| 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 | 65.3 | Low | 79 | Confident | 199 Ų | 199 | 106.5 Ų | 106.5 | 98% | 0.98 | 59% | 0.589 | S | S | * | * | 0 | -47.5 | 0 | -61.6 | -178 | 74.5 | 0 | 0 | 112.3 | P3 A4 V5 | M1-P3 VanDerWaalsContact C-CD 3.45Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-A4 VanDerWaalsContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 2.88Å | |||
| 2 | I | 77 | Confident | 78.4 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -45.9 | -47.7 | 176.4 | -52.7 | 172.8 | 0 | 0 | 0 | 114.2 | A4 V5 V6 | I2-A4 VanDerWaalsContact C-N 3.31Å; I2-A4 PolarHBondContact O-N 3.44Å; I2-V5 PolarHBondContact O-N 2.9Å; I2-V5 VanDerWaalsContact O-N 3.16Å; I2-V6 HydrophobicContact CG2-CG2 4.18Å; I2-V6 WeakPolarHBondContact O-CG2 3.38Å; I2-V6 PolarHBondContact O-N 3.18Å |
| 3 | P | 83.3 | Confident | 77.9 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 58% | 0.578 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -36.2 | -177.7 | 23.6 | -34.9 | 0 | 0 | 0 | 112.9 | M1 V6 L7 | M1-P3 VanDerWaalsContact C-CD 3.45Å; P3-V6 PolarHBondContact O-N 3.34Å; P3-L7 WeakPolarHBondContact O-CB 3.34Å; P3-L7 VanDerWaalsContact O-CG 3.26Å; P3-L7 WeakPolarHBondContact O-CG 3.45Å; P3-L7 PolarHBondContact O-N 3.48Å |
| 4 | A | 84.3 | Confident | 77.2 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 51% | 0.512 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 I2 L7 L8 | M1-A4 PolarHBondContact O-N 3.08Å; M1-A4 VanDerWaalsContact O-N 3.1Å; I2-A4 VanDerWaalsContact C-N 3.31Å; I2-A4 PolarHBondContact O-N 3.44Å; A4-L7 PolarHBondContact O-N 3.29Å; A4-L8 WeakPolarHBondContact O-CB 3.41Å; A4-L8 PolarHBondContact O-N 3.44Å |
| 5 | V | 83.8 | Confident | 76.5 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.6 | -41.7 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | M1 I2 L8 L9 | M1-V5 PolarHBondContact O-N 2.88Å; I2-V5 PolarHBondContact O-N 2.9Å; I2-V5 VanDerWaalsContact O-N 3.16Å; V5-L8 PolarHBondContact O-N 3.1Å; V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 WeakPolarHBondContact O-CG 3.46Å; V5-L9 PolarHBondContact O-N 3.41Å |
| 6 | V | 83.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -44 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | I2 P3 L8 L9 L10 | I2-V6 HydrophobicContact CG2-CG2 4.18Å; I2-V6 WeakPolarHBondContact O-CG2 3.38Å; I2-V6 PolarHBondContact O-N 3.18Å; P3-V6 PolarHBondContact O-N 3.34Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.31Å; V6-L9 PolarHBondContact O-N 3.16Å; V6-L10 HydrophobicContact CG1-CD1 4.24Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.49Å |
| 7 | L | 82.7 | Confident | 74.8 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -42.2 | 174.4 | -74.2 | 167.8 | 0 | 0 | 0 | 111.8 | P3 A4 L10 L11 | P3-L7 WeakPolarHBondContact O-CB 3.34Å; P3-L7 VanDerWaalsContact O-CG 3.26Å; P3-L7 WeakPolarHBondContact O-CG 3.45Å; P3-L7 PolarHBondContact O-N 3.48Å; A4-L7 PolarHBondContact O-N 3.29Å; L7-L10 PolarHBondContact O-N 2.9Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.3Å |
| 8 | L | 82.3 | Confident | 74.2 | Confident | 117 Ų | 117 | 100.8 Ų | 100.8 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 176.9 | -173.5 | 68.4 | 0 | 0 | 0 | 111.8 | A4 V5 V6 L11 L12 | A4-L8 WeakPolarHBondContact O-CB 3.41Å; A4-L8 PolarHBondContact O-N 3.44Å; V5-L8 PolarHBondContact O-N 3.1Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.31Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 PolarHBondContact O-N 2.95Å |
| 9 | L | 77 | Confident | 73.5 | Confident | 101 Ų | 101 | 102 Ų | 102 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.9 | -41.8 | 175.6 | -76.7 | 171.9 | 0 | 0 | 0 | 111.9 | V5 V6 L12 V13 | V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 WeakPolarHBondContact O-CG 3.46Å; V5-L9 PolarHBondContact O-N 3.41Å; V6-L9 PolarHBondContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-V13 WeakPolarHBondContact O-CB 3.27Å; L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.31Å |
| 10 | L | 74.1 | Confident | 72.9 | Confident | 101 Ų | 101 | 100.6 Ų | 100.6 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -46 | 175.2 | -73.6 | 175.4 | 0 | 0 | 0 | 111.1 | V6 L7 L12 V13 E14 | V6-L10 HydrophobicContact CG1-CD1 4.24Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 2.9Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.93Å; L10-V13 PolarHBondContact O-N 3.47Å; L10-E14 PolarHBondContact O-N 2.87Å |
| 11 | L | 75.6 | Confident | 72.6 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -39.3 | 177.5 | -161.7 | 87.9 | 0 | 0 | 0 | 111.6 | L7 L8 Q15 | L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 WeakPolarHBondContact O-CG 3.37Å; L11-Q15 PolarHBondContact O-N 3.37Å; L11-Q15 VanDerWaalsContact O-N 3.08Å; L11-Q15 PolarHBondContact O-NE2 3.19Å |
| 12 | L | 72.6 | Confident | 72.8 | Confident | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.2 | -42.1 | 176 | -167.3 | 94.4 | 0 | 0 | 0 | 111.3 | L8 L9 L10 Q15 A16 | L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 2.88Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.87Å |
| 13 | V | 71.6 | Confident | 72.5 | Confident | 76 Ų | 76 | 97.4 Ų | 97.4 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 177.1 | 165.4 | 0 | 0 | 0 | 0 | 111.1 | L9 L10 A16 A17 | L9-V13 WeakPolarHBondContact O-CB 3.27Å; L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.31Å; L10-V13 PolarHBondContact O-N 3.47Å; V13-A16 PolarHBondContact O-N 3.38Å; V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 2.91Å |
| 14 | E | 68.1 | Low | 71.9 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -45.2 | 175.3 | -76.8 | -166.9 | 153.7 | 0 | 0 | 111.8 | L10 A16 A17 A18 | L10-E14 PolarHBondContact O-N 2.87Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 3.37Å; E14-A17 PolarHBondContact O-N 2.9Å; E14-A18 PolarHBondContact O-N 3.16Å |
| 15 | Q | 66.2 | Low | 71.6 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.2 | -39.9 | 175.1 | -80.8 | 166 | 83.5 | 0 | 0 | 112.1 | L11 L12 | L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 WeakPolarHBondContact O-CG 3.37Å; L11-Q15 PolarHBondContact O-N 3.37Å; L11-Q15 VanDerWaalsContact O-N 3.08Å; L11-Q15 PolarHBondContact O-NE2 3.19Å; L12-Q15 PolarHBondContact O-N 2.88Å |
| 16 | A | 61.7 | Low | 71.5 | Confident | 38 Ų | 38 | 102 Ų | 102 | 31% | 0.314 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.7 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 V13 E14 A18 L19 L24 | L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.87Å; V13-A16 PolarHBondContact O-N 3.38Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 3.37Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 2.85Å; A16-L19 CarbonylContact O-C 3.44Å; A16-L19 PolarHBondContact O-N 3.39Å; A16-L19 VanDerWaalsContact O-N 3.16Å; A16-L24 HydrophobicContact CB-CD1 4.46Å |
| 17 | A | 63.1 | Low | 71.5 | Confident | 77 Ų | 77 | 103 Ų | 103 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V13 E14 L19 | V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 2.91Å; E14-A17 PolarHBondContact O-N 2.9Å; A17-L19 VanDerWaalsContact C-N 3.28Å; A17-L19 PolarHBondContact O-N 2.82Å |
| 18 | A | 64 | Low | 71.5 | Confident | 85 Ų | 85 | 101.7 Ų | 101.7 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -26.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E14 A16 | E14-A18 PolarHBondContact O-N 3.16Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 2.85Å |
| 19 | L | 60.3 | Low | 71.8 | Confident | 123 Ų | 123 | 101.1 Ų | 101.1 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -99.7 | 83.1 | 173.6 | -74.4 | 165.9 | 0 | 0 | 0 | 108.3 | A16 A17 E21 | A16-L19 CarbonylContact O-C 3.44Å; A16-L19 PolarHBondContact O-N 3.39Å; A16-L19 VanDerWaalsContact O-N 3.16Å; A17-L19 VanDerWaalsContact C-N 3.28Å; A17-L19 PolarHBondContact O-N 2.82Å; L19-E21 PolarHBondContact O-N 2.7Å |
| 20 | G | 61.2 | Low | 72.5 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 75% | 0.753 | 56% | 0.56 | S | S | * | * | trans | -64.1 | 64.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 21 | E | 68.3 | Low | 73.2 | Confident | 117 Ų | 117 | 98.5 Ų | 98.5 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | trans | -84.3 | 124.6 | 172.7 | -60.1 | -154.5 | 178.7 | 0 | 0 | 110.1 | L19 Q23 L24 | L19-E21 PolarHBondContact O-N 2.7Å; E21-Q23 PolarHBondContact O-N 3.19Å; E21-L24 HydrophobicContact CB-CD1 4.02Å; E21-L24 HydrophobicContact CB-CG 4.14Å; E21-L24 WeakPolarHBondContact O-CB 3.47Å; E21-L24 PolarHBondContact O-N 3.05Å | ||
| 22 | P | 68.6 | Low | 73.8 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -14.1 | -177 | 26.6 | -35.5 | 0 | 0 | 0 | 113.5 | C25 | P22-C25 PolarHBondContact O-SG 3.31Å |
| 23 | Q | 70.8 | Confident | 74.9 | Confident | 143 Ų | 143 | 100.2 Ų | 100.2 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.3 | -26.2 | 176.4 | -60.9 | -176.2 | 3.1 | 0 | 0 | 112.3 | E21 Y26 | E21-Q23 PolarHBondContact O-N 3.19Å; Q23-Y26 WeakPolarHBondContact O-CB 3.47Å; Q23-Y26 PolarHBondContact O-N 2.96Å |
| 24 | L | 71.1 | Confident | 76.1 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 37% | 0.366 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.1 | -36 | -178.2 | -64.7 | 171.4 | 0 | 0 | 0 | 111.8 | A16 E21 Y26 I27 L28 | A16-L24 HydrophobicContact CB-CD1 4.46Å; E21-L24 HydrophobicContact CB-CD1 4.02Å; E21-L24 HydrophobicContact CB-CG 4.14Å; E21-L24 WeakPolarHBondContact O-CB 3.47Å; E21-L24 PolarHBondContact O-N 3.05Å; L24-Y26 PolarHBondContact O-N 3.39Å; L24-I27 PolarHBondContact O-N 3.04Å; L24-L28 PolarHBondContact O-N 3.01Å |
| 25 | C | 77 | Confident | 77.3 | Confident | 84 Ų | 84 | 101.8 Ų | 101.8 | 57% | 0.568 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.1 | -32.1 | 178.2 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | P22 L28 D29 | P22-C25 PolarHBondContact O-SG 3.31Å; C25-L28 PolarHBondContact O-N 3.38Å; C25-D29 VanDerWaalsContact O-CB 3.26Å; C25-D29 WeakPolarHBondContact O-CB 3.26Å; C25-D29 PolarHBondContact O-N 3.48Å |
| 26 | Y | 82.3 | Confident | 78.8 | Confident | 175 Ų | 175 | 97.5 Ų | 97.5 | 69% | 0.686 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | 175.3 | -177.5 | -101.9 | 0 | 0 | 0 | 112.2 | Q23 L24 D29 A30 | Q23-Y26 WeakPolarHBondContact O-CB 3.47Å; Q23-Y26 PolarHBondContact O-N 2.96Å; L24-Y26 PolarHBondContact O-N 3.39Å; Y26-D29 PolarHBondContact O-N 2.88Å; Y26-A30 WeakPolarHBondContact O-CB 3.26Å; Y26-A30 PolarHBondContact O-N 3.23Å |
| 27 | I | 82.9 | Confident | 80.5 | Confident | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -43 | 177.8 | -64 | 159.1 | 0 | 0 | 0 | 110.1 | L24 A30 I31 | L24-I27 PolarHBondContact O-N 3.04Å; I27-A30 PolarHBondContact O-N 2.98Å; I27-I31 HydrophobicContact CG2-CD1 4.06Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 2.94Å |
| 28 | L | 83.6 | Confident | 82 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.8 | -166.4 | 73.5 | 0 | 0 | 0 | 111.1 | L24 C25 A30 I31 L32 | L24-L28 PolarHBondContact O-N 3.01Å; C25-L28 PolarHBondContact O-N 3.38Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.5Å; L28-I31 PolarHBondContact O-N 3.49Å; L28-L32 HydrophobicContact CG-CD1 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.84Å |
| 29 | D | 88.9 | Confident | 83.5 | Confident | 105 Ų | 105 | 99 Ų | 99 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 175.4 | -171.1 | 36.4 | 0 | 0 | 0 | 111.3 | C25 Y26 I31 L32 F33 | C25-D29 VanDerWaalsContact O-CB 3.26Å; C25-D29 WeakPolarHBondContact O-CB 3.26Å; C25-D29 PolarHBondContact O-N 3.48Å; Y26-D29 PolarHBondContact O-N 2.88Å; D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.92Å; D29-L32 PolarHBondContact O-N 2.88Å; D29-F33 VanDerWaalsContact O-CB 3.24Å; D29-F33 WeakPolarHBondContact O-CB 3.39Å; D29-F33 PolarHBondContact O-N 3.4Å |
| 30 | A | 91.4 | Very high | 85.2 | Confident | 47 Ų | 47 | 97.5 Ų | 97.5 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y26 I27 L28 F33 L34 | Y26-A30 WeakPolarHBondContact O-CB 3.26Å; Y26-A30 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 2.98Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.5Å; A30-F33 PolarHBondContact O-N 3.43Å; A30-L34 WeakPolarHBondContact O-CB 3.28Å; A30-L34 PolarHBondContact O-N 3.31Å |
| 31 | I | 89.2 | Confident | 86.8 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.7 | -68 | 166.2 | 0 | 0 | 0 | 110.7 | I27 L28 D29 F33 L34 Y35 | I27-I31 HydrophobicContact CG2-CD1 4.06Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 3.49Å; D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.92Å; I31-F33 VanDerWaalsContact C-N 3.33Å; I31-F33 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.91Å; I31-Y35 VanDerWaalsContact O-CB 3.28Å; I31-Y35 WeakPolarHBondContact O-CB 3.24Å; I31-Y35 PolarHBondContact O-N 2.77Å |
| 32 | L | 87.6 | Confident | 88.1 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.3 | -70.4 | 173.2 | 0 | 0 | 0 | 111.4 | L28 D29 Y35 G36 | L28-L32 HydrophobicContact CG-CD1 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.35Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.84Å; D29-L32 PolarHBondContact O-N 2.88Å; L32-Y35 PolarHBondContact O-N 2.89Å; L32-G36 PolarHBondContact O-N 3.42Å |
| 33 | F | 95.1 | Very high | 89.2 | Confident | 140 Ų | 140 | 100.4 Ų | 100.4 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -48.5 | 175.6 | -178.6 | -107.4 | 0 | 0 | 0 | 111.7 | D29 A30 I31 Y35 G36 I37 | D29-F33 VanDerWaalsContact O-CB 3.24Å; D29-F33 WeakPolarHBondContact O-CB 3.39Å; D29-F33 PolarHBondContact O-N 3.4Å; A30-F33 PolarHBondContact O-N 3.43Å; I31-F33 VanDerWaalsContact C-N 3.33Å; I31-F33 PolarHBondContact O-N 3.44Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.37Å; F33-G36 PolarHBondContact O-N 2.97Å; F33-G36 VanDerWaalsContact O-N 3.17Å; F33-I37 HydrophobicContact CD1-CD1 3.76Å; F33-I37 HydrophobicContact CE1-CD1 3.29Å; F33-I37 HydrophobicContact CE1-CG1 4.28Å; F33-I37 HydrophobicContact CE2-CD1 4.43Å; F33-I37 HydrophobicContact CZ-CD1 3.67Å; F33-I37 HydrophobicContact CZ-CG1 4.33Å; F33-I37 WeakPolarHBondContact O-CG1 3.36Å; F33-I37 PolarHBondContact O-N 3.47Å |
| 34 | L | 96.2 | Very high | 90.2 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -44 | 176.2 | 179.7 | 64.2 | 0 | 0 | 0 | 111.3 | A30 I31 G36 I37 V38 | A30-L34 WeakPolarHBondContact O-CB 3.28Å; A30-L34 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 2.91Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.23Å; L34-I37 PolarHBondContact O-N 3.49Å; L34-V38 WeakPolarHBondContact O-CG2 3.48Å; L34-V38 PolarHBondContact O-N 2.95Å |
| 35 | Y | 94.9 | Very high | 91.1 | Very high | 142 Ų | 142 | 100.9 Ų | 100.9 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 175.1 | 174.9 | -107.9 | 0 | 0 | 0 | 111.7 | I31 L32 F33 I37 V38 L39 | I31-Y35 VanDerWaalsContact O-CB 3.28Å; I31-Y35 WeakPolarHBondContact O-CB 3.24Å; I31-Y35 PolarHBondContact O-N 2.77Å; L32-Y35 PolarHBondContact O-N 2.89Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.37Å; Y35-I37 VanDerWaalsContact C-N 3.34Å; Y35-I37 PolarHBondContact O-N 3.49Å; Y35-V38 PolarHBondContact O-N 3.44Å; Y35-L39 HydrophobicContact CD1-CD1 3.81Å; Y35-L39 HydrophobicContact CE1-CD1 3.24Å; Y35-L39 HydrophobicContact CE1-CG 4.18Å; Y35-L39 HydrophobicContact CE2-CD1 4.02Å; Y35-L39 HydrophobicContact CE2-CD2 4.49Å; Y35-L39 HydrophobicContact CE2-CG 4.1Å; Y35-L39 HydrophobicContact CG-CD1 4.42Å; Y35-L39 WeakPolarHBondContact O-CB 3.47Å; Y35-L39 WeakPolarHBondContact O-CG 3.33Å; Y35-L39 PolarHBondContact O-N 2.9Å |
| 36 | G | 96.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 101.9 Ų | 101.9 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L32 F33 L34 T40 | L32-G36 PolarHBondContact O-N 3.42Å; F33-G36 PolarHBondContact O-N 2.97Å; F33-G36 VanDerWaalsContact O-N 3.17Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.23Å; G36-T40 WeakPolarHBondContact O-CB 3.38Å; G36-T40 PolarHBondContact O-N 3.31Å; G36-T40 PolarHBondContact O-OG1 3.2Å |
| 37 | I | 96.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 97.6 Ų | 97.6 | 35% | 0.354 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 175.7 | -70.9 | 172.3 | 0 | 0 | 0 | 110.6 | F33 L34 Y35 L39 T40 L41 | F33-I37 HydrophobicContact CD1-CD1 3.76Å; F33-I37 HydrophobicContact CE1-CD1 3.29Å; F33-I37 HydrophobicContact CE1-CG1 4.28Å; F33-I37 HydrophobicContact CE2-CD1 4.43Å; F33-I37 HydrophobicContact CZ-CD1 3.67Å; F33-I37 HydrophobicContact CZ-CG1 4.33Å; F33-I37 WeakPolarHBondContact O-CG1 3.36Å; F33-I37 PolarHBondContact O-N 3.47Å; L34-I37 PolarHBondContact O-N 3.49Å; Y35-I37 VanDerWaalsContact C-N 3.34Å; Y35-I37 PolarHBondContact O-N 3.49Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 PolarHBondContact O-N 3.17Å; I37-T40 PolarHBondContact O-N 3.32Å; I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CG 3.43Å; I37-L41 PolarHBondContact O-N 2.89Å |
| 38 | V | 96.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 97.1 Ų | 97.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L34 Y35 T40 L41 L42 | L34-V38 WeakPolarHBondContact O-CG2 3.48Å; L34-V38 PolarHBondContact O-N 2.95Å; Y35-V38 PolarHBondContact O-N 3.44Å; V38-T40 PolarHBondContact O-N 3.45Å; V38-L41 PolarHBondContact O-N 2.92Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.73Å |
| 39 | L | 95.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.414 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.7 | -79.3 | 175.9 | 0 | 0 | 0 | 112.2 | Y35 I37 L41 L42 Y43 | Y35-L39 HydrophobicContact CD1-CD1 3.81Å; Y35-L39 HydrophobicContact CE1-CD1 3.24Å; Y35-L39 HydrophobicContact CE1-CG 4.18Å; Y35-L39 HydrophobicContact CE2-CD1 4.02Å; Y35-L39 HydrophobicContact CE2-CD2 4.49Å; Y35-L39 HydrophobicContact CE2-CG 4.1Å; Y35-L39 HydrophobicContact CG-CD1 4.42Å; Y35-L39 WeakPolarHBondContact O-CB 3.47Å; Y35-L39 WeakPolarHBondContact O-CG 3.33Å; Y35-L39 PolarHBondContact O-N 2.9Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 PolarHBondContact O-N 3.17Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.31Å; L39-L42 PolarHBondContact O-N 2.78Å; L39-Y43 WeakPolarHBondContact O-CB 3.19Å; L39-Y43 PolarHBondContact O-N 3.48Å |
| 40 | T | 95 | Very high | 91.3 | Very high | 92 Ų | 92 | 97.5 Ų | 97.5 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 179 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | G36 I37 V38 Y43 C44 | G36-T40 WeakPolarHBondContact O-CB 3.38Å; G36-T40 PolarHBondContact O-N 3.31Å; G36-T40 PolarHBondContact O-OG1 3.2Å; I37-T40 PolarHBondContact O-N 3.32Å; V38-T40 PolarHBondContact O-N 3.45Å; T40-Y43 PolarHBondContact O-N 2.89Å; T40-C44 WeakPolarHBondContact O-CB 3.39Å; T40-C44 PolarHBondContact O-N 3.18Å |
| 41 | L | 96 | Very high | 90.7 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 175.8 | -70.2 | 177.6 | 0 | 0 | 0 | 111.6 | I37 V38 L39 C44 R45 | I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CG 3.43Å; I37-L41 PolarHBondContact O-N 2.89Å; V38-L41 PolarHBondContact O-N 2.92Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L41 PolarHBondContact O-N 3.31Å; L41-C44 PolarHBondContact O-N 2.85Å; L41-R45 WeakPolarHBondContact O-CG 3.33Å; L41-R45 PolarHBondContact O-N 3.5Å |
| 42 | L | 94.1 | Very high | 90 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 178.6 | -175.6 | 60.2 | 0 | 0 | 0 | 111.5 | V38 L39 R45 L46 | V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.73Å; L39-L42 PolarHBondContact O-N 2.78Å; L42-R45 PolarHBondContact O-N 2.91Å; L42-L46 WeakPolarHBondContact O-CB 3.33Å; L42-L46 PolarHBondContact O-N 3.33Å |
| 43 | Y | 93.2 | Very high | 89.4 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 174.9 | 177.6 | -106.3 | 0 | 0 | 0 | 111.4 | L39 T40 R45 L46 K47 | L39-Y43 WeakPolarHBondContact O-CB 3.19Å; L39-Y43 PolarHBondContact O-N 3.48Å; T40-Y43 PolarHBondContact O-N 2.89Å; Y43-R45 PolarHBondContact O-N 3.42Å; Y43-L46 PolarHBondContact O-N 3.22Å; Y43-K47 HydrophobicContact CE1-CD 3.91Å; Y43-K47 WeakPolarHBondContact O-CB 3.16Å; Y43-K47 PolarHBondContact O-N 2.87Å |
| 44 | C | 91.6 | Very high | 88.4 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 176.2 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | T40 L41 K47 I48 | T40-C44 WeakPolarHBondContact O-CB 3.39Å; T40-C44 PolarHBondContact O-N 3.18Å; L41-C44 PolarHBondContact O-N 2.85Å; C44-K47 PolarHBondContact O-N 3.44Å; C44-I48 WeakPolarHBondContact O-CB 3.22Å; C44-I48 WeakPolarHBondContact O-CD1 3.45Å; C44-I48 WeakPolarHBondContact O-CG1 3.28Å; C44-I48 PolarHBondContact O-N 2.84Å; C44-I48 VanDerWaalsContact SG-CD1 3.52Å |
| 45 | R | 90.1 | Very high | 87.3 | Confident | 164 Ų | 164 | 98.2 Ų | 98.2 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -49.7 | 176.8 | -73.8 | -178.7 | 70.2 | -167.9 | 1.7 | 111.9 | L41 L42 Y43 I48 Q49 | L41-R45 WeakPolarHBondContact O-CG 3.33Å; L41-R45 PolarHBondContact O-N 3.5Å; L42-R45 PolarHBondContact O-N 2.91Å; Y43-R45 PolarHBondContact O-N 3.42Å; R45-I48 PolarHBondContact O-N 2.93Å; R45-Q49 WeakPolarHBondContact O-CB 3.17Å; R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.33Å; R45-Q49 PolarHBondContact O-N 2.88Å |
| 46 | L | 88.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | -179.5 | -173.7 | 63.2 | 0 | 0 | 0 | 111.1 | L42 Y43 I48 Q49 V50 | L42-L46 WeakPolarHBondContact O-CB 3.33Å; L42-L46 PolarHBondContact O-N 3.33Å; Y43-L46 PolarHBondContact O-N 3.22Å; L46-I48 PolarHBondContact O-N 3.47Å; L46-Q49 PolarHBondContact O-N 3.39Å; L46-V50 WeakPolarHBondContact O-CG2 3.31Å; L46-V50 PolarHBondContact O-N 3.48Å |
| 47 | K | 86.9 | Confident | 84.6 | Confident | 85 Ų | 85 | 96.4 Ų | 96.4 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.7 | -173.7 | 176.8 | -178.1 | 178.6 | 0 | 112.2 | Y43 C44 R51 | Y43-K47 HydrophobicContact CE1-CD 3.91Å; Y43-K47 WeakPolarHBondContact O-CB 3.16Å; Y43-K47 PolarHBondContact O-N 2.87Å; C44-K47 PolarHBondContact O-N 3.44Å; K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 VanDerWaalsContact O-CG 3.32Å; K47-R51 WeakPolarHBondContact O-CG 3.47Å; K47-R51 PolarHBondContact O-N 3.29Å |
| 48 | I | 81.6 | Confident | 82.9 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 174.9 | -69.4 | 166.9 | 0 | 0 | 0 | 110.4 | C44 R45 L46 R51 K52 | C44-I48 WeakPolarHBondContact O-CB 3.22Å; C44-I48 WeakPolarHBondContact O-CD1 3.45Å; C44-I48 WeakPolarHBondContact O-CG1 3.28Å; C44-I48 PolarHBondContact O-N 2.84Å; C44-I48 VanDerWaalsContact SG-CD1 3.52Å; R45-I48 PolarHBondContact O-N 2.93Å; L46-I48 PolarHBondContact O-N 3.47Å; I48-R51 PolarHBondContact O-N 2.85Å; I48-K52 HydrophobicContact CG2-CD 4.16Å; I48-K52 HydrophobicContact CG2-CG 4.35Å; I48-K52 VanDerWaalsContact O-CB 3.31Å; I48-K52 WeakPolarHBondContact O-CB 3.45Å; I48-K52 WeakPolarHBondContact O-CG 3.38Å; I48-K52 PolarHBondContact O-N 2.86Å |
| 49 | Q | 80.9 | Confident | 81.3 | Confident | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 176.3 | -75.9 | 175.4 | -4.5 | 0 | 0 | 112 | R45 L46 K52 A53 | R45-Q49 WeakPolarHBondContact O-CB 3.17Å; R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.33Å; R45-Q49 PolarHBondContact O-N 2.88Å; L46-Q49 PolarHBondContact O-N 3.39Å; Q49-K52 PolarHBondContact O-N 3.47Å; Q49-A53 WeakPolarHBondContact O-CB 3.41Å; Q49-A53 PolarHBondContact O-N 3.38Å |
| 50 | V | 80.1 | Confident | 79.5 | Confident | 91 Ų | 91 | 107 Ų | 107 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | L46 A53 A54 | L46-V50 WeakPolarHBondContact O-CG2 3.31Å; L46-V50 PolarHBondContact O-N 3.48Å; V50-A53 PolarHBondContact O-N 3.28Å; V50-A54 WeakPolarHBondContact O-CB 3.35Å; V50-A54 PolarHBondContact O-N 3.42Å |
| 51 | R | 78.7 | Confident | 77.7 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 174.9 | -76.2 | -179.4 | 175.3 | -165 | -4.2 | 112.1 | K47 I48 A53 A54 I55 | K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 VanDerWaalsContact O-CG 3.32Å; K47-R51 WeakPolarHBondContact O-CG 3.47Å; K47-R51 PolarHBondContact O-N 3.29Å; I48-R51 PolarHBondContact O-N 2.85Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-A54 PolarHBondContact O-N 2.92Å; R51-I55 WeakPolarHBondContact O-CB 3.19Å; R51-I55 VanDerWaalsContact O-CG1 3.23Å; R51-I55 WeakPolarHBondContact O-CG1 3.23Å; R51-I55 PolarHBondContact O-N 2.89Å |
| 52 | K | 75.2 | Confident | 75.7 | Confident | 144 Ų | 144 | 102.2 Ų | 102.2 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 174.6 | -82.7 | -175.9 | 157.5 | -173.8 | 0 | 111.7 | I48 Q49 A56 | I48-K52 HydrophobicContact CG2-CD 4.16Å; I48-K52 HydrophobicContact CG2-CG 4.35Å; I48-K52 VanDerWaalsContact O-CB 3.31Å; I48-K52 WeakPolarHBondContact O-CB 3.45Å; I48-K52 WeakPolarHBondContact O-CG 3.38Å; I48-K52 PolarHBondContact O-N 2.86Å; Q49-K52 PolarHBondContact O-N 3.47Å; K52-A56 WeakPolarHBondContact O-CB 3.45Å; K52-A56 PolarHBondContact O-N 3.28Å |
| 53 | A | 74.8 | Confident | 73.9 | Confident | 61 Ų | 61 | 99.8 Ų | 99.8 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q49 V50 R51 A56 S57 | Q49-A53 WeakPolarHBondContact O-CB 3.41Å; Q49-A53 PolarHBondContact O-N 3.38Å; V50-A53 PolarHBondContact O-N 3.28Å; R51-A53 VanDerWaalsContact C-N 3.34Å; A53-A56 PolarHBondContact O-N 2.86Å; A53-S57 WeakPolarHBondContact O-CB 3.32Å; A53-S57 PolarHBondContact O-N 3.3Å; A53-S57 PolarHBondContact O-OG 2.81Å |
| 54 | A | 74.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V50 R51 S57 Y58 | V50-A54 WeakPolarHBondContact O-CB 3.35Å; V50-A54 PolarHBondContact O-N 3.42Å; R51-A54 PolarHBondContact O-N 2.92Å; A54-S57 WeakPolarHBondContact CA-OG 3.43Å; A54-S57 PolarHBondContact O-N 3.16Å; A54-S57 PolarHBondContact O-OG 2.74Å; A54-Y58 WeakPolarHBondContact O-CB 3.21Å; A54-Y58 PolarHBondContact O-N 2.82Å |
| 55 | I | 72.9 | Confident | 70.5 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.3 | -66.4 | 164.2 | 0 | 0 | 0 | 110.2 | R51 S57 Y58 E59 | R51-I55 WeakPolarHBondContact O-CB 3.19Å; R51-I55 VanDerWaalsContact O-CG1 3.23Å; R51-I55 WeakPolarHBondContact O-CG1 3.23Å; R51-I55 PolarHBondContact O-N 2.89Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 2.86Å; I55-Y58 CarbonylContact O-C 3.59Å; I55-Y58 PolarHBondContact O-N 2.68Å; I55-Y58 VanDerWaalsContact O-N 3.16Å; I55-E59 WeakPolarHBondContact O-CB 3.33Å; I55-E59 PolarHBondContact O-N 3.41Å |
| 56 | A | 68.8 | Low | 68.8 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K52 A53 K60 | K52-A56 WeakPolarHBondContact O-CB 3.45Å; K52-A56 PolarHBondContact O-N 3.28Å; A53-A56 PolarHBondContact O-N 2.86Å; A56-K60 WeakPolarHBondContact O-CB 3.45Å; A56-K60 PolarHBondContact O-N 2.95Å |
| 57 | S | 64.6 | Low | 67.2 | Low | 75 Ų | 75 | 97.5 Ų | 97.5 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 173.8 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | A53 A54 I55 K60 S61 | A53-S57 WeakPolarHBondContact O-CB 3.32Å; A53-S57 PolarHBondContact O-N 3.3Å; A53-S57 PolarHBondContact O-OG 2.81Å; A54-S57 WeakPolarHBondContact CA-OG 3.43Å; A54-S57 PolarHBondContact O-N 3.16Å; A54-S57 PolarHBondContact O-OG 2.74Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 2.86Å; S57-K60 PolarHBondContact O-N 3.36Å; S57-S61 PolarHBondContact O-N 3.22Å; S57-S61 PolarHBondContact O-OG 2.84Å |
| 58 | Y | 62.7 | Low | 65.6 | Low | 148 Ų | 148 | 101.1 Ų | 101.1 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.4 | -42.7 | 177.1 | -174.7 | -94.9 | 0 | 0 | 0 | 111.2 | A54 I55 K60 S61 D62 | A54-Y58 WeakPolarHBondContact O-CB 3.21Å; A54-Y58 PolarHBondContact O-N 2.82Å; I55-Y58 CarbonylContact O-C 3.59Å; I55-Y58 PolarHBondContact O-N 2.68Å; I55-Y58 VanDerWaalsContact O-N 3.16Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 3.32Å; Y58-S61 WeakPolarHBondContact CA-OG 2.85Å; Y58-S61 PolarHBondContact O-N 2.74Å; Y58-S61 PolarHBondContact O-OG 3.16Å; Y58-D62 WeakPolarHBondContact CE1-OD2 3.38Å; Y58-D62 VanDerWaalsContact O-CB 3.23Å; Y58-D62 WeakPolarHBondContact O-CB 3.44Å; Y58-D62 PolarHBondContact O-N 3.14Å; Y58-D62 PolarHBondContact OH-OD2 3.28Å |
| 59 | E | 61.6 | Low | 64.1 | Low | 143 Ų | 143 | 101.1 Ų | 101.1 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -32.1 | 173.7 | -171.9 | 177.6 | 116.1 | 0 | 0 | 111.6 | I55 G63 | I55-E59 WeakPolarHBondContact O-CB 3.33Å; I55-E59 PolarHBondContact O-N 3.41Å; E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 3.46Å |
| 60 | K | 58.6 | Low | 62.9 | Low | 162 Ų | 162 | 101 Ų | 101 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.9 | -37.3 | 173 | -172.5 | 173.2 | -178.1 | -176.6 | 0 | 112.3 | A56 S57 Y58 G63 V64 | A56-K60 WeakPolarHBondContact O-CB 3.45Å; A56-K60 PolarHBondContact O-N 2.95Å; S57-K60 PolarHBondContact O-N 3.36Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 3.32Å; K60-G63 PolarHBondContact O-N 3.44Å; K60-V64 WeakPolarHBondContact O-CG2 3.29Å; K60-V64 PolarHBondContact O-N 2.71Å |
| 61 | S | 56.6 | Low | 61.6 | Low | 57 Ų | 57 | 107.4 Ų | 107.4 | 40% | 0.399 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -43.1 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 111.4 | S57 Y58 G63 V64 Y65 | S57-S61 PolarHBondContact O-N 3.22Å; S57-S61 PolarHBondContact O-OG 2.84Å; Y58-S61 WeakPolarHBondContact CA-OG 2.85Å; Y58-S61 PolarHBondContact O-N 2.74Å; Y58-S61 PolarHBondContact O-OG 3.16Å; S61-G63 VanDerWaalsContact C-N 3.32Å; S61-V64 PolarHBondContact O-N 3.21Å; S61-Y65 PolarHBondContact O-N 2.88Å; S61-Y65 VanDerWaalsContact O-N 3.16Å |
| 62 | D | 54.6 | Low | 60.4 | Low | 44 Ų | 44 | 106 Ų | 106 | 24% | 0.235 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 171.7 | -83.1 | 6.6 | 0 | 0 | 0 | 108.9 | Y58 V64 Y65 T66 | Y58-D62 WeakPolarHBondContact CE1-OD2 3.38Å; Y58-D62 VanDerWaalsContact O-CB 3.23Å; Y58-D62 WeakPolarHBondContact O-CB 3.44Å; Y58-D62 PolarHBondContact O-N 3.14Å; Y58-D62 PolarHBondContact OH-OD2 3.28Å; D62-V64 PolarHBondContact O-N 2.55Å; D62-V64 VanDerWaalsContact O-N 3.09Å; D62-Y65 CarbonylContact O-C 3.35Å; D62-Y65 PolarHBondContact O-N 3.2Å; D62-T66 HydrophobicContact CB-CG2 4.18Å; D62-T66 VanDerWaalsContact O-CA 3.23Å; D62-T66 WeakPolarHBondContact O-CA 3.23Å; D62-T66 WeakPolarHBondContact O-CB 3.14Å; D62-T66 VanDerWaalsContact O-CG2 3.29Å; D62-T66 WeakPolarHBondContact O-CG2 3.1Å; D62-T66 PolarHBondContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 2.98Å |
| 63 | G | 56.6 | Low | 59.3 | Low | 51 Ų | 51 | 108 Ų | 108 | 53% | 0.526 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -54.4 | -31 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E59 K60 S61 T66 | E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 3.46Å; K60-G63 PolarHBondContact O-N 3.44Å; S61-G63 VanDerWaalsContact C-N 3.32Å; G63-T66 WeakPolarHBondContact CA-OG1 3.23Å; G63-T66 PolarHBondContact O-OG1 3.11Å |
| 64 | V | 58.9 | Low | 58.5 | Low | 113 Ų | 113 | 112.8 Ų | 112.8 | 69% | 0.685 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84.2 | -29.2 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | K60 S61 D62 | K60-V64 WeakPolarHBondContact O-CG2 3.29Å; K60-V64 PolarHBondContact O-N 2.71Å; S61-V64 PolarHBondContact O-N 3.21Å; D62-V64 PolarHBondContact O-N 2.55Å; D62-V64 VanDerWaalsContact O-N 3.09Å |
| 65 | Y | 54 | Low | 57.6 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -109.6 | 2.3 | 179.9 | -75.9 | -83.3 | 0 | 0 | 0 | 115 | S61 D62 G67 L68 | S61-Y65 PolarHBondContact O-N 2.88Å; S61-Y65 VanDerWaalsContact O-N 3.16Å; D62-Y65 CarbonylContact O-C 3.35Å; D62-Y65 PolarHBondContact O-N 3.2Å; Y65-G67 PolarHBondContact O-N 3.14Å; Y65-G67 VanDerWaalsContact O-N 3.11Å; Y65-L68 PolarHBondContact O-N 2.88Å |
| 66 | T | 54.8 | Low | 56.8 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 41% | 0.405 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.7 | -11.2 | -178.5 | 18.8 | 0 | 0 | 0 | 0 | 111.1 | D62 G63 L68 | D62-T66 HydrophobicContact CB-CG2 4.18Å; D62-T66 VanDerWaalsContact O-CA 3.23Å; D62-T66 WeakPolarHBondContact O-CA 3.23Å; D62-T66 WeakPolarHBondContact O-CB 3.14Å; D62-T66 VanDerWaalsContact O-CG2 3.29Å; D62-T66 WeakPolarHBondContact O-CG2 3.1Å; D62-T66 PolarHBondContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 2.98Å; G63-T66 WeakPolarHBondContact CA-OG1 3.23Å; G63-T66 PolarHBondContact O-OG1 3.11Å; T66-L68 PolarHBondContact O-N 2.55Å; T66-L68 VanDerWaalsContact O-N 3.14Å |
| 67 | G | 52.7 | Low | 56.5 | Low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -56.4 | -16 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y65 | Y65-G67 PolarHBondContact O-N 3.14Å; Y65-G67 VanDerWaalsContact O-N 3.11Å |
| 68 | L | 54.4 | Low | 56.5 | Low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -132.8 | -19.7 | 179.7 | -133.7 | 76.1 | 0 | 0 | 0 | 117.3 | Y65 T66 | Y65-L68 PolarHBondContact O-N 2.88Å; T66-L68 PolarHBondContact O-N 2.55Å; T66-L68 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 50.3 | Low | 56.6 | Low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -104.1 | -5.9 | -163.1 | -66.3 | 0 | 0 | 0 | 0 | 118.1 | ||
| 70 | T | 55.4 | Low | 56.7 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -105.6 | -10.5 | -172.4 | -46.4 | 0 | 0 | 0 | 0 | 115.2 | N72 | T70-N72 PolarHBondContact O-N 3.27Š|
| 71 | R | 53 | Low | 57 | Low | 225 Ų | 225 | 133.2 Ų | 133.2 | 85% | 0.849 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -97.6 | 76.2 | -177.9 | -173.7 | 149.9 | 137.3 | 89.2 | -0.9 | 110.8 | ||
| 72 | N | 52.8 | Low | 57.5 | Low | 122 Ų | 122 | 139.1 Ų | 139.1 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | trans | 56.3 | 99.4 | -179.4 | -68.2 | -80.3 | 0 | 0 | 0 | 110.8 | T70 E74 | T70-N72 PolarHBondContact O-N 3.27Å; N72-E74 HydrophobicContact CB-CG 4Å; N72-E74 WeakPolarHBondContact O-CG 3.47Å; N72-E74 PolarHBondContact O-N 2.73Å | ||
| 73 | Q | 52.3 | Low | 57.8 | Low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | 0.9 | 56.7 | 95.8 | -144.4 | 172.6 | 19.9 | 0 | 0 | 114.2 | T75 | Q73-T75 VanDerWaalsContact C-N 3.3Å; Q73-T75 PolarHBondContact O-N 2.89Å | |||
| 74 | E | 57.7 | Low | 57.5 | Low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -61.6 | 101.2 | 167.2 | -65.2 | -163.4 | 175 | 0 | 0 | 105.2 | N72 Y76 | N72-E74 HydrophobicContact CB-CG 4Å; N72-E74 WeakPolarHBondContact O-CG 3.47Å; N72-E74 PolarHBondContact O-N 2.73Å; E74-Y76 PolarHBondContact O-N 2.94Å | ||
| 75 | T | 55.9 | Low | 57.6 | Low | 130 Ų | 130 | 149.9 Ų | 149.9 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -47.6 | 109.9 | 171.8 | -59 | 0 | 0 | 0 | 0 | 106.7 | Q73 E77 | Q73-T75 VanDerWaalsContact C-N 3.3Å; Q73-T75 PolarHBondContact O-N 2.89Å; T75-E77 PolarHBondContact O-N 3.13Å; T75-E77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | Y | 57.2 | Low | 57.3 | Low | 222 Ų | 222 | 154.6 Ų | 154.6 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -40.1 | 118.3 | -174 | -74.8 | -94.4 | 0 | 0 | 0 | 111.5 | E74 T78 | E74-Y76 PolarHBondContact O-N 2.94Å; Y76-T78 PolarHBondContact O-N 3.07Å | ||
| 77 | E | 61.6 | Low | 57.4 | Low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -70.4 | 117.4 | 164.4 | -79.8 | -163.3 | 166.6 | 0 | 0 | 108.2 | T75 L79 | T75-E77 PolarHBondContact O-N 3.13Å; T75-E77 VanDerWaalsContact O-N 3.13Å; E77-L79 PolarHBondContact O-N 3.27Å | ||
| 78 | T | 65.7 | Low | 57.6 | Low | 130 Ų | 130 | 163.4 Ų | 163.4 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -55.2 | 113.3 | 172.9 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | Y76 K80 | Y76-T78 PolarHBondContact O-N 3.07Å; T78-K80 PolarHBondContact O-N 3.08Å | ||
| 79 | L | 63.1 | Low | 57.8 | Low | 141 Ų | 141 | 163.5 Ų | 163.5 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -52.8 | 105.7 | 174.4 | -72.8 | 168.9 | 0 | 0 | 0 | 109.8 | E77 H81 | E77-L79 PolarHBondContact O-N 3.27Å; L79-H81 PolarHBondContact O-N 2.94Å; L79-H81 VanDerWaalsContact O-N 3.08Å | ||
| 80 | K | 63.7 | Low | 58.3 | Low | 189 Ų | 189 | 168 Ų | 168 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 102.6 | 169.3 | -67.2 | -170.2 | -178.9 | -174.7 | 0 | 107.6 | T78 E82 | T78-K80 PolarHBondContact O-N 3.08Å; K80-E82 PolarHBondContact O-N 3.05Å | ||
| 81 | H | 65.4 | Low | 58.4 | Low | 171 Ų | 171 | 171.8 Ų | 171.8 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -70.1 | 96.1 | 167.9 | -70.2 | -81.6 | 0 | 0 | 0 | 108.5 | L79 K83 | L79-H81 PolarHBondContact O-N 2.94Å; L79-H81 VanDerWaalsContact O-N 3.08Å; H81-K83 PolarHBondContact O-N 3.24Å | ||
| 82 | E | 66.5 | Low | 58.8 | Low | 181 Ų | 181 | 168.2 Ų | 168.2 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -74.8 | 108 | 164.1 | -64.5 | -142.5 | 156.6 | 0 | 0 | 108.4 | K80 | K80-E82 PolarHBondContact O-N 3.05Š| ||
| 83 | K | 61 | Low | 59.2 | Low | 195 Ų | 195 | 171.5 Ų | 171.5 | 85% | 0.848 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.9 | 176.4 | -175.2 | 178.6 | -171.1 | 170 | 0 | 108.8 | H81 | H81-K83 PolarHBondContact O-N 3.24Š|
| 84 | P | 51.9 | Low | 59.8 | Low | 109 Ų | 109 | 170.3 Ų | 170.3 | 71% | 0.708 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.7 | -176.1 | 21.8 | -31.6 | 0 | 0 | 0 | 112.3 | Q86 | P84-Q86 PolarHBondContact O-N 3.5Š|
| 85 | P | 60.5 | Low | 59.9 | Low | 131 Ų | 131 | 171.1 Ų | 171.1 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131.5 | -175.9 | 26.2 | -33.1 | 0 | 0 | 0 | 111 | ||
| 86 | Q | 46.6 | Very low | 60.3 | Low | 269 Ų | 269 | 174.8 Ų | 174.8 | 100% | 1.257 | 85% | 0.854 | S | S | * | * | trans | -95.9 | 0 | 161.2 | -106.1 | -175.6 | -2.9 | 0 | 0 | 109.2 | P84 | P84-Q86 PolarHBondContact O-N 3.5Š|
Retrieved 86 of 86 residues in 21.7 ms
(Link to these results)