | 105.1 | 147 | -63.8 | -168.2 | 145.7 | 0 | 0 | 119.2 | ||||
| 314 | S | 33.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | -177.8 | 119.6 | 122.3 | 156.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 315 | G | 32.4 | Very low | 35.7 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 108.2 | 87.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 316 | A | 31.5 | Very low | 34.7 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -50.9 | 135 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | K | 32.4 | Very low | 34 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 158.2 | 112.6 | 131.6 | -89.7 | 173.5 | 178.4 | 177.9 | 0 | 110.3 | ||||
| 318 | V | 31.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | 92.6 | 122.4 | 98.8 | 170.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 319 | D | 31.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | 66 | 109.5 | 157.9 | -66.2 | -30.2 | 0 | 0 | 0 | 121.7 | ||||
| 320 | S | 26.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 19 | 163 | 114 | -38.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 321 | P | 43.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | -132.6 | 158.9 | -52.5 | 36.5 | -20.6 | 0 | 0 | 0 | 113.1 | |||||
| 322 | L | 24.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 62.6 | 158.9 | 162.6 | -68 | 146.7 | 0 | 0 | 0 | 116.5 | ||||
| 323 | P | 36.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | cis | -124.7 | 152.1 | 6.7 | 37.7 | -20.9 | 0 | 0 | 0 | 114.6 | ||||
| 324 | S | 28.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 109.2 | 170.1 | 52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 325 | D | 27.8 | Very low | 32 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -151.7 | 143.2 | 159 | -135.8 | -13.8 | 0 | 0 | 0 | 111.2 | ||||
| 326 | K | 29.3 | Very low | 32 | Very low | 200 Ų | 200 | 126 Ų | 126 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | 87.5 | 113.2 | 171.5 | -107.4 | 169.5 | -179 | 172.4 | 0 | 121.5 | ||||
| 327 | A | 28.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -55.4 | 167.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 328 | P | 35.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | -149.7 | 158.5 | 59.8 | 36.9 | -14.1 | 0 | 0 | 0 | 119.1 | |||||
| 329 | T | 25.7 | Very low | 32.4 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 6.7 | 171.1 | 148.9 | 52 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 330 | P | 39.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -134.8 | -138.7 | -26.5 | 31.6 | -6.1 | 0 | 0 | 0 | 111.2 | ||||
| 331 | P | 43.7 | Very low | 33.2 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | -114.7 | 166.3 | -80.9 | 35.7 | -18.5 | 0 | 0 | 0 | 114.7 | |||||
| 332 | G | 32.2 | Very low | 33.1 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -167.2 | 109.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G334 | G332-G334 PolarHBondContact O-N 2.89Š| ||
| 333 | K | 30.2 | Very low | 33.5 | Very low | 214 Ų | 214 | 128 Ų | 128 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -54.2 | 122.1 | 177.5 | -78.2 | 169.8 | 169.9 | 175.5 | 0 | 111.6 | A335 | K333-A335 PolarHBondContact O-N 3.26Š| ||
| 334 | G | 29.4 | Very low | 33.4 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -66.9 | 110.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | G332 A336 | G332-G334 PolarHBondContact O-N 2.89Å; G334-A336 PolarHBondContact O-N 3.33Å | ||
| 335 | A | 31.6 | Very low | 33.8 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -81.8 | 106.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | K333 | K333-A335 PolarHBondContact O-N 3.26Š| ||
| 336 | A | 33.8 | Very low | 34.3 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 136.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G334 E338 | G334-A336 PolarHBondContact O-N 3.33Å; A336-E338 PolarHBondContact O-N 3.39Å; A336-E338 VanDerWaalsContact O-N 3.14Å | ||
| 337 | P | 35.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 106 | 180 | 28.4 | -30.9 | 0 | 0 | 0 | 109.6 | S339 | P337-S339 PolarHBondContact O-N 2.92Š| ||
| 338 | E | 32.7 | Very low | 35.6 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -68.1 | 123.9 | 165.9 | -77.8 | -173 | 154.2 | 0 | 0 | 109.6 | A336 S340 | A336-E338 PolarHBondContact O-N 3.39Å; A336-E338 VanDerWaalsContact O-N 3.14Å; E338-S340 PolarHBondContact O-N 3.08Å | ||
| 339 | S | 35 | Very low | 35.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -56 | 102.5 | 168 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | P337 L341 | P337-S339 PolarHBondContact O-N 2.92Å; S339-L341 PolarHBondContact O-N 2.65Å; S339-L341 VanDerWaalsContact O-N 3.1Å | ||
| 340 | S | 38.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 101.3 | 172.2 | 56.3 | 0 | 0 | 0 | 0 | 110 | E338 I342 | E338-S340 PolarHBondContact O-N 3.08Å; S340-I342 PolarHBondContact O-N 3.21Å | ||
| 341 | L | 35.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -54.3 | 113.5 | 169 | -162.2 | 144.9 | 0 | 0 | 0 | 109.7 | S339 T343 | S339-L341 PolarHBondContact O-N 2.65Å; S339-L341 VanDerWaalsContact O-N 3.1Å; L341-T343 PolarHBondContact O-N 2.99Å; L341-T343 VanDerWaalsContact O-N 3.08Å | ||
| 342 | I | 41 | Very low | 37.3 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 77% | 0.774 | 83% | 0.833 | S | S | * | * | trans | -66.6 | 107.7 | 177.3 | -63.3 | 167.2 | 0 | 0 | 0 | 107.8 | S340 | S340-I342 PolarHBondContact O-N 3.21Š| ||
| 343 | T | 33.5 | Very low | 37.6 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 71% | 0.712 | 84% | 0.835 | S | S | * | * | trans | -79.3 | 130.7 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | L341 E345 | L341-T343 PolarHBondContact O-N 2.99Å; L341-T343 VanDerWaalsContact O-N 3.08Å; T343-E345 PolarHBondContact O-N 2.94Å; T343-E345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | F | 35.2 | Very low | 38 | Very low | 201 Ų | 201 | 134.9 Ų | 134.9 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -70.1 | 103.9 | 176.9 | -69.5 | -89.4 | 0 | 0 | 0 | 109.9 | A346 | F344-A346 PolarHBondContact O-N 3.05Š| ||
| 345 | E | 37.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 121.8 | 173.3 | -164.4 | 160.1 | -179.9 | 0 | 0 | 109.9 | T343 | T343-E345 PolarHBondContact O-N 2.94Å; T343-E345 VanDerWaalsContact O-N 3.12Å |
| 346 | A | 37 | Very low | 39 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71 | 134.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F344 | F344-A346 PolarHBondContact O-N 3.05Š|
| 347 | A | 45.9 | Very low | 39.3 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 348 | P | 38.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 152.5 | -173.9 | 27.9 | -33.7 | 0 | 0 | 0 | 112.8 | T350 | P348-T350 PolarHBondContact O-N 3.19Š|
| 349 | P | 42.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122.3 | -178.6 | 29.8 | -32 | 0 | 0 | 0 | 110.6 | ||
| 350 | T | 51.3 | Low | 40.5 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120 | 165.6 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | P348 | P348-T350 PolarHBondContact O-N 3.19Š|
| 351 | L | 49.8 | Very low | 40.7 | Very low | 245 Ų | 245 | 147.2 Ų | 147.2 | 100% | 1.283 | 84% | 0.843 | S | S | * | * | trans | -56.4 | 0 | 166.9 | -76.2 | 166.4 | 0 | 0 | 0 | 112.2 |
Retrieved 351 of 351 residues in 159 ms
(Link to these results)