| 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 | 41.3 | Very low | 53.1 | Low | 222 Ų | 222 | 121.6 Ų | 121.6 | 100% | 1.094 | 62% | 0.615 | S | S | * | * | 0 | 9 | 0 | -70.1 | 178.8 | 173.1 | 0 | 0 | 114.4 | |||||
| 2 | G | 48.6 | Very low | 54 | Low | 47 Ų | 47 | 115.9 Ų | 115.9 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -79.2 | -16.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | L4 Q5 S6 | G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.94Å; G2-Q5 PolarHBondContact O-N 3.5Å; G2-S6 PolarHBondContact O-N 3.4Å |
| 3 | L | 50.6 | Low | 54.3 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.6 | -25.1 | -179.1 | -124.3 | 79.8 | 0 | 0 | 0 | 113.5 | S6 | L3-S6 PolarHBondContact O-OG 2.97Å |
| 4 | L | 51.8 | Low | 55.1 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.7 | -38.2 | 176.8 | -66.7 | 172.9 | 0 | 0 | 0 | 110.6 | G2 K7 Q8 | G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.94Å; L4-K7 PolarHBondContact O-N 2.88Å; L4-Q8 VanDerWaalsContact O-CG 3.28Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 2.87Å |
| 5 | Q | 52.9 | Low | 55.9 | Low | 130 Ų | 130 | 110.8 Ų | 110.8 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -41.2 | 178.1 | -73.6 | 177 | -24.1 | 0 | 0 | 112.3 | G2 K7 Q8 L9 | G2-Q5 PolarHBondContact O-N 3.5Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.74Å; Q5-Q8 PolarHBondContact O-N 2.78Å; Q5-Q8 VanDerWaalsContact O-N 3.11Å; Q5-L9 WeakPolarHBondContact O-CB 3.05Å; Q5-L9 PolarHBondContact O-N 2.87Å |
| 6 | S | 55.6 | Low | 56.4 | Low | 53 Ų | 53 | 107 Ų | 107 | 37% | 0.371 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -35.1 | 177.9 | 68.8 | 0 | 0 | 0 | 0 | 113 | G2 L3 K10 | G2-S6 PolarHBondContact O-N 3.4Å; L3-S6 PolarHBondContact O-OG 2.97Å; S6-K10 WeakPolarHBondContact O-CG 3.08Å; S6-K10 PolarHBondContact O-N 2.83Å |
| 7 | K | 56.4 | Low | 57.3 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.9 | -40.2 | 172.4 | -70.8 | -174.9 | -179.8 | -171.6 | 0 | 111.8 | L4 Q5 L9 K11 | L4-K7 PolarHBondContact O-N 2.88Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.74Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-K11 WeakPolarHBondContact O-CB 3.17Å; K7-K11 WeakPolarHBondContact O-CG 3.39Å; K7-K11 PolarHBondContact O-N 2.7Å |
| 8 | Q | 58.1 | Low | 58.2 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 175.7 | -66 | -67.3 | -6.3 | 0 | 0 | 111.6 | L4 Q5 K11 S12 | L4-Q8 VanDerWaalsContact O-CG 3.28Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 2.87Å; Q5-Q8 PolarHBondContact O-N 2.78Å; Q5-Q8 VanDerWaalsContact O-N 3.11Å; Q8-K11 PolarHBondContact O-N 2.84Å; Q8-S12 WeakPolarHBondContact O-CB 3.3Å; Q8-S12 PolarHBondContact O-N 3.13Å |
| 9 | L | 53 | Low | 58.8 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 176.1 | -86 | 151.5 | 0 | 0 | 0 | 113.1 | Q5 K7 K11 S12 Y13 E126 | Q5-L9 WeakPolarHBondContact O-CB 3.05Å; Q5-L9 PolarHBondContact O-N 2.87Å; K7-L9 VanDerWaalsContact C-N 3.35Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.41Å; L9-S12 CarbonylContact O-C 3.6Å; L9-S12 WeakPolarHBondContact O-CB 3.19Å; L9-S12 PolarHBondContact O-N 2.79Å; L9-Y13 WeakPolarHBondContact O-CB 3.24Å; L9-Y13 PolarHBondContact O-N 3.26Å; L9-E126 WeakPolarHBondContact CD1-OE2 3.36Å |
| 10 | K | 56.6 | Low | 59.2 | Low | 156 Ų | 156 | 105.8 Ų | 105.8 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 173.1 | -75.7 | 173.8 | -177.7 | -76.7 | 0 | 111.7 | S6 Y13 S14 | S6-K10 WeakPolarHBondContact O-CG 3.08Å; S6-K10 PolarHBondContact O-N 2.83Å; K10-Y13 WeakPolarHBondContact O-CB 3.3Å; K10-Y13 PolarHBondContact O-N 3.33Å; K10-S14 PolarHBondContact O-N 2.78Å; K10-S14 PolarHBondContact O-OG 2.94Å |
| 11 | K | 59.6 | Low | 59.8 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 172.9 | -72.3 | 172.4 | -178.9 | -171.9 | 0 | 111.9 | K7 Q8 L9 S14 A15 | K7-K11 WeakPolarHBondContact O-CB 3.17Å; K7-K11 WeakPolarHBondContact O-CG 3.39Å; K7-K11 PolarHBondContact O-N 2.7Å; Q8-K11 PolarHBondContact O-N 2.84Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.41Å; K11-S14 WeakPolarHBondContact CA-OG 3.41Å; K11-S14 PolarHBondContact O-OG 2.89Å; K11-A15 WeakPolarHBondContact O-CB 3.19Å; K11-A15 PolarHBondContact O-N 3.39Å |
| 12 | S | 63.4 | Low | 61.3 | Low | 53 Ų | 53 | 97.1 Ų | 97.1 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Q8 L9 A15 V16 | Q8-S12 WeakPolarHBondContact O-CB 3.3Å; Q8-S12 PolarHBondContact O-N 3.13Å; L9-S12 CarbonylContact O-C 3.6Å; L9-S12 WeakPolarHBondContact O-CB 3.19Å; L9-S12 PolarHBondContact O-N 2.79Å; S12-A15 PolarHBondContact O-N 2.6Å; S12-V16 WeakPolarHBondContact O-CB 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.77Å |
| 13 | Y | 58.3 | Low | 62.3 | Low | 160 Ų | 160 | 96.3 Ų | 96.3 | 63% | 0.627 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176.3 | -178.5 | -100.8 | 0 | 0 | 0 | 112.3 | L9 K10 V16 L17 | L9-Y13 WeakPolarHBondContact O-CB 3.24Å; L9-Y13 PolarHBondContact O-N 3.26Å; K10-Y13 WeakPolarHBondContact O-CB 3.3Å; K10-Y13 PolarHBondContact O-N 3.33Å; Y13-V16 PolarHBondContact O-N 3.47Å; Y13-L17 HydrophobicContact CD1-CD1 3.74Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 4.41Å; Y13-L17 HydrophobicContact CG-CD1 4.49Å; Y13-L17 WeakPolarHBondContact O-CG 3.39Å; Y13-L17 PolarHBondContact O-N 2.82Å |
| 14 | S | 64.7 | Low | 63.4 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 43% | 0.427 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.8 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | K10 K11 V16 L17 E18 | K10-S14 PolarHBondContact O-N 2.78Å; K10-S14 PolarHBondContact O-OG 2.94Å; K11-S14 WeakPolarHBondContact CA-OG 3.41Å; K11-S14 PolarHBondContact O-OG 2.89Å; S14-V16 VanDerWaalsContact C-N 3.32Å; S14-V16 PolarHBondContact O-N 2.74Å; S14-L17 PolarHBondContact O-N 3.24Å; S14-E18 WeakPolarHBondContact O-CB 3.41Å; S14-E18 PolarHBondContact O-N 3.33Å |
| 15 | A | 68 | Low | 64.4 | Low | 50 Ų | 50 | 90.9 Ų | 90.9 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K11 S12 K19 | K11-A15 WeakPolarHBondContact O-CB 3.19Å; K11-A15 PolarHBondContact O-N 3.39Å; S12-A15 PolarHBondContact O-N 2.6Å; A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 PolarHBondContact O-N 2.85Å |
| 16 | V | 64 | Low | 65.4 | Low | 50 Ų | 50 | 89.4 Ų | 89.4 | 30% | 0.303 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 173.9 | 170 | 0 | 0 | 0 | 0 | 110.6 | S12 Y13 S14 L20 L119 | S12-V16 WeakPolarHBondContact O-CB 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.77Å; Y13-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact C-N 3.32Å; S14-V16 PolarHBondContact O-N 2.74Å; V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 2.88Å; V16-L119 HydrophobicContact CG1-CD2 4.36Å |
| 17 | L | 70.9 | Confident | 65.9 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 45% | 0.45 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 173.5 | -78.4 | 163.7 | 0 | 0 | 0 | 112.1 | Y13 S14 K19 L20 E21 | Y13-L17 HydrophobicContact CD1-CD1 3.74Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 4.41Å; Y13-L17 HydrophobicContact CG-CD1 4.49Å; Y13-L17 WeakPolarHBondContact O-CG 3.39Å; Y13-L17 PolarHBondContact O-N 2.82Å; S14-L17 PolarHBondContact O-N 3.24Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; L17-L20 WeakPolarHBondContact O-CB 3.34Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.13Å; L17-E21 PolarHBondContact O-N 3.46Å |
| 18 | E | 73.2 | Confident | 66.4 | Low | 126 Ų | 126 | 86.5 Ų | 86.5 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 175.9 | -174.2 | 174.8 | -167.9 | 0 | 0 | 110.8 | S14 L20 E21 D22 | S14-E18 WeakPolarHBondContact O-CB 3.41Å; S14-E18 PolarHBondContact O-N 3.33Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.44Å; E18-E21 PolarHBondContact O-N 3.42Å; E18-D22 WeakPolarHBondContact O-CB 3.39Å; E18-D22 PolarHBondContact O-N 3.48Å |
| 19 | K | 71 | Confident | 66.8 | Low | 107 Ų | 107 | 87.6 Ų | 87.6 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -31.6 | 174.8 | -170.5 | 173.8 | -177.5 | 176.6 | 0 | 113.2 | A15 L17 E23 | A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 PolarHBondContact O-N 2.85Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 2.77Å |
| 20 | L | 65.3 | Low | 67.2 | Low | 84 Ų | 84 | 85.8 Ų | 85.8 | 44% | 0.44 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 173.2 | -118.8 | 70.7 | 0 | 0 | 0 | 110.7 | V16 L17 E18 E23 I24 | V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 2.88Å; L17-L20 WeakPolarHBondContact O-CB 3.34Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.13Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.44Å; L20-E23 PolarHBondContact O-N 3.34Å; L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.4Å; L20-I24 PolarHBondContact O-N 2.74Å |
| 21 | E | 72.6 | Confident | 67.5 | Low | 56 Ų | 56 | 81.6 Ų | 81.6 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 175.7 | -163.5 | 57 | -139.8 | 0 | 0 | 110.8 | L17 E18 E23 I24 E25 W208 | L17-E21 PolarHBondContact O-N 3.46Å; E18-E21 PolarHBondContact O-N 3.42Å; E21-E23 PolarHBondContact O-N 2.78Å; E21-I24 PolarHBondContact O-N 3.5Å; E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 2.88Å; E21-W208 HydrophobicContact CG-CZ2 4.22Å; E21-W208 VanDerWaalsContact OE1-CE2 3.27Å; E21-W208 WeakPolarHBondContact OE1-CZ2 3.28Å; E21-W208 PolarHBondContact OE1-NE1 3.34Å; E21-W208 WeakPolarHBondContact OE2-CZ2 3.18Å |
| 22 | D | 73.4 | Confident | 67.7 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.9 | -80.6 | -16.1 | 0 | 0 | 0 | 112.1 | E18 E25 E26 | E18-D22 WeakPolarHBondContact O-CB 3.39Å; E18-D22 PolarHBondContact O-N 3.48Å; D22-E25 PolarHBondContact O-N 2.96Å; D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.76Å |
| 23 | E | 69.6 | Low | 67.4 | Low | 30 Ų | 30 | 81.3 Ų | 81.3 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.6 | -29.6 | 177.2 | -80.5 | -172.5 | -178.6 | 0 | 0 | 112.1 | K19 L20 E21 E26 L27 R115 | K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 2.77Å; L20-E23 PolarHBondContact O-N 3.34Å; E21-E23 PolarHBondContact O-N 2.78Å; E23-E26 WeakPolarHBondContact O-CG 3.48Å; E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 WeakPolarHBondContact O-CG 3.11Å; E23-L27 PolarHBondContact O-N 2.68Å; E23-L27 VanDerWaalsContact O-N 3.16Å; E23-R115 IonicContact OE1-NH1 3.01Å; E23-R115 PolarHBondContact OE1-NH1 3.43Å |
| 24 | I | 73.2 | Confident | 67.2 | Low | 76 Ų | 76 | 78.8 Ų | 78.8 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.3 | -43.1 | 171.5 | -71.2 | 163.8 | 0 | 0 | 0 | 109.3 | L20 E21 L27 D28 | L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.4Å; L20-I24 PolarHBondContact O-N 2.74Å; E21-I24 PolarHBondContact O-N 3.5Å; I24-L27 CarbonylContact O-C 3.52Å; I24-L27 WeakPolarHBondContact O-CB 3.36Å; I24-L27 PolarHBondContact O-N 3.35Å; I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.38Å |
| 25 | E | 73.6 | Confident | 66.8 | Low | 81 Ų | 81 | 82 Ų | 82 | 38% | 0.379 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 179.7 | -156.5 | -165.3 | 157.1 | 0 | 0 | 111.6 | E21 D22 L27 D28 R29 | E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 2.88Å; D22-E25 PolarHBondContact O-N 2.96Å; E25-L27 VanDerWaalsContact C-N 3.25Å; E25-L27 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 3.29Å; E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.86Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.99Å; E25-R29 PolarHBondContact OE1-NE 3.12Å; E25-R29 IonicContact OE1-NH2 2.67Å; E25-R29 PolarHBondContact OE1-NH2 3.47Å; E25-R29 IonicContact OE2-CZ 3.95Å; E25-R29 IonicContact OE2-NH2 3.09Å; E25-R29 PolarHBondContact OE2-NH2 3.38Å; E25-R29 VanDerWaalsContact OE2-NH2 3.09Å |
| 26 | E | 72.5 | Confident | 66.2 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 173.1 | 87.7 | -177.8 | 170.6 | 0 | 0 | 110.4 | D22 E23 S30 | D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.76Å; E23-E26 WeakPolarHBondContact O-CG 3.48Å; E26-S30 WeakPolarHBondContact O-CB 3.38Å; E26-S30 PolarHBondContact O-N 3.11Å; E26-S30 PolarHBondContact O-OG 2.99Å |
| 27 | L | 66.1 | Low | 66.3 | Low | 34 Ų | 34 | 91.6 Ų | 91.6 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 177 | -88.9 | 165.4 | 0 | 0 | 0 | 110.8 | E23 I24 E25 R29 S30 D31 L108 K112 | E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 WeakPolarHBondContact O-CG 3.11Å; E23-L27 PolarHBondContact O-N 2.68Å; E23-L27 VanDerWaalsContact O-N 3.16Å; I24-L27 CarbonylContact O-C 3.52Å; I24-L27 WeakPolarHBondContact O-CB 3.36Å; I24-L27 PolarHBondContact O-N 3.35Å; E25-L27 VanDerWaalsContact C-N 3.25Å; E25-L27 PolarHBondContact O-N 3.41Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-S30 WeakPolarHBondContact CA-OG 3.22Å; L27-S30 CarbonylContact O-C 3.59Å; L27-S30 PolarHBondContact O-N 3.47Å; L27-S30 VanDerWaalsContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.19Å; L27-D31 VanDerWaalsContact O-CB 3.26Å; L27-D31 WeakPolarHBondContact O-CB 3.44Å; L27-D31 PolarHBondContact O-N 3.06Å; L27-L108 HydrophobicContact CD1-CD1 4.12Å; L27-L108 HydrophobicContact CD1-CD2 4.27Å; L27-L108 HydrophobicContact CD2-CD1 3.41Å; L27-L108 VanDerWaalsContact CD2-CD1 3.41Å; L27-L108 HydrophobicContact CG-CD1 4.24Å; L27-K112 VanDerWaalsContact CD1-NZ 3.33Å |
| 28 | D | 68.7 | Low | 66.2 | Low | 85 Ų | 85 | 90.3 Ų | 90.3 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.6 | -112.1 | -21.8 | 0 | 0 | 0 | 111.6 | I24 E25 A32 | I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.38Å; E25-D28 PolarHBondContact O-N 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.4Å; D28-A32 PolarHBondContact O-N 2.88Å |
| 29 | R | 65.8 | Low | 66.1 | Low | 147 Ų | 147 | 93.2 Ų | 93.2 | 56% | 0.555 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 171 | -72.1 | 179.1 | -158.6 | 161.5 | 3.9 | 110.4 | E25 L27 A32 L33 | E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.86Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.99Å; E25-R29 PolarHBondContact OE1-NE 3.12Å; E25-R29 IonicContact OE1-NH2 2.67Å; E25-R29 PolarHBondContact OE1-NH2 3.47Å; E25-R29 IonicContact OE2-CZ 3.95Å; E25-R29 IonicContact OE2-NH2 3.09Å; E25-R29 PolarHBondContact OE2-NH2 3.38Å; E25-R29 VanDerWaalsContact OE2-NH2 3.09Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-A32 PolarHBondContact O-N 3.2Å; R29-L33 VanDerWaalsContact O-CG 3.26Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.28Å |
| 30 | S | 61.5 | Low | 66.3 | Low | 45 Ų | 45 | 93.5 Ų | 93.5 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | -179.7 | 79.5 | 0 | 0 | 0 | 0 | 112.9 | E26 L27 L33 R34 | E26-S30 WeakPolarHBondContact O-CB 3.38Å; E26-S30 PolarHBondContact O-N 3.11Å; E26-S30 PolarHBondContact O-OG 2.99Å; L27-S30 WeakPolarHBondContact CA-OG 3.22Å; L27-S30 CarbonylContact O-C 3.59Å; L27-S30 PolarHBondContact O-N 3.47Å; L27-S30 VanDerWaalsContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.19Å; S30-L33 PolarHBondContact O-N 3.25Å; S30-R34 WeakPolarHBondContact O-CB 3.44Å; S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.91Å |
| 31 | D | 63.2 | Low | 66.8 | Low | 68 Ų | 68 | 94 Ų | 94 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -74.7 | -38 | 176.8 | -80.2 | -25.3 | 0 | 0 | 0 | 110.5 | L27 L33 R34 R35 | L27-D31 VanDerWaalsContact O-CB 3.26Å; L27-D31 WeakPolarHBondContact O-CB 3.44Å; L27-D31 PolarHBondContact O-N 3.06Å; D31-L33 VanDerWaalsContact C-N 3.31Å; D31-L33 PolarHBondContact O-N 2.83Å; D31-R34 CarbonylContact O-C 3.6Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.16Å; D31-R35 WeakPolarHBondContact O-CB 3.33Å; D31-R35 WeakPolarHBondContact O-CG 3.37Å; D31-R35 PolarHBondContact O-N 3.19Å |
| 32 | A | 62.7 | Low | 67.2 | Low | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D28 R29 | D28-A32 WeakPolarHBondContact O-CB 3.4Å; D28-A32 PolarHBondContact O-N 2.88Å; R29-A32 PolarHBondContact O-N 3.2Å |
| 33 | L | 58.3 | Low | 67.6 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.2 | -34.2 | 173.2 | -68 | 173.6 | 0 | 0 | 0 | 112.3 | R29 S30 D31 | R29-L33 VanDerWaalsContact O-CG 3.26Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.28Å; S30-L33 PolarHBondContact O-N 3.25Å; D31-L33 VanDerWaalsContact C-N 3.31Å; D31-L33 PolarHBondContact O-N 2.83Å |
| 34 | R | 52.7 | Low | 68.4 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 40% | 0.404 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.7 | -37 | 178.5 | -83 | 179.1 | 171.9 | -132.5 | 7.1 | 113.5 | S30 D31 K36 R37 | S30-R34 WeakPolarHBondContact O-CB 3.44Å; S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.91Å; D31-R34 CarbonylContact O-C 3.6Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.16Å; R34-K36 PolarHBondContact O-N 3.41Å; R34-R37 WeakPolarHBondContact O-CB 3.33Å; R34-R37 PolarHBondContact O-N 3.03Å |
| 35 | R | 56.3 | Low | 69 | Low | 130 Ų | 130 | 97.6 Ų | 97.6 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.1 | -34.9 | 175.5 | -80.8 | -167 | -74.6 | -96.8 | 4.7 | 111.7 | D31 R37 E38 | D31-R35 WeakPolarHBondContact O-CB 3.33Å; D31-R35 WeakPolarHBondContact O-CG 3.37Å; D31-R35 PolarHBondContact O-N 3.19Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.43Å; R35-E38 WeakPolarHBondContact O-CB 3.44Å; R35-E38 PolarHBondContact O-N 3.39Å; R35-E38 VanDerWaalsContact O-N 3.15Å |
| 36 | K | 56.7 | Low | 69.6 | Low | 143 Ų | 143 | 100.1 Ų | 100.1 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.7 | -31.2 | 173.5 | -74.6 | -174.8 | 178.8 | 179.2 | 0 | 113.5 | R34 E38 Q40 | R34-K36 PolarHBondContact O-N 3.41Å; K36-E38 VanDerWaalsContact C-N 3.32Å; K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.34Å |
| 37 | R | 64.4 | Low | 70.4 | Confident | 157 Ų | 157 | 99.5 Ų | 99.5 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.2 | -26.4 | 177.5 | -67.2 | -169.3 | -173.1 | -144.8 | 2.2 | 112.3 | R34 R35 W39 Q40 F41 | R34-R37 WeakPolarHBondContact O-CB 3.33Å; R34-R37 PolarHBondContact O-N 3.03Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.43Å; R37-W39 VanDerWaalsContact C-N 3.35Å; R37-W39 PolarHBondContact O-N 2.78Å; R37-Q40 PolarHBondContact O-N 2.99Å; R37-F41 HydrophobicContact CB-CD2 4.46Å; R37-F41 HydrophobicContact CB-CE2 4.26Å; R37-F41 WeakPolarHBondContact O-CD2 3.25Å; R37-F41 PolarHBondContact O-N 3.49Å; R37-F41 VanDerWaalsContact O-N 3.1Å |
| 38 | E | 70.5 | Confident | 71.4 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 28% | 0.28 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 179 | -52.9 | -169.1 | 154.1 | 0 | 0 | 110.5 | R35 K36 F41 D42 F97 | R35-E38 WeakPolarHBondContact O-CB 3.44Å; R35-E38 PolarHBondContact O-N 3.39Å; R35-E38 VanDerWaalsContact O-N 3.15Å; K36-E38 VanDerWaalsContact C-N 3.32Å; E38-F41 PolarHBondContact O-N 3Å; E38-D42 PolarHBondContact O-N 3.39Å; E38-F97 HydrophobicContact CB-CE1 4.23Å; E38-F97 HydrophobicContact CB-CZ 4.08Å; E38-F97 HydrophobicContact CG-CD1 4.23Å; E38-F97 HydrophobicContact CG-CE1 3.6Å; E38-F97 HydrophobicContact CG-CZ 3.97Å |
| 39 | W | 70.7 | Confident | 72.4 | Confident | 186 Ų | 186 | 100.7 Ų | 100.7 | 71% | 0.705 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | 177 | -59.8 | -9.5 | 0 | 0 | 0 | 113.2 | R37 F41 D42 I43 | R37-W39 VanDerWaalsContact C-N 3.35Å; R37-W39 PolarHBondContact O-N 2.78Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 PolarHBondContact O-N 2.86Å; W39-D42 PolarHBondContact O-N 2.9Å; W39-I43 WeakPolarHBondContact O-CB 3.37Å; W39-I43 WeakPolarHBondContact O-CD1 3.38Å; W39-I43 WeakPolarHBondContact O-CG1 3.15Å; W39-I43 PolarHBondContact O-N 3.29Å |
| 40 | Q | 75.6 | Confident | 73.6 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.3 | -75 | 175.1 | -15.2 | 0 | 0 | 111.5 | K36 R37 I43 C44 | K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.34Å; R37-Q40 PolarHBondContact O-N 2.99Å; Q40-I43 PolarHBondContact O-N 2.96Å; Q40-C44 WeakPolarHBondContact O-CB 3.36Å; Q40-C44 PolarHBondContact O-N 2.96Å; Q40-C44 PolarHBondContact O-SG 2.95Å; Q40-C44 VanDerWaalsContact O-SG 3.33Å |
| 41 | F | 74.8 | Confident | 75.1 | Confident | 96 Ų | 96 | 100 Ų | 100 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.5 | -75.6 | -65.5 | 0 | 0 | 0 | 111.8 | R37 E38 W39 I43 C44 F45 F93 F97 | R37-F41 HydrophobicContact CB-CD2 4.46Å; R37-F41 HydrophobicContact CB-CE2 4.26Å; R37-F41 WeakPolarHBondContact O-CD2 3.25Å; R37-F41 PolarHBondContact O-N 3.49Å; R37-F41 VanDerWaalsContact O-N 3.1Å; E38-F41 PolarHBondContact O-N 3Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 PolarHBondContact O-N 2.86Å; F41-I43 VanDerWaalsContact C-N 3.3Å; F41-I43 PolarHBondContact O-N 3.22Å; F41-C44 PolarHBondContact O-N 3.19Å; F41-F45 WeakPolarHBondContact O-CB 3.5Å; F41-F45 PolarHBondContact O-N 3.44Å; F41-F93 HydrophobicContact CB-CE2 4.43Å; F41-F97 HydrophobicContact CD2-CZ 4.11Å |
| 42 | D | 80.7 | Confident | 76.3 | Confident | 67 Ų | 67 | 98 Ų | 98 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 173.2 | -82.8 | -34.9 | 0 | 0 | 0 | 112.5 | E38 W39 F45 F46 F93 | E38-D42 PolarHBondContact O-N 3.39Å; W39-D42 PolarHBondContact O-N 2.9Å; D42-F45 WeakPolarHBondContact O-CB 3.46Å; D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.38Å; D42-F93 WeakPolarHBondContact OD1-CE2 3.46Å; D42-F93 WeakPolarHBondContact OD1-CZ 3.38Å; D42-F93 WeakPolarHBondContact OD2-CZ 3.4Å |
| 43 | I | 83.2 | Confident | 77.6 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70 | -52.1 | 178.5 | -67.6 | 162.1 | 0 | 0 | 0 | 111.1 | W39 Q40 F41 F45 F46 V47 | W39-I43 WeakPolarHBondContact O-CB 3.37Å; W39-I43 WeakPolarHBondContact O-CD1 3.38Å; W39-I43 WeakPolarHBondContact O-CG1 3.15Å; W39-I43 PolarHBondContact O-N 3.29Å; Q40-I43 PolarHBondContact O-N 2.96Å; F41-I43 VanDerWaalsContact C-N 3.3Å; F41-I43 PolarHBondContact O-N 3.22Å; I43-F45 PolarHBondContact O-N 3.3Å; I43-F46 PolarHBondContact O-N 2.87Å; I43-F46 VanDerWaalsContact O-N 3.08Å; I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 2.8Å |
| 44 | C | 85.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.3 | -36.4 | 177.1 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | Q40 F41 F48 | Q40-C44 WeakPolarHBondContact O-CB 3.36Å; Q40-C44 PolarHBondContact O-N 2.96Å; Q40-C44 PolarHBondContact O-SG 2.95Å; Q40-C44 VanDerWaalsContact O-SG 3.33Å; F41-C44 PolarHBondContact O-N 3.19Å; C44-F48 PolarHBondContact O-N 3.49Å |
| 45 | F | 85.2 | Confident | 80.9 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 175 | 170.9 | -83.5 | 0 | 0 | 0 | 113 | F41 D42 I43 V47 F48 V49 L89 | F41-F45 WeakPolarHBondContact O-CB 3.5Å; F41-F45 PolarHBondContact O-N 3.44Å; D42-F45 WeakPolarHBondContact O-CB 3.46Å; I43-F45 PolarHBondContact O-N 3.3Å; F45-V47 PolarHBondContact O-N 2.93Å; F45-F48 WeakPolarHBondContact O-CA 3.42Å; F45-F48 WeakPolarHBondContact O-CB 3.47Å; F45-F48 PolarHBondContact O-N 3.35Å; F45-V49 HydrophobicContact CD1-CG2 4.27Å; F45-V49 HydrophobicContact CE1-CG2 3.84Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 PolarHBondContact O-N 3.47Å; F45-L89 HydrophobicContact CD2-CB 4.49Å; F45-L89 HydrophobicContact CD2-CD2 4.1Å; F45-L89 HydrophobicContact CD2-CG 4.14Å; F45-L89 HydrophobicContact CE1-CD2 4.21Å; F45-L89 HydrophobicContact CE2-CB 3.21Å; F45-L89 HydrophobicContact CE2-CD2 3.21Å; F45-L89 HydrophobicContact CE2-CG 3.13Å; F45-L89 HydrophobicContact CZ-CB 3.31Å; F45-L89 HydrophobicContact CZ-CD2 3.23Å; F45-L89 HydrophobicContact CZ-CG 3.53Å |
| 46 | F | 86.1 | Confident | 82.3 | Confident | 134 Ų | 134 | 97.1 Ų | 97.1 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 177.4 | -174.8 | -104.9 | 0 | 0 | 0 | 110.6 | D42 I43 F48 V49 I50 | D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.38Å; I43-F46 PolarHBondContact O-N 2.87Å; I43-F46 VanDerWaalsContact O-N 3.08Å; F46-F48 PolarHBondContact O-N 3.3Å; F46-V49 PolarHBondContact O-N 2.77Å; F46-I50 HydrophobicContact CD1-CD1 3.65Å; F46-I50 HydrophobicContact CE1-CD1 3.34Å; F46-I50 HydrophobicContact CE1-CG1 4.38Å; F46-I50 HydrophobicContact CG-CD1 4.47Å; F46-I50 HydrophobicContact CZ-CD1 3.92Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.31Å |
| 47 | V | 89.6 | Confident | 83.6 | Confident | 86 Ų | 86 | 93.9 Ų | 93.9 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 171.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | I43 F45 I50 L51 | I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 2.8Å; F45-V47 PolarHBondContact O-N 2.93Å; V47-I50 PolarHBondContact O-N 3Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 PolarHBondContact O-N 3.5Å |
| 48 | F | 88.6 | Confident | 84.7 | Confident | 118 Ų | 118 | 93.6 Ų | 93.6 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.4 | -175.3 | -96.2 | 0 | 0 | 0 | 112.5 | C44 F45 F46 L51 S52 | C44-F48 PolarHBondContact O-N 3.49Å; F45-F48 WeakPolarHBondContact O-CA 3.42Å; F45-F48 WeakPolarHBondContact O-CB 3.47Å; F45-F48 PolarHBondContact O-N 3.35Å; F46-F48 PolarHBondContact O-N 3.3Å; F48-L51 PolarHBondContact O-N 2.98Å; F48-S52 WeakPolarHBondContact O-CB 3.36Å; F48-S52 PolarHBondContact O-N 3.07Å; F48-S52 PolarHBondContact O-OG 3.28Å |
| 49 | V | 88.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 93.9 Ų | 93.9 | 16% | 0.158 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | F45 F46 S52 Y53 L89 | F45-V49 HydrophobicContact CD1-CG2 4.27Å; F45-V49 HydrophobicContact CE1-CG2 3.84Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 PolarHBondContact O-N 3.47Å; F46-V49 PolarHBondContact O-N 2.77Å; V49-S52 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-OG 2.9Å; V49-Y53 PolarHBondContact O-N 3.43Å; V49-L89 HydrophobicContact CG2-CD2 3.89Å |
| 50 | I | 90.7 | Very high | 85.7 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.6 | -68.3 | 169.7 | 0 | 0 | 0 | 111.1 | F46 V47 S52 Y53 L54 | F46-I50 HydrophobicContact CD1-CD1 3.65Å; F46-I50 HydrophobicContact CE1-CD1 3.34Å; F46-I50 HydrophobicContact CE1-CG1 4.38Å; F46-I50 HydrophobicContact CG-CD1 4.47Å; F46-I50 HydrophobicContact CZ-CD1 3.92Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.31Å; V47-I50 PolarHBondContact O-N 3Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.13Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.47Å; I50-Y53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 4.19Å; I50-L54 HydrophobicContact CG2-CG 4.44Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å |
| 51 | L | 92.5 | Very high | 85.9 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.4 | -175.7 | 67.6 | 0 | 0 | 0 | 111.2 | V47 F48 Y53 L54 L55 | V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 PolarHBondContact O-N 3.5Å; F48-L51 PolarHBondContact O-N 2.98Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.01Å; L51-L55 WeakPolarHBondContact O-CB 3.12Å; L51-L55 PolarHBondContact O-N 3.41Å |
| 52 | S | 89 | Confident | 86.1 | Confident | 24 Ų | 24 | 87.9 Ų | 87.9 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 111.4 | F48 V49 I50 L55 L56 | F48-S52 WeakPolarHBondContact O-CB 3.36Å; F48-S52 PolarHBondContact O-N 3.07Å; F48-S52 PolarHBondContact O-OG 3.28Å; V49-S52 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-OG 2.9Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.13Å; S52-L55 PolarHBondContact O-N 3.42Å; S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 VanDerWaalsContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.41Å; S52-L56 PolarHBondContact O-N 3.01Å |
| 53 | Y | 89.7 | Confident | 85.5 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 57% | 0.569 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 175.8 | 175.5 | -97.9 | 0 | 0 | 0 | 112.4 | V49 I50 L51 L56 T57 | V49-Y53 PolarHBondContact O-N 3.43Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.47Å; I50-Y53 VanDerWaalsContact O-N 3.16Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.84Å; Y53-L56 WeakPolarHBondContact O-CB 3.31Å; Y53-L56 PolarHBondContact O-N 3.37Å; Y53-T57 PolarHBondContact O-N 3.12Å; Y53-T57 PolarHBondContact O-OG1 2.93Å |
| 54 | L | 91.6 | Very high | 84.6 | Confident | 99 Ų | 99 | 88.7 Ų | 88.7 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.1 | -71.6 | 174.8 | 0 | 0 | 0 | 111.5 | I50 L51 L56 T57 Y58 | I50-L54 HydrophobicContact CG2-CD1 4.19Å; I50-L54 HydrophobicContact CG2-CG 4.44Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å; L51-L54 PolarHBondContact O-N 3.01Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-Y58 WeakPolarHBondContact O-CB 3.33Å; L54-Y58 PolarHBondContact O-N 2.83Å |
| 55 | L | 88.7 | Confident | 83.7 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.6 | -165.1 | 66.9 | 0 | 0 | 0 | 110.9 | L51 S52 Y58 I59 | L51-L55 WeakPolarHBondContact O-CB 3.12Å; L51-L55 PolarHBondContact O-N 3.41Å; S52-L55 PolarHBondContact O-N 3.42Å; L55-Y58 PolarHBondContact O-N 3.33Å; L55-I59 HydrophobicContact CD1-CD1 4.39Å; L55-I59 HydrophobicContact CD2-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CD1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.88Å |
| 56 | L | 85.7 | Confident | 82.5 | Confident | 50 Ų | 50 | 97.6 Ų | 97.6 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -48 | 174.4 | -99.8 | 56.7 | 0 | 0 | 0 | 111.4 | S52 Y53 L54 G60 W74 L78 | S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 VanDerWaalsContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.41Å; S52-L56 PolarHBondContact O-N 3.01Å; Y53-L56 WeakPolarHBondContact O-CB 3.31Å; Y53-L56 PolarHBondContact O-N 3.37Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.37Å; L56-G60 PolarHBondContact O-N 3.44Å; L56-W74 HydrophobicContact CB-CH2 4.32Å; L56-W74 HydrophobicContact CB-CZ3 4.17Å; L56-W74 HydrophobicContact CG-CH2 4.14Å; L56-W74 HydrophobicContact CG-CZ3 4.05Å; L56-W74 WeakPolarHBondContact O-CH2 3.41Å; L56-W74 WeakPolarHBondContact O-CZ3 3.17Å; L56-L78 HydrophobicContact CD2-CD1 3.69Å |
| 57 | T | 83.6 | Confident | 81.3 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.3 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | Y53 L54 G60 F61 | Y53-T57 PolarHBondContact O-N 3.12Å; Y53-T57 PolarHBondContact O-OG1 2.93Å; L54-T57 PolarHBondContact O-N 3.29Å; T57-G60 PolarHBondContact O-N 3.44Å; T57-F61 PolarHBondContact O-N 2.76Å |
| 58 | Y | 87.9 | Confident | 80.1 | Confident | 151 Ų | 151 | 103.5 Ų | 103.5 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 179.7 | 177.8 | -101.7 | 0 | 0 | 0 | 112 | L54 L55 G60 F61 V62 | L54-Y58 WeakPolarHBondContact O-CB 3.33Å; L54-Y58 PolarHBondContact O-N 2.83Å; L55-Y58 PolarHBondContact O-N 3.33Å; Y58-G60 VanDerWaalsContact C-N 3.32Å; Y58-G60 PolarHBondContact O-N 3.49Å; Y58-F61 PolarHBondContact O-N 3.43Å; Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CD2-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 HydrophobicContact CE2-CG2 3.96Å; Y58-V62 WeakPolarHBondContact O-CG2 3.47Å; Y58-V62 PolarHBondContact O-N 2.83Å |
| 59 | I | 82.9 | Confident | 79.2 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 34% | 0.338 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | 179 | -56.1 | 155.7 | 0 | 0 | 0 | 110.8 | L55 F61 G63 W74 | L55-I59 HydrophobicContact CD1-CD1 4.39Å; L55-I59 HydrophobicContact CD2-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CD1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.88Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.21Å; I59-G63 VanDerWaalsContact O-CA 3.31Å; I59-G63 WeakPolarHBondContact O-CA 3.24Å; I59-G63 PolarHBondContact O-N 3.16Å; I59-W74 HydrophobicContact CB-CH2 3.54Å; I59-W74 HydrophobicContact CB-CZ2 3.31Å; I59-W74 HydrophobicContact CD1-CH2 4.21Å; I59-W74 HydrophobicContact CD1-CZ2 4.03Å; I59-W74 HydrophobicContact CG1-CH2 4.48Å; I59-W74 HydrophobicContact CG1-CZ2 4.29Å; I59-W74 HydrophobicContact CG2-CH2 3.91Å; I59-W74 HydrophobicContact CG2-CZ2 3.12Å |
| 60 | G | 79.4 | Confident | 78.2 | Confident | 31 Ų | 31 | 113 Ų | 113 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L56 T57 Y58 K64 | L56-G60 PolarHBondContact O-N 3.44Å; T57-G60 PolarHBondContact O-N 3.44Å; Y58-G60 VanDerWaalsContact C-N 3.32Å; Y58-G60 PolarHBondContact O-N 3.49Å; G60-K64 PolarHBondContact O-N 3.23Å |
| 61 | F | 81.2 | Confident | 77.3 | Confident | 163 Ų | 163 | 114.4 Ų | 114.4 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.2 | -46.1 | 176.5 | -168.9 | -96.9 | 0 | 0 | 0 | 112.4 | T57 Y58 I59 K64 | T57-F61 PolarHBondContact O-N 2.76Å; Y58-F61 PolarHBondContact O-N 3.43Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.21Å; F61-K64 WeakPolarHBondContact O-CB 3.34Å; F61-K64 PolarHBondContact O-N 3.42Å |
| 62 | V | 78.4 | Confident | 76.6 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | Y58 K64 E65 | Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CD2-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 HydrophobicContact CE2-CG2 3.96Å; Y58-V62 WeakPolarHBondContact O-CG2 3.47Å; Y58-V62 PolarHBondContact O-N 2.83Å; V62-K64 PolarHBondContact O-N 2.77Å; V62-E65 PolarHBondContact O-N 3.46Å |
| 63 | G | 68.3 | Low | 76.3 | Confident | 21 Ų | 21 | 118.9 Ų | 118.9 | 22% | 0.216 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -71.9 | -12.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I59 H66 K67 | I59-G63 VanDerWaalsContact O-CA 3.31Å; I59-G63 WeakPolarHBondContact O-CA 3.24Å; I59-G63 PolarHBondContact O-N 3.16Å; G63-H66 CarbonylContact C-O 3.6Å; G63-H66 CarbonylContact O-C 3.02Å; G63-H66 PolarHBondContact O-N 3.35Å; G63-K67 PolarHBondContact O-N 3.44Å |
| 64 | K | 64.5 | Low | 75.8 | Confident | 173 Ų | 173 | 115.1 Ų | 115.1 | 75% | 0.752 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -36.7 | 174 | -117 | 178 | 176.9 | 170.9 | 0 | 112.4 | G60 F61 V62 H66 | G60-K64 PolarHBondContact O-N 3.23Å; F61-K64 WeakPolarHBondContact O-CB 3.34Å; F61-K64 PolarHBondContact O-N 3.42Å; V62-K64 PolarHBondContact O-N 2.77Å; K64-H66 VanDerWaalsContact C-N 3.29Å |
| 65 | E | 64.8 | Low | 75.2 | Confident | 186 Ų | 186 | 115.5 Ų | 115.5 | 87% | 0.869 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.7 | -33.8 | 174.7 | -82.3 | -80 | 137.8 | 0 | 0 | 111.7 | V62 | V62-E65 PolarHBondContact O-N 3.46Å |
| 66 | H | 60.6 | Low | 75.1 | Confident | 151 Ų | 151 | 117.5 Ų | 117.5 | 70% | 0.699 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -135.9 | 90.1 | -173.2 | -149.6 | -25.9 | 0 | 0 | 0 | 106.5 | G63 K64 | G63-H66 CarbonylContact C-O 3.6Å; G63-H66 CarbonylContact O-C 3.02Å; G63-H66 PolarHBondContact O-N 3.35Å; K64-H66 VanDerWaalsContact C-N 3.29Å |
| 67 | K | 60.3 | Low | 75.1 | Confident | 97 Ų | 97 | 119.7 Ų | 119.7 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | trans | 158.7 | 90.7 | 145.8 | -79.7 | 157 | -171.9 | -150.8 | 0 | 115.1 | G63 R69 Y70 | G63-K67 PolarHBondContact O-N 3.44Å; K67-R69 PolarHBondContact O-N 3.3Å; K67-Y70 HydrophobicContact CB-CD2 4.14Å; K67-Y70 HydrophobicContact CD-CD2 3.68Å; K67-Y70 HydrophobicContact CD-CE2 4.4Å; K67-Y70 HydrophobicContact CD-CG 4.13Å; K67-Y70 HydrophobicContact CG-CD2 3.49Å; K67-Y70 VanDerWaalsContact CG-CD2 3.49Å; K67-Y70 HydrophobicContact CG-CE2 4.15Å; K67-Y70 HydrophobicContact CG-CG 4.34Å | ||
| 68 | R | 65.9 | Low | 75.2 | Confident | 247 Ų | 247 | 119.9 Ų | 119.9 | 93% | 0.932 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -66.2 | -13 | 155.5 | -174.9 | 170.8 | 170 | -177.1 | -2.2 | 113.8 | ||
| 69 | R | 68.1 | Low | 75.1 | Confident | 221 Ų | 221 | 119.2 Ų | 119.2 | 83% | 0.834 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -102.4 | -17.1 | -171.7 | -76.2 | -129.9 | -164.8 | 177.3 | 5.6 | 116.7 | K67 | K67-R69 PolarHBondContact O-N 3.3Š|
| 70 | Y | 68.3 | Low | 75.4 | Confident | 122 Ų | 122 | 121.9 Ų | 121.9 | 48% | 0.478 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -119.9 | 9.1 | -176.1 | -57.2 | -99.7 | 0 | 0 | 0 | 113.9 | K67 P72 F73 W74 | K67-Y70 HydrophobicContact CB-CD2 4.14Å; K67-Y70 HydrophobicContact CD-CD2 3.68Å; K67-Y70 HydrophobicContact CD-CE2 4.4Å; K67-Y70 HydrophobicContact CD-CG 4.13Å; K67-Y70 HydrophobicContact CG-CD2 3.49Å; K67-Y70 VanDerWaalsContact CG-CD2 3.49Å; K67-Y70 HydrophobicContact CG-CE2 4.15Å; K67-Y70 HydrophobicContact CG-CG 4.34Å; Y70-P72 VanDerWaalsContact C-N 3.28Å; Y70-F73 AromaticContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CE2 4.31Å; Y70-F73 HydrophobicContact CG-CD2 4.47Å; Y70-F73 PolarHBondContact O-N 3.24Å; Y70-F73 VanDerWaalsContact O-N 3.13Å; Y70-W74 PolarHBondContact O-N 2.67Å |
| 71 | E | 71.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 121.5 Ų | 121.5 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -38.5 | -50.6 | 166.8 | -77.5 | -70.4 | 165 | 0 | 0 | 113.2 | F73 W74 L75 | E71-F73 PolarHBondContact O-N 2.82Å; E71-W74 PolarHBondContact O-N 3.26Å; E71-L75 PolarHBondContact O-N 2.8Å |
| 72 | P | 77.7 | Confident | 76.1 | Confident | 82 Ų | 82 | 120.3 Ų | 120.3 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -36.3 | -176.5 | 26.1 | -34.8 | 0 | 0 | 0 | 113.5 | Y70 W74 L75 F76 | Y70-P72 VanDerWaalsContact C-N 3.28Å; P72-W74 VanDerWaalsContact C-N 3.29Å; P72-W74 PolarHBondContact O-N 3.41Å; P72-L75 PolarHBondContact O-N 3.09Å; P72-F76 WeakPolarHBondContact O-CB 3.09Å; P72-F76 PolarHBondContact O-N 3.28Å |
| 73 | F | 83.2 | Confident | 76.6 | Confident | 139 Ų | 139 | 119.9 Ų | 119.9 | 61% | 0.61 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.8 | -34.7 | -179.6 | -67.4 | -69.6 | 0 | 0 | 0 | 111.7 | Y70 E71 F76 I77 | Y70-F73 AromaticContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CE2 4.31Å; Y70-F73 HydrophobicContact CG-CD2 4.47Å; Y70-F73 PolarHBondContact O-N 3.24Å; Y70-F73 VanDerWaalsContact O-N 3.13Å; E71-F73 PolarHBondContact O-N 2.82Å; F73-F76 PolarHBondContact O-N 2.98Å; F73-I77 PolarHBondContact O-N 2.74Å |
| 74 | W | 80.1 | Confident | 77.7 | Confident | 66 Ų | 66 | 124.2 Ų | 124.2 | 25% | 0.25 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -67.7 | -42.2 | 176.6 | -108.7 | 87.8 | 0 | 0 | 0 | 113 | L56 I59 Y70 E71 P72 F76 I77 L78 | L56-W74 HydrophobicContact CB-CH2 4.32Å; L56-W74 HydrophobicContact CB-CZ3 4.17Å; L56-W74 HydrophobicContact CG-CH2 4.14Å; L56-W74 HydrophobicContact CG-CZ3 4.05Å; L56-W74 WeakPolarHBondContact O-CH2 3.41Å; L56-W74 WeakPolarHBondContact O-CZ3 3.17Å; I59-W74 HydrophobicContact CB-CH2 3.54Å; I59-W74 HydrophobicContact CB-CZ2 3.31Å; I59-W74 HydrophobicContact CD1-CH2 4.21Å; I59-W74 HydrophobicContact CD1-CZ2 4.03Å; I59-W74 HydrophobicContact CG1-CH2 4.48Å; I59-W74 HydrophobicContact CG1-CZ2 4.29Å; I59-W74 HydrophobicContact CG2-CH2 3.91Å; I59-W74 HydrophobicContact CG2-CZ2 3.12Å; Y70-W74 PolarHBondContact O-N 2.67Å; E71-W74 PolarHBondContact O-N 3.26Å; P72-W74 VanDerWaalsContact C-N 3.29Å; P72-W74 PolarHBondContact O-N 3.41Å; W74-F76 VanDerWaalsContact C-N 3.34Å; W74-I77 WeakPolarHBondContact O-CG2 3.07Å; W74-L78 WeakPolarHBondContact O-CB 3.32Å; W74-L78 PolarHBondContact O-N 2.82Å; W74-L78 VanDerWaalsContact O-N 3.1Å |
| 75 | L | 79.1 | Confident | 78.8 | Confident | 108 Ų | 108 | 118.6 Ų | 118.6 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.7 | -37.7 | 174 | -66.2 | 172.9 | 0 | 0 | 0 | 111.3 | E71 P72 L78 L79 | E71-L75 PolarHBondContact O-N 2.8Å; P72-L75 PolarHBondContact O-N 3.09Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.87Å |
| 76 | F | 86.7 | Confident | 79.9 | Confident | 137 Ų | 137 | 113.1 Ų | 113.1 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.2 | -42.9 | 178.8 | -164.6 | -95.3 | 0 | 0 | 0 | 112.5 | P72 F73 W74 L78 L79 F80 | P72-F76 WeakPolarHBondContact O-CB 3.09Å; P72-F76 PolarHBondContact O-N 3.28Å; F73-F76 PolarHBondContact O-N 2.98Å; W74-F76 VanDerWaalsContact C-N 3.34Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.78Å; F76-L79 PolarHBondContact O-N 2.7Å; F76-F80 HydrophobicContact CD1-CB 4.44Å; F76-F80 HydrophobicContact CE1-CB 4.19Å; F76-F80 HydrophobicContact CE1-CG 4.48Å; F76-F80 HydrophobicContact CZ-CB 4.43Å; F76-F80 VanDerWaalsContact O-CB 3.3Å; F76-F80 WeakPolarHBondContact O-CB 3.42Å; F76-F80 PolarHBondContact O-N 2.68Å |
| 77 | I | 85.2 | Confident | 81.2 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 175.5 | -162.6 | 80.5 | 0 | 0 | 0 | 111.1 | F73 W74 G81 | F73-I77 PolarHBondContact O-N 2.74Å; W74-I77 WeakPolarHBondContact O-CG2 3.07Å; I77-G81 WeakPolarHBondContact O-CA 3.27Å; I77-G81 PolarHBondContact O-N 2.77Å |
| 78 | L | 85.4 | Confident | 82.5 | Confident | 80 Ų | 80 | 111.3 Ų | 111.3 | 42% | 0.419 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.2 | -45.1 | 176.2 | -176 | 63.6 | 0 | 0 | 0 | 111.4 | L56 W74 L75 F76 Y82 | L56-L78 HydrophobicContact CD2-CD1 3.69Å; W74-L78 WeakPolarHBondContact O-CB 3.32Å; W74-L78 PolarHBondContact O-N 2.82Å; W74-L78 VanDerWaalsContact O-N 3.1Å; L75-L78 PolarHBondContact O-N 3.36Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.78Å; L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.48Å; L78-Y82 PolarHBondContact O-N 3.41Å |
| 79 | L | 86.5 | Confident | 83.4 | Confident | 138 Ų | 138 | 100.5 Ų | 100.5 | 72% | 0.723 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.6 | -44 | -176.3 | -175.6 | 63.9 | 0 | 0 | 0 | 112.6 | L75 F76 P83 | L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.87Å; F76-L79 PolarHBondContact O-N 2.7Å; L79-P83 WeakPolarHBondContact O-CD 3.47Å; L79-P83 VanDerWaalsContact O-CG 3.28Å; L79-P83 WeakPolarHBondContact O-CG 3.32Å |
| 80 | F | 89.4 | Confident | 84.2 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -94.3 | -36.3 | -178.3 | -159.3 | -102.7 | 0 | 0 | 0 | 112.2 | F76 Y82 P83 F84 | F76-F80 HydrophobicContact CD1-CB 4.44Å; F76-F80 HydrophobicContact CE1-CB 4.19Å; F76-F80 HydrophobicContact CE1-CG 4.48Å; F76-F80 HydrophobicContact CZ-CB 4.43Å; F76-F80 VanDerWaalsContact O-CB 3.3Å; F76-F80 WeakPolarHBondContact O-CB 3.42Å; F76-F80 PolarHBondContact O-N 2.68Å; F80-Y82 PolarHBondContact O-N 3.48Å; F80-P83 VanDerWaalsContact O-CD 3.32Å; F80-P83 WeakPolarHBondContact O-CD 3.17Å; F80-P83 WeakPolarHBondContact O-CG 3.18Å; F80-F84 HydrophobicContact CD1-CB 4.42Å; F80-F84 HydrophobicContact CE1-CB 4.46Å; F80-F84 HydrophobicContact CE1-CD2 4.25Å; F80-F84 WeakPolarHBondContact O-CB 3.48Å; F80-F84 PolarHBondContact O-N 2.94Å; F80-F84 VanDerWaalsContact O-N 3.07Å |
| 81 | G | 87.5 | Confident | 85.1 | Confident | 22 Ų | 22 | 100.8 Ų | 100.8 | 23% | 0.227 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I77 F84 L85 | I77-G81 WeakPolarHBondContact O-CA 3.27Å; I77-G81 PolarHBondContact O-N 2.77Å; G81-F84 PolarHBondContact O-N 3.5Å; G81-L85 WeakPolarHBondContact O-CA 3.44Å; G81-L85 WeakPolarHBondContact O-CB 3.27Å; G81-L85 PolarHBondContact O-N 3.42Å |
| 82 | Y | 85.8 | Confident | 85.7 | Confident | 139 Ų | 139 | 100.2 Ų | 100.2 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -55.6 | 178.9 | -175.6 | -102.2 | 0 | 0 | 0 | 114.2 | L78 F80 F84 L85 L86 | L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.48Å; L78-Y82 PolarHBondContact O-N 3.41Å; F80-Y82 PolarHBondContact O-N 3.48Å; Y82-F84 VanDerWaalsContact C-N 3.35Å; Y82-F84 PolarHBondContact O-N 3.21Å; Y82-L85 PolarHBondContact O-N 3.42Å; Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CE1-CD1 3.44Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.44Å; Y82-L86 HydrophobicContact CE1-CG 4.41Å; Y82-L86 HydrophobicContact CE2-CD1 4.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.13Å; Y82-L86 PolarHBondContact O-N 3.4Å |
| 83 | P | 90.4 | Very high | 85.9 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 42% | 0.422 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 177.3 | 26.3 | -34.5 | 0 | 0 | 0 | 112.2 | L79 F80 L86 Y87 | L79-P83 WeakPolarHBondContact O-CD 3.47Å; L79-P83 VanDerWaalsContact O-CG 3.28Å; L79-P83 WeakPolarHBondContact O-CG 3.32Å; F80-P83 VanDerWaalsContact O-CD 3.32Å; F80-P83 WeakPolarHBondContact O-CD 3.17Å; F80-P83 WeakPolarHBondContact O-CG 3.18Å; P83-L86 PolarHBondContact O-N 2.88Å; P83-Y87 VanDerWaalsContact O-CB 3.29Å; P83-Y87 WeakPolarHBondContact O-CB 3.26Å; P83-Y87 PolarHBondContact O-N 3.44Å |
| 84 | F | 90.1 | Very high | 85.8 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.4 | -173.7 | -98.1 | 0 | 0 | 0 | 111.6 | F80 G81 Y82 Y87 L88 | F80-F84 HydrophobicContact CD1-CB 4.42Å; F80-F84 HydrophobicContact CE1-CB 4.46Å; F80-F84 HydrophobicContact CE1-CD2 4.25Å; F80-F84 WeakPolarHBondContact O-CB 3.48Å; F80-F84 PolarHBondContact O-N 2.94Å; F80-F84 VanDerWaalsContact O-N 3.07Å; G81-F84 PolarHBondContact O-N 3.5Å; Y82-F84 VanDerWaalsContact C-N 3.35Å; Y82-F84 PolarHBondContact O-N 3.21Å; F84-Y87 PolarHBondContact O-N 2.73Å; F84-L88 HydrophobicContact CE1-CD2 3.9Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 2.73Å |
| 85 | L | 88.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -57 | 175.7 | -165.7 | 70.7 | 0 | 0 | 0 | 108.5 | G81 Y82 Y87 L88 L89 | G81-L85 WeakPolarHBondContact O-CA 3.44Å; G81-L85 WeakPolarHBondContact O-CB 3.27Å; G81-L85 PolarHBondContact O-N 3.42Å; Y82-L85 PolarHBondContact O-N 3.42Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; L85-L88 PolarHBondContact O-N 2.92Å; L85-L89 HydrophobicContact CD1-CD1 3.54Å; L85-L89 HydrophobicContact CD1-CD2 4.24Å; L85-L89 HydrophobicContact CD2-CD2 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.8Å; L85-L89 HydrophobicContact CG-CD2 3.75Å; L85-L89 HydrophobicContact CG-CG 4.45Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 3.36Å |
| 86 | L | 87.8 | Confident | 85.6 | Confident | 72 Ų | 72 | 99.1 Ų | 99.1 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -52.7 | -43.1 | 177.9 | -72.4 | 178.1 | 0 | 0 | 0 | 113.5 | Y82 P83 R90 | Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CE1-CD1 3.44Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.44Å; Y82-L86 HydrophobicContact CE1-CG 4.41Å; Y82-L86 HydrophobicContact CE2-CD1 4.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.13Å; Y82-L86 PolarHBondContact O-N 3.4Å; P83-L86 PolarHBondContact O-N 2.88Å; L86-R90 WeakPolarHBondContact O-CB 3.12Å; L86-R90 PolarHBondContact O-N 2.94Å |
| 87 | Y | 88.7 | Confident | 84.6 | Confident | 139 Ų | 139 | 94 Ų | 94 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -52.1 | 179.9 | -179.4 | -93.6 | 0 | 0 | 0 | 112.6 | P83 F84 L85 L89 R90 R91 | P83-Y87 VanDerWaalsContact O-CB 3.29Å; P83-Y87 WeakPolarHBondContact O-CB 3.26Å; P83-Y87 PolarHBondContact O-N 3.44Å; F84-Y87 PolarHBondContact O-N 2.73Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; Y87-L89 PolarHBondContact O-N 3.1Å; Y87-R90 PolarHBondContact O-N 2.91Å; Y87-R91 WeakPolarHBondContact O-CB 3.31Å; Y87-R91 PolarHBondContact O-N 3.16Å; Y87-R91 PolarHBondContact OH-NH1 3.45Å |
| 88 | L | 86.4 | Confident | 83.8 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 37% | 0.366 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | -179.3 | -176.3 | 62.8 | 0 | 0 | 0 | 110.1 | F84 L85 R91 I92 | F84-L88 HydrophobicContact CE1-CD2 3.9Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 2.73Å; L85-L88 PolarHBondContact O-N 2.92Å; L88-R91 PolarHBondContact O-N 2.8Å; L88-I92 HydrophobicContact CD1-CD1 4.19Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.4Å; L88-I92 WeakPolarHBondContact O-CB 3.17Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.04Å |
| 89 | L | 85 | Confident | 82.8 | Confident | 20 Ų | 20 | 95.5 Ų | 95.5 | 11% | 0.105 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 179 | -91.3 | 55.6 | 0 | 0 | 0 | 112.3 | F45 V49 L85 Y87 R91 I92 F93 | F45-L89 HydrophobicContact CD2-CB 4.49Å; F45-L89 HydrophobicContact CD2-CD2 4.1Å; F45-L89 HydrophobicContact CD2-CG 4.14Å; F45-L89 HydrophobicContact CE1-CD2 4.21Å; F45-L89 HydrophobicContact CE2-CB 3.21Å; F45-L89 HydrophobicContact CE2-CD2 3.21Å; F45-L89 HydrophobicContact CE2-CG 3.13Å; F45-L89 HydrophobicContact CZ-CB 3.31Å; F45-L89 HydrophobicContact CZ-CD2 3.23Å; F45-L89 HydrophobicContact CZ-CG 3.53Å; V49-L89 HydrophobicContact CG2-CD2 3.89Å; L85-L89 HydrophobicContact CD1-CD1 3.54Å; L85-L89 HydrophobicContact CD1-CD2 4.24Å; L85-L89 HydrophobicContact CD2-CD2 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.8Å; L85-L89 HydrophobicContact CG-CD2 3.75Å; L85-L89 HydrophobicContact CG-CG 4.45Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 3.36Å; Y87-L89 PolarHBondContact O-N 3.1Å; L89-R91 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.45Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.1Å |
| 90 | R | 86.1 | Confident | 81.8 | Confident | 194 Ų | 194 | 95.9 Ų | 95.9 | 73% | 0.732 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.6 | -35.5 | 173.6 | -177.5 | 175 | 175.7 | 104.2 | -2.9 | 111.7 | L86 Y87 S94 | L86-R90 WeakPolarHBondContact O-CB 3.12Å; L86-R90 PolarHBondContact O-N 2.94Å; Y87-R90 PolarHBondContact O-N 2.91Å; R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 3.47Å; R90-S94 PolarHBondContact O-OG 3.45Å |
| 91 | R | 86.6 | Confident | 80.2 | Confident | 155 Ų | 155 | 98 Ų | 98 | 59% | 0.585 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -74.9 | -44.5 | -179.6 | -169.7 | 154.8 | -177 | 145.1 | 0.6 | 112.3 | Y87 L88 L89 F93 F95 | Y87-R91 WeakPolarHBondContact O-CB 3.31Å; Y87-R91 PolarHBondContact O-N 3.16Å; Y87-R91 PolarHBondContact OH-NH1 3.45Å; L88-R91 PolarHBondContact O-N 2.8Å; L89-R91 PolarHBondContact O-N 3.49Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-F95 WeakPolarHBondContact O-CB 2.99Å; R91-F95 PolarHBondContact O-N 2.99Å |
| 92 | I | 84.1 | Confident | 78.7 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.5 | -68.3 | 166.8 | 0 | 0 | 0 | 109.5 | L88 L89 F95 Y96 | L88-I92 HydrophobicContact CD1-CD1 4.19Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.4Å; L88-I92 WeakPolarHBondContact O-CB 3.17Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.04Å; L89-I92 PolarHBondContact O-N 3.45Å; I92-F95 PolarHBondContact O-N 2.88Å; I92-Y96 WeakPolarHBondContact O-CA 3.43Å; I92-Y96 WeakPolarHBondContact O-CB 3.38Å; I92-Y96 PolarHBondContact O-N 2.84Å |
| 93 | F | 82.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 26% | 0.259 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 178.7 | -169.4 | -99.9 | 0 | 0 | 0 | 112.1 | F41 D42 L89 R91 F95 Y96 F97 | F41-F93 HydrophobicContact CB-CE2 4.43Å; D42-F93 WeakPolarHBondContact OD1-CE2 3.46Å; D42-F93 WeakPolarHBondContact OD1-CZ 3.38Å; D42-F93 WeakPolarHBondContact OD2-CZ 3.4Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.1Å; R91-F93 VanDerWaalsContact C-N 3.33Å; F93-F95 PolarHBondContact O-N 3.22Å; F93-Y96 PolarHBondContact O-N 3.32Å; F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD2-CD2 4.15Å; F93-F97 AromaticContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CE1-CD2 4.08Å; F93-F97 HydrophobicContact CE1-CE2 4.32Å; F93-F97 AromaticContact CE2-CD2 3.86Å; F93-F97 HydrophobicContact CE2-CD2 3.86Å; F93-F97 AromaticContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CZ 4.49Å; F93-F97 HydrophobicContact CG-CD2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.79Å; F93-F97 HydrophobicContact CZ-CD2 3.79Å; F93-F97 AromaticContact CZ-CE2 3.56Å; F93-F97 HydrophobicContact CZ-CE2 3.56Å; F93-F97 WeakPolarHBondContact O-CD2 3.35Å; F93-F97 PolarHBondContact O-N 2.74Å; F93-F97 VanDerWaalsContact O-N 3.14Å |
| 94 | S | 79.4 | Confident | 76 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 49% | 0.49 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | R90 A98 | R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 3.47Å; R90-S94 PolarHBondContact O-OG 3.45Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 3.36Å |
| 95 | F | 77.5 | Confident | 74.6 | Confident | 128 Ų | 128 | 100 Ų | 100 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.3 | -38.1 | -177 | -173.5 | -98.9 | 0 | 0 | 0 | 112.3 | R91 I92 F93 A98 R99 | R91-F95 WeakPolarHBondContact O-CB 2.99Å; R91-F95 PolarHBondContact O-N 2.99Å; I92-F95 PolarHBondContact O-N 2.88Å; F93-F95 PolarHBondContact O-N 3.22Å; F95-A98 PolarHBondContact O-N 2.76Å; F95-R99 HydrophobicContact CD1-CB 4.45Å; F95-R99 HydrophobicContact CE1-CB 4.27Å; F95-R99 HydrophobicContact CE1-CG 4.34Å; F95-R99 WeakPolarHBondContact O-CB 3.06Å; F95-R99 PolarHBondContact O-N 2.79Å |
| 96 | Y | 77.6 | Confident | 73.6 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 45% | 0.451 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 178.6 | -178.7 | -98.1 | 0 | 0 | 0 | 110.7 | I92 F93 R100 | I92-Y96 WeakPolarHBondContact O-CA 3.43Å; I92-Y96 WeakPolarHBondContact O-CB 3.38Å; I92-Y96 PolarHBondContact O-N 2.84Å; F93-Y96 PolarHBondContact O-N 3.32Å; Y96-R100 WeakPolarHBondContact O-CB 3.27Å; Y96-R100 PolarHBondContact O-N 3.07Å |
| 97 | F | 66.5 | Low | 72.6 | Confident | 28 Ų | 28 | 103.6 Ų | 103.6 | 12% | 0.123 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.7 | -36.6 | 175.4 | -80 | -69 | 0 | 0 | 0 | 113.2 | E38 F41 F93 R101 | E38-F97 HydrophobicContact CB-CE1 4.23Å; E38-F97 HydrophobicContact CB-CZ 4.08Å; E38-F97 HydrophobicContact CG-CD1 4.23Å; E38-F97 HydrophobicContact CG-CE1 3.6Å; E38-F97 HydrophobicContact CG-CZ 3.97Å; F41-F97 HydrophobicContact CD2-CZ 4.11Å; F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD2-CD2 4.15Å; F93-F97 AromaticContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CE1-CD2 4.08Å; F93-F97 HydrophobicContact CE1-CE2 4.32Å; F93-F97 AromaticContact CE2-CD2 3.86Å; F93-F97 HydrophobicContact CE2-CD2 3.86Å; F93-F97 AromaticContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CZ 4.49Å; F93-F97 HydrophobicContact CG-CD2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.79Å; F93-F97 HydrophobicContact CZ-CD2 3.79Å; F93-F97 AromaticContact CZ-CE2 3.56Å; F93-F97 HydrophobicContact CZ-CE2 3.56Å; F93-F97 WeakPolarHBondContact O-CD2 3.35Å; F93-F97 PolarHBondContact O-N 2.74Å; F93-F97 VanDerWaalsContact O-N 3.14Å; F97-R101 VanDerWaalsContact O-CB 3.31Å; F97-R101 WeakPolarHBondContact O-CB 3.13Å; F97-R101 VanDerWaalsContact O-CG 3.3Å; F97-R101 WeakPolarHBondContact O-CG 3.4Å; F97-R101 PolarHBondContact O-N 2.9Å; F97-R101 PolarHBondContact O-NE 2.8Å |
| 98 | A | 67.9 | Low | 71.5 | Confident | 51 Ų | 51 | 99.2 Ų | 99.2 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S94 F95 H102 | S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 3.36Å; F95-A98 PolarHBondContact O-N 2.76Å; A98-H102 WeakPolarHBondContact O-CB 3.49Å; A98-H102 PolarHBondContact O-N 3.27Å |
| 99 | R | 65.2 | Low | 70.7 | Confident | 157 Ų | 157 | 98.6 Ų | 98.6 | 59% | 0.592 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.6 | -39.6 | 179.5 | -167.3 | 79.4 | -179.2 | -176.7 | 3.2 | 111.8 | F95 | F95-R99 HydrophobicContact CD1-CB 4.45Å; F95-R99 HydrophobicContact CE1-CB 4.27Å; F95-R99 HydrophobicContact CE1-CG 4.34Å; F95-R99 WeakPolarHBondContact O-CB 3.06Å; F95-R99 PolarHBondContact O-N 2.79Å |
| 100 | R | 65.5 | Low | 70.2 | Confident | 147 Ų | 147 | 101.6 Ų | 101.6 | 56% | 0.555 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.5 | -33.9 | -179.2 | -167.6 | 68.9 | 177.8 | -179.7 | 2.5 | 112.8 | Y96 | Y96-R100 WeakPolarHBondContact O-CB 3.27Å; Y96-R100 PolarHBondContact O-N 3.07Å |
| 101 | R | 55.5 | Low | 69.6 | Low | 166 Ų | 166 | 97 Ų | 97 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.7 | -37.3 | 175.8 | -73.2 | -172 | -63.2 | 171.2 | -0.3 | 112.7 | F97 N103 H105 | F97-R101 VanDerWaalsContact O-CB 3.31Å; F97-R101 WeakPolarHBondContact O-CB 3.13Å; F97-R101 VanDerWaalsContact O-CG 3.3Å; F97-R101 WeakPolarHBondContact O-CG 3.4Å; F97-R101 PolarHBondContact O-N 2.9Å; F97-R101 PolarHBondContact O-NE 2.8Å; R101-N103 PolarHBondContact O-N 2.79Å; R101-H105 PolarHBondContact O-N 2.84Å |
| 102 | H | 55.2 | Low | 68.6 | Low | 114 Ų | 114 | 92.8 Ų | 92.8 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | -174 | -164.3 | 65.8 | 0 | 0 | 0 | 113.5 | A98 N106 | A98-H102 WeakPolarHBondContact O-CB 3.49Å; A98-H102 PolarHBondContact O-N 3.27Å; H102-N106 PolarHBondContact CD2-ND2 3.28Å; H102-N106 PolarHBondContact CE1-ND2 3.06Å; H102-N106 PolarHBondContact NE2-ND2 2.85Å; H102-N106 VanDerWaalsContact NE2-ND2 3.12Å; H102-N106 PolarHBondContact O-N 2.8Å; H102-N106 PolarHBondContact O-ND2 3.14Å; H102-N106 PolarHBondContact O-OD1 3.31Å |
| 103 | N | 57.5 | Low | 68 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.6 | -31.9 | -175.5 | -73.4 | 9.9 | 0 | 0 | 0 | 113.6 | R101 Q107 | R101-N103 PolarHBondContact O-N 2.79Å; N103-Q107 WeakPolarHBondContact O-CG 3.42Å; N103-Q107 PolarHBondContact O-N 3.49Å |
| 104 | C | 62.5 | Low | 67.6 | Low | 50 Ų | 50 | 97.5 Ų | 97.5 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.5 | -40.4 | -178.6 | -157.5 | 0 | 0 | 0 | 0 | 111.6 | L108 | C104-L108 PolarHBondContact O-N 2.99Å |
| 105 | H | 62.1 | Low | 66.7 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 178.9 | -167.3 | 73.7 | 0 | 0 | 0 | 111.4 | R101 Q107 L108 V109 | R101-H105 PolarHBondContact O-N 2.84Å; H105-Q107 PolarHBondContact O-N 3.19Å; H105-L108 PolarHBondContact O-N 2.85Å; H105-V109 VanDerWaalsContact O-CG2 3.31Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 3.41Å |
| 106 | N | 66.1 | Low | 66.4 | Low | 67 Ų | 67 | 99.6 Ų | 99.6 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | -177.9 | -64.8 | -8.6 | 0 | 0 | 0 | 112.8 | H102 T110 | H102-N106 PolarHBondContact CD2-ND2 3.28Å; H102-N106 PolarHBondContact CE1-ND2 3.06Å; H102-N106 PolarHBondContact NE2-ND2 2.85Å; H102-N106 VanDerWaalsContact NE2-ND2 3.12Å; H102-N106 PolarHBondContact O-N 2.8Å; H102-N106 PolarHBondContact O-ND2 3.14Å; H102-N106 PolarHBondContact O-OD1 3.31Å; N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 VanDerWaalsContact O-CG2 3.25Å; N106-T110 WeakPolarHBondContact O-CG2 3.4Å; N106-T110 PolarHBondContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.15Å |
| 107 | Q | 65.7 | Low | 66.4 | Low | 134 Ų | 134 | 100.2 Ų | 100.2 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 178.5 | -73.8 | -177.6 | -10.5 | 0 | 0 | 112.2 | N103 H105 T110 L111 | N103-Q107 WeakPolarHBondContact O-CG 3.42Å; N103-Q107 PolarHBondContact O-N 3.49Å; H105-Q107 PolarHBondContact O-N 3.19Å; Q107-T110 PolarHBondContact O-OG1 3.21Å; Q107-T110 VanDerWaalsContact O-OG1 3.07Å; Q107-L111 WeakPolarHBondContact O-CG 3.37Å; Q107-L111 PolarHBondContact O-N 3.28Å |
| 108 | L | 66.1 | Low | 66.7 | Low | 47 Ų | 47 | 103 Ų | 103 | 25% | 0.246 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 175.8 | -91.6 | 155.5 | 0 | 0 | 0 | 112.1 | L27 C104 H105 T110 L111 K112 | L27-L108 HydrophobicContact CD1-CD1 4.12Å; L27-L108 HydrophobicContact CD1-CD2 4.27Å; L27-L108 HydrophobicContact CD2-CD1 3.41Å; L27-L108 VanDerWaalsContact CD2-CD1 3.41Å; L27-L108 HydrophobicContact CG-CD1 4.24Å; C104-L108 PolarHBondContact O-N 2.99Å; H105-L108 PolarHBondContact O-N 2.85Å; L108-T110 PolarHBondContact O-N 3.48Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-K112 WeakPolarHBondContact O-CB 3.42Å; L108-K112 WeakPolarHBondContact O-CD 3.14Å; L108-K112 WeakPolarHBondContact O-CG 3.27Å; L108-K112 PolarHBondContact O-N 3.34Å |
| 109 | V | 70.7 | Confident | 66.9 | Low | 57 Ų | 57 | 104.3 Ų | 104.3 | 35% | 0.345 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | H105 K112 Q113 | H105-V109 VanDerWaalsContact O-CG2 3.31Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 3.41Å; V109-K112 WeakPolarHBondContact O-CB 3.33Å; V109-K112 PolarHBondContact O-N 3.25Å; V109-Q113 WeakPolarHBondContact O-CB 2.84Å; V109-Q113 PolarHBondContact O-N 3.45Å |
| 110 | T | 75.1 | Confident | 67.2 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | N106 Q107 L108 K112 Q113 Q114 | N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 VanDerWaalsContact O-CG2 3.25Å; N106-T110 WeakPolarHBondContact O-CG2 3.4Å; N106-T110 PolarHBondContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.15Å; Q107-T110 PolarHBondContact O-OG1 3.21Å; Q107-T110 VanDerWaalsContact O-OG1 3.07Å; L108-T110 PolarHBondContact O-N 3.48Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.32Å; T110-Q113 PolarHBondContact O-N 3.29Å; T110-Q114 WeakPolarHBondContact O-CB 3.42Å; T110-Q114 PolarHBondContact O-N 3.27Å |
| 111 | L | 73.1 | Confident | 67.9 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 174.4 | -70 | 175.4 | 0 | 0 | 0 | 112.1 | Q107 L108 R115 | Q107-L111 WeakPolarHBondContact O-CG 3.37Å; Q107-L111 PolarHBondContact O-N 3.28Å; L108-L111 PolarHBondContact O-N 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.23Å; L111-R115 PolarHBondContact O-N 3.42Å |
| 112 | K | 65.2 | Low | 68.9 | Low | 66 Ų | 66 | 94.2 Ų | 94.2 | 29% | 0.287 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 173.5 | -75.4 | 171.9 | -177.1 | -167.8 | 0 | 111.5 | L27 L108 V109 T110 R115 L116 | L27-K112 VanDerWaalsContact CD1-NZ 3.33Å; L108-K112 WeakPolarHBondContact O-CB 3.42Å; L108-K112 WeakPolarHBondContact O-CD 3.14Å; L108-K112 WeakPolarHBondContact O-CG 3.27Å; L108-K112 PolarHBondContact O-N 3.34Å; V109-K112 WeakPolarHBondContact O-CB 3.33Å; V109-K112 PolarHBondContact O-N 3.25Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.32Å; K112-R115 PolarHBondContact O-N 2.75Å; K112-L116 WeakPolarHBondContact O-CG 3.07Å; K112-L116 PolarHBondContact O-N 3.48Å |
| 113 | Q | 71.4 | Confident | 69.4 | Low | 128 Ų | 128 | 95 Ų | 95 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | -178 | -169.1 | 155 | -11.1 | 0 | 0 | 112.1 | V109 T110 R115 L116 Q117 | V109-Q113 WeakPolarHBondContact O-CB 2.84Å; V109-Q113 PolarHBondContact O-N 3.45Å; T110-Q113 PolarHBondContact O-N 3.29Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.85Å; Q113-L116 PolarHBondContact O-N 2.89Å; Q113-Q117 WeakPolarHBondContact O-CB 3.21Å; Q113-Q117 PolarHBondContact O-N 3.48Å |
| 114 | Q | 74.1 | Confident | 70.1 | Confident | 125 Ų | 125 | 96.3 Ų | 96.3 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 176.1 | -163.2 | 174.1 | 3.1 | 0 | 0 | 111.7 | T110 V118 | T110-Q114 WeakPolarHBondContact O-CB 3.42Å; T110-Q114 PolarHBondContact O-N 3.27Å; Q114-V118 WeakPolarHBondContact O-CG2 3.04Å; Q114-V118 PolarHBondContact O-N 3.07Å |
| 115 | R | 60.8 | Low | 70.9 | Confident | 139 Ų | 139 | 97.9 Ų | 97.9 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 173.6 | -73.8 | 179.6 | -180 | 169.4 | 3.9 | 112.8 | E23 L111 K112 Q113 Q117 V118 L119 | E23-R115 IonicContact OE1-NH1 3.01Å; E23-R115 PolarHBondContact OE1-NH1 3.43Å; L111-R115 WeakPolarHBondContact O-CG 3.23Å; L111-R115 PolarHBondContact O-N 3.42Å; K112-R115 PolarHBondContact O-N 2.75Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.85Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-V118 PolarHBondContact O-N 3.5Å; R115-L119 WeakPolarHBondContact O-CB 3.35Å; R115-L119 PolarHBondContact O-N 2.93Å |
| 116 | L | 71.7 | Confident | 71.2 | Confident | 102 Ų | 102 | 95.5 Ų | 95.5 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 175.6 | -73.3 | 174.8 | 0 | 0 | 0 | 112.1 | K112 Q113 L119 N120 | K112-L116 WeakPolarHBondContact O-CG 3.07Å; K112-L116 PolarHBondContact O-N 3.48Å; Q113-L116 PolarHBondContact O-N 2.89Å; L116-L119 PolarHBondContact O-N 3.28Å; L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.36Å; L116-N120 PolarHBondContact O-N 3.28Å |
| 117 | Q | 76.5 | Confident | 71.7 | Confident | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.603 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -49.6 | 176.6 | -175.4 | 176.8 | -3.9 | 0 | 0 | 111.1 | Q113 R115 L119 N120 E121 | Q113-Q117 WeakPolarHBondContact O-CB 3.21Å; Q113-Q117 PolarHBondContact O-N 3.48Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; Q117-L119 VanDerWaalsContact C-N 3.29Å; Q117-L119 PolarHBondContact O-N 3.03Å; Q117-N120 PolarHBondContact O-N 3.18Å; Q117-E121 VanDerWaalsContact O-CB 3.3Å; Q117-E121 WeakPolarHBondContact O-CB 3.2Å; Q117-E121 PolarHBondContact O-N 3.33Å |
| 118 | V | 73.6 | Confident | 71.9 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.527 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | Q114 R115 V122 | Q114-V118 WeakPolarHBondContact O-CG2 3.04Å; Q114-V118 PolarHBondContact O-N 3.07Å; R115-V118 PolarHBondContact O-N 3.5Å; V118-V122 WeakPolarHBondContact O-CG2 3.18Å; V118-V122 PolarHBondContact O-N 2.91Å; V118-V122 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 72.1 | Confident | 72.2 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 176.2 | 179.1 | 63.5 | 0 | 0 | 0 | 112.5 | V16 R115 L116 Q117 V122 K123 | V16-L119 HydrophobicContact CG1-CD2 4.36Å; R115-L119 WeakPolarHBondContact O-CB 3.35Å; R115-L119 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 3.28Å; Q117-L119 VanDerWaalsContact C-N 3.29Å; Q117-L119 PolarHBondContact O-N 3.03Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-K123 WeakPolarHBondContact O-CB 3.05Å; L119-K123 PolarHBondContact O-N 3.4Å |
| 120 | N | 71.4 | Confident | 72.4 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | -179 | -160.2 | 42.6 | 0 | 0 | 0 | 111.2 | L116 Q117 V122 K123 E124 | L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.36Å; L116-N120 PolarHBondContact O-N 3.28Å; Q117-N120 PolarHBondContact O-N 3.18Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.48Å; N120-K123 PolarHBondContact O-N 3.39Å; N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 WeakPolarHBondContact O-CB 3.29Å; N120-E124 WeakPolarHBondContact O-CG 3.43Å; N120-E124 PolarHBondContact O-N 2.94Å |
| 121 | E | 79.2 | Confident | 72.5 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 172 | -178.5 | 177.1 | 175.9 | 0 | 0 | 111.4 | Q117 N125 | Q117-E121 VanDerWaalsContact O-CB 3.3Å; Q117-E121 WeakPolarHBondContact O-CB 3.2Å; Q117-E121 PolarHBondContact O-N 3.33Å; E121-N125 VanDerWaalsContact O-CB 3.23Å; E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.21Å; E121-N125 PolarHBondContact O-ND2 2.83Å |
| 122 | V | 77.4 | Confident | 72.8 | Confident | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | V118 L119 N120 N125 E126 | V118-V122 WeakPolarHBondContact O-CG2 3.18Å; V118-V122 PolarHBondContact O-N 2.91Å; V118-V122 VanDerWaalsContact O-N 3.12Å; L119-V122 PolarHBondContact O-N 2.97Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.48Å; V122-N125 PolarHBondContact O-N 2.88Å; V122-E126 HydrophobicContact CG1-CG 4.48Å; V122-E126 WeakPolarHBondContact O-CB 2.96Å; V122-E126 WeakPolarHBondContact O-CG 2.97Å; V122-E126 PolarHBondContact O-N 2.81Å |
| 123 | K | 65.2 | Low | 73.7 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 178.8 | -174.7 | -176.8 | 177.4 | -174.3 | 0 | 112.8 | L119 N120 E126 T127 | L119-K123 WeakPolarHBondContact O-CB 3.05Å; L119-K123 PolarHBondContact O-N 3.4Å; N120-K123 PolarHBondContact O-N 3.39Å; K123-E126 PolarHBondContact O-N 3.46Å; K123-T127 VanDerWaalsContact O-CB 3.27Å; K123-T127 WeakPolarHBondContact O-CB 3.09Å; K123-T127 PolarHBondContact O-N 2.9Å; K123-T127 PolarHBondContact O-OG1 3.31Å |
| 124 | E | 71.9 | Confident | 74.1 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -41.7 | 178 | -75.6 | 177.7 | -170.4 | 0 | 0 | 110.7 | N120 E126 T127 Y128 | N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 WeakPolarHBondContact O-CB 3.29Å; N120-E124 WeakPolarHBondContact O-CG 3.43Å; N120-E124 PolarHBondContact O-N 2.94Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.99Å; E124-T127 PolarHBondContact O-N 2.91Å; E124-Y128 WeakPolarHBondContact O-CB 3.4Å; E124-Y128 PolarHBondContact O-N 3.07Å |
| 125 | N | 79.3 | Confident | 74.4 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 173.1 | -76.8 | -44 | 0 | 0 | 0 | 111.9 | E121 V122 K129 | E121-N125 VanDerWaalsContact O-CB 3.23Å; E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.21Å; E121-N125 PolarHBondContact O-ND2 2.83Å; V122-N125 PolarHBondContact O-N 2.88Å; N125-K129 VanDerWaalsContact O-CB 3.31Å; N125-K129 WeakPolarHBondContact O-CB 3.2Å; N125-K129 WeakPolarHBondContact O-CG 2.98Å; N125-K129 PolarHBondContact O-N 3.48Å |
| 126 | E | 68.7 | Low | 75.3 | Confident | 77 Ų | 77 | 99.2 Ų | 99.2 | 36% | 0.36 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.7 | -39.2 | 174.7 | -75.4 | -171.3 | 170.1 | 0 | 0 | 112.7 | L9 V122 K123 E124 Y128 K129 V130 | L9-E126 WeakPolarHBondContact CD1-OE2 3.36Å; V122-E126 HydrophobicContact CG1-CG 4.48Å; V122-E126 WeakPolarHBondContact O-CB 2.96Å; V122-E126 WeakPolarHBondContact O-CG 2.97Å; V122-E126 PolarHBondContact O-N 2.81Å; K123-E126 PolarHBondContact O-N 3.46Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.99Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.37Å; E126-K129 CarbonylContact O-C 3.56Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-V130 VanDerWaalsContact O-CB 3.3Å; E126-V130 WeakPolarHBondContact O-CB 3.39Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.36Å |
| 127 | T | 76 | Confident | 75.7 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | K123 E124 V130 A131 | K123-T127 VanDerWaalsContact O-CB 3.27Å; K123-T127 WeakPolarHBondContact O-CB 3.09Å; K123-T127 PolarHBondContact O-N 2.9Å; K123-T127 PolarHBondContact O-OG1 3.31Å; E124-T127 PolarHBondContact O-N 2.91Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-A131 WeakPolarHBondContact O-CB 2.99Å; T127-A131 PolarHBondContact O-N 3.45Å |
| 128 | Y | 70.5 | Confident | 75.7 | Confident | 152 Ų | 152 | 100.9 Ų | 100.9 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 171.9 | -179.3 | -96.6 | 0 | 0 | 0 | 111.2 | E124 E126 A131 K132 | E124-Y128 WeakPolarHBondContact O-CB 3.4Å; E124-Y128 PolarHBondContact O-N 3.07Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.37Å; Y128-A131 PolarHBondContact O-N 2.82Å; Y128-K132 HydrophobicContact CE1-CD 4.1Å; Y128-K132 WeakPolarHBondContact O-CB 3.3Å; Y128-K132 PolarHBondContact O-N 3.34Å |
| 129 | K | 72 | Confident | 75.8 | Confident | 145 Ų | 145 | 101.8 Ų | 101.8 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 175.1 | -80.3 | 173.5 | -177.5 | 178 | 0 | 112.3 | N125 E126 E133 | N125-K129 VanDerWaalsContact O-CB 3.31Å; N125-K129 WeakPolarHBondContact O-CB 3.2Å; N125-K129 WeakPolarHBondContact O-CG 2.98Å; N125-K129 PolarHBondContact O-N 3.48Å; E126-K129 CarbonylContact O-C 3.56Å; E126-K129 PolarHBondContact O-N 3.42Å; K129-E133 VanDerWaalsContact O-CB 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.45Å; K129-E133 PolarHBondContact O-N 3.31Å |
| 130 | V | 74.5 | Confident | 75.8 | Confident | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 178.4 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | E126 T127 E133 L134 | E126-V130 VanDerWaalsContact O-CB 3.3Å; E126-V130 WeakPolarHBondContact O-CB 3.39Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.36Å; T127-V130 PolarHBondContact O-N 2.83Å; V130-E133 PolarHBondContact O-N 3.01Å; V130-L134 WeakPolarHBondContact O-CB 2.99Å; V130-L134 PolarHBondContact O-N 2.98Å |
| 131 | A | 79 | Confident | 75.4 | Confident | 55 Ų | 55 | 103.6 Ų | 103.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | T127 Y128 L134 L135 | T127-A131 WeakPolarHBondContact O-CB 2.99Å; T127-A131 PolarHBondContact O-N 3.45Å; Y128-A131 PolarHBondContact O-N 2.82Å; A131-L134 PolarHBondContact O-N 3.08Å; A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 3.03Å |
| 132 | K | 78.8 | Confident | 74 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 45% | 0.452 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 174.6 | -175.2 | 173.5 | -178 | 176.4 | 0 | 111.5 | Y128 L134 L135 D136 | Y128-K132 HydrophobicContact CE1-CD 4.1Å; Y128-K132 WeakPolarHBondContact O-CB 3.3Å; Y128-K132 PolarHBondContact O-N 3.34Å; K132-L134 VanDerWaalsContact C-N 3.27Å; K132-L134 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 3.13Å; K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.32Å; K132-D136 PolarHBondContact O-N 3.42Å |
| 133 | E | 84.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.4 | -172.5 | -173.8 | 166.3 | 0 | 0 | 111 | K129 V130 R137 | K129-E133 VanDerWaalsContact O-CB 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.45Å; K129-E133 PolarHBondContact O-N 3.31Å; V130-E133 PolarHBondContact O-N 3.01Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.05Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 3.31Å; E133-R137 VanDerWaalsContact OE1-CZ 3.31Å; E133-R137 IonicContact OE1-NE 2.94Å; E133-R137 PolarHBondContact OE1-NE 2.7Å; E133-R137 IonicContact OE1-NH2 2.78Å; E133-R137 PolarHBondContact OE1-NH2 3.03Å |
| 134 | L | 80.2 | Confident | 71.4 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 176.4 | -146.2 | 73.2 | 0 | 0 | 0 | 111 | V130 A131 K132 R137 F138 | V130-L134 WeakPolarHBondContact O-CB 2.99Å; V130-L134 PolarHBondContact O-N 2.98Å; A131-L134 PolarHBondContact O-N 3.08Å; K132-L134 VanDerWaalsContact C-N 3.27Å; K132-L134 PolarHBondContact O-N 3.49Å; L134-R137 PolarHBondContact O-N 3.16Å; L134-F138 HydrophobicContact CD2-CE2 4.42Å; L134-F138 HydrophobicContact CG-CD2 4.07Å; L134-F138 HydrophobicContact CG-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CB 3.32Å; L134-F138 VanDerWaalsContact O-CD2 3.3Å; L134-F138 WeakPolarHBondContact O-CD2 3.38Å; L134-F138 PolarHBondContact O-N 3.33Å |
| 135 | L | 78.9 | Confident | 70.2 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 55% | 0.55 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -47.3 | 176.2 | -171.8 | 66.9 | 0 | 0 | 0 | 111.2 | A131 K132 R137 F138 D139 | A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 3.03Å; K132-L135 PolarHBondContact O-N 3.13Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.2Å; L135-F138 CarbonylContact O-C 3.57Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-F138 VanDerWaalsContact O-N 3.13Å; L135-D139 PolarHBondContact O-N 3.46Å |
| 136 | D | 79.5 | Confident | 68.3 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -40 | 177 | -72.4 | -18.6 | 0 | 0 | 0 | 111.3 | K132 A140 | K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.32Å; K132-D136 PolarHBondContact O-N 3.42Å; D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.39Å |
| 137 | R | 79.8 | Confident | 67 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.1 | -40.2 | 173.8 | -77.4 | 179.2 | -174.8 | -93.7 | -0.6 | 111.7 | E133 L134 L135 A140 T141 | E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.05Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 3.31Å; E133-R137 VanDerWaalsContact OE1-CZ 3.31Å; E133-R137 IonicContact OE1-NE 2.94Å; E133-R137 PolarHBondContact OE1-NE 2.7Å; E133-R137 IonicContact OE1-NH2 2.78Å; E133-R137 PolarHBondContact OE1-NH2 3.03Å; L134-R137 PolarHBondContact O-N 3.16Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.2Å; R137-A140 PolarHBondContact O-N 2.94Å; R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.42Å; R137-T141 PolarHBondContact O-OG1 2.95Å |
| 138 | F | 78 | Confident | 65.4 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 52% | 0.522 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.9 | -38.9 | 177.5 | -95.6 | -86.5 | 0 | 0 | 0 | 111.5 | L134 L135 T141 N142 | L134-F138 HydrophobicContact CD2-CE2 4.42Å; L134-F138 HydrophobicContact CG-CD2 4.07Å; L134-F138 HydrophobicContact CG-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CB 3.32Å; L134-F138 VanDerWaalsContact O-CD2 3.3Å; L134-F138 WeakPolarHBondContact O-CD2 3.38Å; L134-F138 PolarHBondContact O-N 3.33Å; L135-F138 CarbonylContact O-C 3.57Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-F138 VanDerWaalsContact O-N 3.13Å; F138-T141 PolarHBondContact O-N 2.81Å; F138-N142 WeakPolarHBondContact O-CA 3.28Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 2.89Å |
| 139 | D | 75.2 | Confident | 63.8 | Low | 106 Ų | 106 | 122.9 Ų | 122.9 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72 | -33.7 | 174.5 | -79.8 | -19.8 | 0 | 0 | 0 | 112.1 | L135 G143 | L135-D139 PolarHBondContact O-N 3.46Å; D139-G143 WeakPolarHBondContact O-CA 3.34Å; D139-G143 PolarHBondContact O-N 2.93Å |
| 140 | A | 71.7 | Confident | 62.2 | Low | 81 Ų | 81 | 120.8 Ų | 120.8 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.7 | -35.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D136 R137 | D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.39Å; R137-A140 PolarHBondContact O-N 2.94Å |
| 141 | T | 63.6 | Low | 60.3 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -84.3 | -38.1 | -177.8 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | R137 F138 | R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.42Å; R137-T141 PolarHBondContact O-OG1 2.95Å; F138-T141 PolarHBondContact O-N 2.81Å |
| 142 | N | 50 | Low | 58.1 | Low | 118 Ų | 118 | 124.4 Ų | 124.4 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -93.4 | -1.1 | 175.1 | -72.4 | -9.1 | 0 | 0 | 0 | 113.3 | F138 R144 | F138-N142 WeakPolarHBondContact O-CA 3.28Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 2.89Å; N142-R144 PolarHBondContact O-N 3.36Å |
| 143 | G | 44.9 | Very low | 56.6 | Low | 50 Ų | 50 | 124.6 Ų | 124.6 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | trans | -73.9 | 50.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D139 | D139-G143 WeakPolarHBondContact O-CA 3.34Å; D139-G143 PolarHBondContact O-N 2.93Å | ||
| 144 | R | 42.6 | Very low | 54.3 | Low | 223 Ų | 223 | 127.6 Ų | 127.6 | 84% | 0.842 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -55.7 | 136.9 | 140.6 | -100 | -178.4 | 174 | -164.1 | -1.6 | 106.8 | N142 R146 | N142-R144 PolarHBondContact O-N 3.36Å; R144-R146 PolarHBondContact O-N 3.25Å |
| 145 | P | 46.7 | Very low | 52.1 | Low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -66 | 107.1 | -160.5 | 26.5 | -33.1 | 0 | 0 | 0 | 109.9 | A147 | P145-A147 VanDerWaalsContact C-N 3.32Å; P145-A147 PolarHBondContact O-N 3.1Å | ||
| 146 | R | 40.1 | Very low | 50 | Low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 73% | 0.725 | S | S | * | * | trans | -73.3 | 96.3 | 166.7 | -166.9 | 171.9 | -177.6 | 176.7 | -0.1 | 107.8 | R144 | R144-R146 PolarHBondContact O-N 3.25Š| ||
| 147 | A | 41.3 | Very low | 47.8 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | 54.7 | 80.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P145 | P145-A147 VanDerWaalsContact C-N 3.32Å; P145-A147 PolarHBondContact O-N 3.1Å | ||
| 148 | R | 41.7 | Very low | 45.8 | Very low | 237 Ų | 237 | 133.4 Ų | 133.4 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | trans | -113.6 | 81.5 | 140.4 | -139.9 | -175.8 | -74.1 | 171.7 | -2.9 | 107.8 | ||||
| 149 | N | 37.1 | Very low | 43.8 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | 35.4 | 89.7 | 151.5 | -52.6 | -11.3 | 0 | 0 | 0 | 116.4 | ||||
| 150 | A | 38.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -149.4 | 119.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 151 | T | 34.3 | Very low | 40.2 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -49.8 | 139.2 | 178.7 | -46.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 152 | G | 33 | Very low | 38.7 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 161.1 | 121.8 | 162 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 153 | P | 47.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -95.2 | 172.7 | -174.4 | 39.5 | -33.7 | 0 | 0 | 0 | 113.5 | ||||
| 154 | D | 34.7 | Very low | 37.9 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 94.1 | 127.3 | 160.5 | -44.1 | -32.5 | 0 | 0 | 0 | 118.8 | ||||
| 155 | G | 35 | Very low | 37.8 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 120.6 | 79.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 156 | E | 35.6 | Very low | 37.3 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 42.5 | 119.4 | 128.8 | -57.6 | -171.2 | 122.3 | 0 | 0 | 124.8 | |||||
| 157 | T | 32.4 | Very low | 37.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 67.1 | 146 | 118.2 | -36.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 158 | F | 38.4 | Very low | 37.5 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | 94.5 | 114.1 | 166.7 | -113 | -93.7 | 0 | 0 | 0 | 117 | ||||
| 159 | V | 35.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | cis | 86.4 | 108.7 | 39.9 | -177 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 160 | D | 30.5 | Very low | 38.5 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 78.8 | 146.5 | 143.6 | -151.5 | 24.1 | 0 | 0 | 0 | 123.7 | ||||
| 161 | Q | 40.4 | Very low | 38.3 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 122.3 | 126.4 | 148.4 | -59.4 | -172.1 | 5 | 0 | 0 | 120.6 | ||||
| 162 | T | 33.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 144 Ų | 144 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -102.4 | 148.1 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 163 | P | 43.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -145.8 | 133.7 | 143.6 | 33.2 | -14.3 | 0 | 0 | 0 | 117.8 | ||||
| 164 | T | 33.1 | Very low | 39.2 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | 15.6 | 136.9 | 128.7 | -31.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 165 | Q | 40.5 | Very low | 39.3 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 152.1 | 143.3 | 114.7 | -79.1 | -162.7 | 36.1 | 0 | 0 | 116.8 | |||||
| 166 | T | 37 | Very low | 39.4 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -107.2 | 141.9 | -167.8 | -13.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 167 | P | 49.1 | Very low | 39.4 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -100.3 | 162.7 | -178.4 | -5 | 26.3 | 0 | 0 | 0 | 118 | ||||
| 168 | R | 36.4 | Very low | 39.9 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -121.6 | 149.7 | -163.3 | -178.3 | -169.4 | -171.8 | -168.9 | 4.8 | 111.1 | ||||
| 169 | R | 58.4 | Low | 39.8 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -170.9 | 114.1 | 159.6 | -155.7 | 169.5 | -179.8 | 150.3 | -0.4 | 110.9 | ||||
| 170 | N | 40.7 | Very low | 39.9 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | 80.7 | 127.7 | 74.1 | -84.1 | 26.8 | 0 | 0 | 0 | 117.2 | |||||
| 171 | V | 36.1 | Very low | 40 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -72.5 | 170.9 | -175.3 | -78.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 172 | P | 43.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -141.5 | 162.4 | 123.5 | 37.8 | -23.6 | 0 | 0 | 0 | 116 | |||||
| 173 | P | 47.3 | Very low | 40.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -114 | 161.3 | -178.1 | 40.6 | -29.4 | 0 | 0 | 0 | 114.8 | ||||
| 174 | S | 40.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -179.4 | 108.7 | 148.4 | -150.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 175 | V | 38.2 | Very low | 40.3 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | 68.8 | 115.9 | 86.6 | -179.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 176 | G | 36.7 | Very low | 40.2 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 171.6 | 96 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 177 | T | 35.3 | Very low | 40.1 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -88.2 | 172.8 | 168.8 | -15.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 178 | P | 42.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | cis | -146.7 | 173.8 | 19.1 | 39.9 | -16.4 | 0 | 0 | 0 | 119 | ||||
| 179 | S | 36.7 | Very low | 39.5 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | 55 | 114.1 | 139.2 | 58.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 180 | D | 39.2 | Very low | 38.8 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | -171.6 | 151.6 | 97.4 | -110.9 | -32.2 | 0 | 0 | 0 | 111.7 | |||||
| 181 | E | 31.8 | Very low | 38.5 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -101.1 | -159.6 | -161.9 | -153.5 | -176.6 | 100.7 | 0 | 0 | 112.6 | ||||
| 182 | P | 49.8 | Very low | 38.6 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | -108.2 | 160.1 | -102.2 | 35.7 | -21.3 | 0 | 0 | 0 | 115.4 | |||||
| 183 | R | 39.5 | Very low | 38.5 | Very low | 245 Ų | 245 | 134.5 Ų | 134.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -157.4 | 113.6 | 140 | -150.6 | 164.2 | 177.7 | 164.3 | -1.9 | 113.4 | ||||
| 184 | K | 31.6 | Very low | 38.4 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 134.8 | 158.3 | -69.6 | 173.7 | 175.5 | 174.6 | 0 | 108.9 | ||||
| 185 | G | 35.5 | Very low | 38.7 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 175.8 | 91.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 186 | A | 38.2 | Very low | 39.3 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 18.5 | 116.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | G188 | A186-G188 PolarHBondContact O-N 2.74Š| ||
| 187 | F | 35 | Very low | 39.8 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 97% | 0.965 | 78% | 0.78 | S | S | * | * | trans | -7.6 | 85.4 | 151.2 | -67.5 | -90.3 | 0 | 0 | 0 | 115 | E189 | F187-E189 PolarHBondContact O-N 3.48Š| ||
| 188 | G | 37.6 | Very low | 40.3 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 93.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A186 I190 | A186-G188 PolarHBondContact O-N 2.74Å; G188-I190 PolarHBondContact O-N 3.36Å | ||
| 189 | E | 35.8 | Very low | 40.4 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 3.2 | 102.7 | 142 | -152.1 | 158 | 130.5 | 0 | 0 | 116.1 | F187 Q191 | F187-E189 PolarHBondContact O-N 3.48Å; E189-Q191 HydrophobicContact CG-CG 4.17Å; E189-Q191 PolarHBondContact OE1-NE2 2.92Å | ||
| 190 | I | 43.3 | Very low | 40.9 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -99.1 | 96.8 | 156 | -59 | 177.5 | 0 | 0 | 0 | 106.3 | G188 | G188-I190 PolarHBondContact O-N 3.36Š| ||
| 191 | Q | 33.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 156.3 | 163.4 | -87.4 | 175.6 | 30.8 | 0 | 0 | 111.3 | E189 | E189-Q191 HydrophobicContact CG-CG 4.17Å; E189-Q191 PolarHBondContact OE1-NE2 2.92Å | ||
| 192 | A | 39.8 | Very low | 42.5 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 84.6 | 119.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 193 | T | 40.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -157.9 | 158.1 | 24.9 | 42.3 | 0 | 0 | 0 | 0 | 110.1 | I195 | T193-I195 PolarHBondContact O-N 3.45Š| ||
| 194 | P | 45.8 | Very low | 42.6 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -71.5 | 112.2 | -175.4 | 27.5 | -33.6 | 0 | 0 | 0 | 112.2 | T196 | P194-T196 PolarHBondContact O-N 3.32Å; P194-T196 VanDerWaalsContact O-N 3.1Å | ||
| 195 | I | 46.7 | Very low | 43.6 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 104.4 | 165.8 | -58.2 | 175.4 | 0 | 0 | 0 | 106.8 | T193 | T193-I195 PolarHBondContact O-N 3.45Š| ||
| 196 | T | 52.1 | Low | 45.3 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -56.3 | 123.5 | 164.1 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | P194 R198 | P194-T196 PolarHBondContact O-N 3.32Å; P194-T196 VanDerWaalsContact O-N 3.1Å; T196-R198 PolarHBondContact O-N 2.84Å | ||
| 197 | P | 46.4 | Very low | 46.9 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 111.5 | 179.9 | 25.3 | -31.7 | 0 | 0 | 0 | 107.7 | P199 | P197-P199 VanDerWaalsContact O-CD 3.26Å; P197-P199 WeakPolarHBondContact O-CD 3.37Å | ||
| 198 | R | 46 | Very low | 48 | Very low | 222 Ų | 222 | 131.3 Ų | 131.3 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -62.9 | 120.3 | 169.1 | -71 | -175 | 177.3 | -176.7 | -0.5 | 107.4 | T196 I200 | T196-R198 PolarHBondContact O-N 2.84Å; R198-I200 PolarHBondContact O-N 2.85Å | ||
| 199 | P | 43.3 | Very low | 49.5 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -65.4 | 99.6 | 170 | 26.5 | -31.5 | 0 | 0 | 0 | 107.8 | P197 L201 | P197-P199 VanDerWaalsContact O-CD 3.26Å; P197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-L201 PolarHBondContact O-N 3.35Å | ||
| 200 | I | 48.9 | Very low | 51.3 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 65% | 0.651 | 69% | 0.685 | S | S | * | * | trans | -59.7 | 108.8 | 168.1 | 47.9 | 108.4 | 0 | 0 | 0 | 107.8 | R198 R205 | R198-I200 PolarHBondContact O-N 2.85Å; I200-R205 VanDerWaalsContact CD1-NH2 3.28Å | ||
| 201 | L | 48.5 | Very low | 52.5 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | trans | -42 | 121.3 | -175.4 | -66.9 | 159.7 | 0 | 0 | 0 | 111.5 | P199 F203 | P199-L201 PolarHBondContact O-N 3.35Å; L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 2.81Å | ||
| 202 | P | 54.5 | Low | 54.2 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | trans | -81.3 | 82.1 | 169 | 32.4 | -30.8 | 0 | 0 | 0 | 108.4 | ||||
| 203 | F | 46.3 | Very low | 55.8 | Low | 176 Ų | 176 | 127.8 Ų | 127.8 | 77% | 0.772 | 64% | 0.642 | S | S | * | * | trans | -125.5 | 94.7 | 165 | -163.9 | -105.3 | 0 | 0 | 0 | 109.5 | L201 | L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 2.81Å | ||
| 204 | Q | 45.4 | Very low | 57.5 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | trans | 63.4 | 61.4 | 150.6 | -147.9 | -176.1 | 7.6 | 0 | 0 | 117.6 | S206 | Q204-S206 PolarHBondContact O-N 3.26Š| ||
| 205 | R | 53.6 | Low | 58.7 | Low | 141 Ų | 141 | 124.5 Ų | 124.5 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | trans | -59.1 | 119.4 | 164.4 | -51.2 | -177.4 | -155.6 | -75.5 | -4.5 | 109.6 | I200 E209 | I200-R205 VanDerWaalsContact CD1-NH2 3.28Å; R205-E209 WeakPolarHBondContact CA-OE2 3.38Å; R205-E209 VanDerWaalsContact CB-OE2 3.23Å; R205-E209 WeakPolarHBondContact CB-OE2 3.11Å | ||
| 206 | S | 70.8 | Confident | 59.4 | Low | 59 Ų | 59 | 122.9 Ų | 122.9 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | trans | -56.7 | 144.5 | 177.5 | -26 | 0 | 0 | 0 | 0 | 109.5 | Q204 W208 E209 R210 | Q204-S206 PolarHBondContact O-N 3.26Å; S206-W208 PolarHBondContact O-N 3.48Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 2.99Å; S206-R210 PolarHBondContact O-N 2.96Å | ||
| 207 | W | 72.3 | Confident | 59.9 | Low | 150 Ų | 150 | 127.5 Ų | 127.5 | 57% | 0.568 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.5 | -25.8 | 175.9 | 68.5 | -87.6 | 0 | 0 | 0 | 112.5 | R210 L211 | W207-R210 WeakPolarHBondContact O-CB 3.39Å; W207-R210 PolarHBondContact O-N 2.88Å; W207-L211 HydrophobicContact CE3-CD1 4.49Å; W207-L211 HydrophobicContact CZ3-CD1 4.06Å; W207-L211 WeakPolarHBondContact O-CB 3.37Å; W207-L211 PolarHBondContact O-N 3.33Å |
| 208 | W | 57.2 | Low | 60.4 | Low | 84 Ų | 84 | 128.2 Ų | 128.2 | 32% | 0.318 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -35.4 | 169.6 | -78.5 | 123.4 | 0 | 0 | 0 | 114.3 | E21 S206 R210 L211 M212 | E21-W208 HydrophobicContact CG-CZ2 4.22Å; E21-W208 VanDerWaalsContact OE1-CE2 3.27Å; E21-W208 WeakPolarHBondContact OE1-CZ2 3.28Å; E21-W208 PolarHBondContact OE1-NE1 3.34Å; E21-W208 WeakPolarHBondContact OE2-CZ2 3.18Å; S206-W208 PolarHBondContact O-N 3.48Å; W208-R210 VanDerWaalsContact C-N 3.34Å; W208-L211 HydrophobicContact CE3-CB 4.3Å; W208-L211 HydrophobicContact CE3-CD1 4.48Å; W208-L211 HydrophobicContact CE3-CD2 3.97Å; W208-L211 HydrophobicContact CE3-CG 4.48Å; W208-L211 HydrophobicContact CZ3-CD1 4.16Å; W208-L211 HydrophobicContact CZ3-CD2 3.78Å; W208-L211 HydrophobicContact CZ3-CG 4.45Å; W208-L211 PolarHBondContact O-N 2.99Å; W208-M212 HydrophobicContact CE3-CE 4.32Å; W208-M212 WeakPolarHBondContact O-CB 3.21Å; W208-M212 VanDerWaalsContact O-CG 3.27Å; W208-M212 WeakPolarHBondContact O-CG 3.32Å; W208-M212 PolarHBondContact O-N 3.3Å |
| 209 | E | 69.7 | Low | 60.8 | Low | 98 Ų | 98 | 118.8 Ų | 118.8 | 46% | 0.458 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.1 | -36.9 | 172.8 | -64 | 178.2 | 169.7 | 0 | 0 | 110.6 | R205 S206 L211 D213 | R205-E209 WeakPolarHBondContact CA-OE2 3.38Å; R205-E209 VanDerWaalsContact CB-OE2 3.23Å; R205-E209 WeakPolarHBondContact CB-OE2 3.11Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 2.99Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-D213 VanDerWaalsContact O-CB 3.27Å; E209-D213 WeakPolarHBondContact O-CB 3.32Å; E209-D213 PolarHBondContact O-N 3.47Å |
| 210 | R | 72.7 | Confident | 61.2 | Low | 183 Ų | 183 | 119.4 Ų | 119.4 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.6 | -40.1 | 171.1 | -77.6 | 179.8 | 167.3 | -178.7 | -3.2 | 111.8 | S206 W207 W208 V214 | S206-R210 PolarHBondContact O-N 2.96Å; W207-R210 WeakPolarHBondContact O-CB 3.39Å; W207-R210 PolarHBondContact O-N 2.88Å; W208-R210 VanDerWaalsContact C-N 3.34Å; R210-V214 WeakPolarHBondContact O-CB 3.3Å; R210-V214 WeakPolarHBondContact O-CG2 3.31Å; R210-V214 PolarHBondContact O-N 2.93Å |
| 211 | L | 68.1 | Low | 61.3 | Low | 64 Ų | 64 | 117.6 Ų | 117.6 | 34% | 0.335 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.4 | -41.7 | 178.4 | -171.7 | 145 | 0 | 0 | 0 | 110.9 | W207 W208 E209 D213 V214 V215 | W207-L211 HydrophobicContact CE3-CD1 4.49Å; W207-L211 HydrophobicContact CZ3-CD1 4.06Å; W207-L211 WeakPolarHBondContact O-CB 3.37Å; W207-L211 PolarHBondContact O-N 3.33Å; W208-L211 HydrophobicContact CE3-CB 4.3Å; W208-L211 HydrophobicContact CE3-CD1 4.48Å; W208-L211 HydrophobicContact CE3-CD2 3.97Å; W208-L211 HydrophobicContact CE3-CG 4.48Å; W208-L211 HydrophobicContact CZ3-CD1 4.16Å; W208-L211 HydrophobicContact CZ3-CD2 3.78Å; W208-L211 HydrophobicContact CZ3-CG 4.45Å; W208-L211 PolarHBondContact O-N 2.99Å; E209-L211 VanDerWaalsContact C-N 3.34Å; L211-D213 VanDerWaalsContact C-N 3.35Å; L211-V214 PolarHBondContact O-N 3.31Å; L211-V215 HydrophobicContact CD2-CG2 3.68Å; L211-V215 HydrophobicContact CG-CG2 4.15Å; L211-V215 WeakPolarHBondContact O-CB 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.05Å; L211-V215 PolarHBondContact O-N 3.33Å |
| 212 | M | 69.5 | Low | 61 | Low | 93 Ų | 93 | 120.1 Ų | 120.1 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -40.9 | 173.1 | -71.7 | -53.7 | 160.5 | 0 | 0 | 111 | W208 V214 V215 L216 | W208-M212 HydrophobicContact CE3-CE 4.32Å; W208-M212 WeakPolarHBondContact O-CB 3.21Å; W208-M212 VanDerWaalsContact O-CG 3.27Å; W208-M212 WeakPolarHBondContact O-CG 3.32Å; W208-M212 PolarHBondContact O-N 3.3Å; M212-V214 PolarHBondContact O-N 3.34Å; M212-V215 PolarHBondContact O-N 3.17Å; M212-L216 HydrophobicContact CB-CD1 4.27Å; M212-L216 WeakPolarHBondContact O-CA 3.12Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CD1 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.1Å |
| 213 | D | 73.1 | Confident | 60.9 | Low | 109 Ų | 109 | 125.1 Ų | 125.1 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62 | -42.8 | 171.9 | -89.1 | -10.1 | 0 | 0 | 0 | 111.2 | E209 L211 R217 | E209-D213 VanDerWaalsContact O-CB 3.27Å; E209-D213 WeakPolarHBondContact O-CB 3.32Å; E209-D213 PolarHBondContact O-N 3.47Å; L211-D213 VanDerWaalsContact C-N 3.35Å; D213-R217 WeakPolarHBondContact O-CA 3.42Å; D213-R217 WeakPolarHBondContact O-CB 3.46Å; D213-R217 PolarHBondContact O-N 3.23Å |
| 214 | V | 75.7 | Confident | 61.1 | Low | 86 Ų | 86 | 126.4 Ų | 126.4 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.3 | -44.3 | 177.8 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | R210 L211 M212 R217 D218 | R210-V214 WeakPolarHBondContact O-CB 3.3Å; R210-V214 WeakPolarHBondContact O-CG2 3.31Å; R210-V214 PolarHBondContact O-N 2.93Å; L211-V214 PolarHBondContact O-N 3.31Å; M212-V214 PolarHBondContact O-N 3.34Å; V214-R217 PolarHBondContact O-N 2.91Å; V214-D218 PolarHBondContact O-N 3.41Å |
| 215 | V | 72.7 | Confident | 61.3 | Low | 84 Ų | 84 | 130.3 Ų | 130.3 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.1 | -37.8 | -178.7 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | L211 M212 D218 G219 | L211-V215 HydrophobicContact CD2-CG2 3.68Å; L211-V215 HydrophobicContact CG-CG2 4.15Å; L211-V215 WeakPolarHBondContact O-CB 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.05Å; L211-V215 PolarHBondContact O-N 3.33Å; M212-V215 PolarHBondContact O-N 3.17Å; V215-D218 CarbonylContact O-C 3.59Å; V215-G219 PolarHBondContact O-N 3.47Å |
| 216 | L | 61.2 | Low | 61.2 | Low | 125 Ų | 125 | 131.5 Ų | 131.5 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.2 | -29.3 | 174.8 | -67.9 | 165.8 | 0 | 0 | 0 | 111.8 | M212 G219 | M212-L216 HydrophobicContact CB-CD1 4.27Å; M212-L216 WeakPolarHBondContact O-CA 3.12Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CD1 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.1Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.1Å |
| 217 | R | 62.1 | Low | 60.5 | Low | 211 Ų | 211 | 134 Ų | 134 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.6 | -30.6 | 172.9 | 179 | 171.4 | 143.9 | 167.5 | -4.7 | 112.3 | D213 V214 G219 | D213-R217 WeakPolarHBondContact O-CA 3.42Å; D213-R217 WeakPolarHBondContact O-CB 3.46Å; D213-R217 PolarHBondContact O-N 3.23Å; V214-R217 PolarHBondContact O-N 2.91Å; R217-G219 PolarHBondContact O-N 3.34Å |
| 218 | D | 56.1 | Low | 59.6 | Low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 18.6 | 165 | -85.4 | -13.4 | 0 | 0 | 0 | 112.9 | V214 V215 P220 | V214-D218 PolarHBondContact O-N 3.41Å; V215-D218 CarbonylContact O-C 3.59Å; D218-P220 WeakPolarHBondContact O-CD 3.43Å |
| 219 | G | 54.7 | Low | 59.3 | Low | 23 Ų | 23 | 142.2 Ų | 142.2 | 24% | 0.237 | 68% | 0.684 | C | S | . | * | trans | -57.8 | 118.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V215 L216 R217 S221 | V215-G219 PolarHBondContact O-N 3.47Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.1Å; R217-G219 PolarHBondContact O-N 3.34Å; G219-S221 PolarHBondContact O-N 2.89Å | ||
| 220 | P | 51.4 | Low | 58.7 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -66.3 | 20.2 | -171.3 | -23.9 | 34.5 | 0 | 0 | 0 | 118.2 | D218 Y222 | D218-P220 WeakPolarHBondContact O-CD 3.43Å; P220-Y222 PolarHBondContact O-N 3.34Å |
| 221 | S | 52.7 | Low | 57.6 | Low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -86.9 | -0.9 | -168.7 | 49.8 | 0 | 0 | 0 | 0 | 116.1 | G219 | G219-S221 PolarHBondContact O-N 2.89Š|
| 222 | Y | 42.5 | Very low | 56.7 | Low | 204 Ų | 204 | 142.6 Ų | 142.6 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -107.1 | 27 | -174.1 | -57.5 | -71.7 | 0 | 0 | 0 | 116.9 | P220 | P220-Y222 PolarHBondContact O-N 3.34Š|
| 223 | R | 52.1 | Low | 56 | Low | 224 Ų | 224 | 144.6 Ų | 144.6 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -106.1 | 0.2 | 178.9 | -70.6 | -164.5 | -178 | -96.2 | 0.6 | 117.9 | ||
| 224 | F | 49.1 | Very low | 54.5 | Low | 203 Ų | 203 | 148.3 Ų | 148.3 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -128.9 | 16.7 | -174.5 | -62.9 | -66.8 | 0 | 0 | 0 | 118 | ||
| 225 | R | 49.8 | Very low | 53.2 | Low | 241 Ų | 241 | 153.4 Ų | 153.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101.2 | 13.4 | 179.9 | -143.1 | -178.2 | 84.1 | 168.3 | 3.1 | 117 | ||
| 226 | N | 51.5 | Low | 52.2 | Low | 165 Ų | 165 | 156.9 Ų | 156.9 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -135.4 | 34.3 | -176.5 | -149.5 | 42.8 | 0 | 0 | 0 | 116.9 | ||
| 227 | S | 57.4 | Low | 51.7 | Low | 111 Ų | 111 | 158.5 Ų | 158.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -134.7 | 12.8 | 180 | -158.1 | 0 | 0 | 0 | 0 | 118.1 | ||
| 228 | R | 53.2 | Low | 51.2 | Low | 227 Ų | 227 | 155.6 Ų | 155.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -139.3 | 3.4 | 178.7 | -76.3 | -165.8 | 179.4 | 152.5 | 1 | 119.8 | G230 | R228-G230 PolarHBondContact O-N 2.95Š|
| 229 | D | 50.5 | Low | 50.9 | Low | 180 Ų | 180 | 156.9 Ų | 156.9 | 96% | 0.963 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 12.9 | 169.6 | -67.2 | -20.8 | 0 | 0 | 0 | 113.5 | ||
| 230 | G | 57.1 | Low | 50.6 | Low | 71 Ų | 71 | 165.3 Ų | 165.3 | 73% | 0.732 | 86% | 0.856 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R228 | R228-G230 PolarHBondContact O-N 2.95Š|
| 231 | L | 49.4 | Very low | 50.6 | Low | 147 Ų | 147 | 167.5 Ų | 167.5 | 77% | 0.77 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -130.2 | 107.6 | -175.5 | -78.4 | 169.1 | 0 | 0 | 0 | 111.7 | ||
| 232 | I | 49.5 | Very low | 50.4 | Low | 136 Ų | 136 | 173.1 Ų | 173.1 | 70% | 0.697 | 87% | 0.873 | S | S | * | * | trans | 92.7 | 60.1 | 148.8 | -42.9 | 151.1 | 0 | 0 | 0 | 114.5 | K234 | I232-K234 HydrophobicContact CG2-CB 3.57Å; I232-K234 PolarHBondContact O-N 2.76Å | ||
| 233 | S | 54.9 | Low | 51.1 | Low | 134 Ų | 134 | 170.7 Ų | 170.7 | 94% | 0.937 | 88% | 0.878 | S | S | * | * | trans | -69.6 | 80.4 | 131 | 162.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 234 | K | 40.8 | Very low | 51 | Low | 188 Ų | 188 | 166.3 Ų | 166.3 | 82% | 0.817 | 88% | 0.881 | S | S | * | * | trans | -142.8 | 76.6 | 172.6 | -144.3 | -166.5 | -169 | -162 | 0 | 109.3 | I232 | I232-K234 HydrophobicContact CG2-CB 3.57Å; I232-K234 PolarHBondContact O-N 2.76Å | ||
| 235 | S | 48.6 | Very low | 51.1 | Low | 192 Ų | 192 | 162.9 Ų | 162.9 | 100% | 1.343 | 88% | 0.88 | S | S | * | * | trans | -170.4 | 0 | 142.4 | -172.2 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 235 of 235 residues in 51.9 ms
(Link to these results)