| 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 | 48.1 | Very low | 76.8 | Confident | 242 Ų | 242 | 106.7 Ų | 106.7 | 100% | 1.192 | 58% | 0.576 | S | S | * | * | 0 | 77.8 | 0 | -86.1 | 171.7 | 159.8 | 0 | 0 | 107.6 | |||||
| 2 | G | 50.3 | Low | 77.5 | Confident | 63 Ų | 63 | 110.5 Ų | 110.5 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | trans | -99.8 | 126.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L4 | G2-L4 PolarHBondContact O-N 3.09Š| ||
| 3 | D | 61.9 | Low | 78.2 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | trans | -44.7 | 89.1 | -176 | -59.1 | -108.8 | 0 | 0 | 0 | 114.2 | K5 | D3-K5 VanDerWaalsContact C-N 3.34Å; D3-K5 PolarHBondContact O-N 2.96Å | ||
| 4 | L | 68.5 | Low | 78.9 | Confident | 67 Ų | 67 | 101.4 Ų | 101.4 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | trans | -68.6 | 96.8 | 162.9 | -76 | 162.8 | 0 | 0 | 0 | 107.1 | G2 S6 L19 I21 E63 | G2-L4 PolarHBondContact O-N 3.09Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-L19 HydrophobicContact CB-CD1 4.13Å; L4-L19 HydrophobicContact CD2-CD2 3.83Å; L4-L19 HydrophobicContact CD2-CG 4.14Å; L4-I21 HydrophobicContact CD2-CG1 4.03Å; L4-E63 HydrophobicContact CD1-CG 4.05Å; L4-E63 HydrophobicContact CD2-CG 4.11Å | ||
| 5 | K | 80.1 | Confident | 79.7 | Confident | 138 Ų | 138 | 105.7 Ų | 105.7 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 110.8 | 176.9 | -71.1 | -175.5 | 177.5 | -178.5 | 0 | 108.9 | D3 I20 | D3-K5 VanDerWaalsContact C-N 3.34Å; D3-K5 PolarHBondContact O-N 2.96Å; K5-I20 HydrophobicContact CB-CB 4.2Å; K5-I20 HydrophobicContact CB-CD1 4.05Å; K5-I20 HydrophobicContact CB-CG1 4.28Å; K5-I20 PolarHBondContact O-N 3.21Å |
| 6 | S | 86 | Confident | 80.4 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 156.1 | 172.2 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | L4 Y18 | L4-S6 PolarHBondContact O-N 3.36Å; S6-Y18 VanDerWaalsContact CA-O 3.27Å; S6-Y18 WeakPolarHBondContact CA-O 3.37Å |
| 7 | G | 89.4 | Confident | 80.9 | Confident | 17 Ų | 17 | 94.4 Ų | 94.4 | 18% | 0.175 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -171.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G17 Y18 | G7-G17 WeakPolarHBondContact O-CA 3.31Å; G7-Y18 VanDerWaalsContact C-CE1 3.43Å; G7-Y18 PolarHBondContact N-O 3.19Å; G7-Y18 PolarHBondContact O-N 2.97Å |
| 8 | F | 90.6 | Very high | 81.4 | Confident | 131 Ų | 131 | 92.3 Ų | 92.3 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.3 | 174.4 | -63.7 | -88.4 | 0 | 0 | 0 | 109.5 | R15 L16 | F8-R15 HydrophobicContact CB-CG 3.91Å; F8-R15 HydrophobicContact CD1-CG 4.17Å; F8-R15 HydrophobicContact CG-CG 4.36Å; F8-L16 CarbonylContact C-O 3.53Å; F8-L16 VanDerWaalsContact CA-O 3.3Å; F8-L16 WeakPolarHBondContact CA-O 3.38Å |
| 9 | E | 91.2 | Very high | 81.8 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.7 | 174.7 | -172.8 | 171.8 | 86 | 0 | 0 | 109.4 | V11 L16 Y18 Q25 F27 | E9-V11 HydrophobicContact CG-CG2 4.4Å; E9-L16 PolarHBondContact N-O 2.91Å; E9-L16 PolarHBondContact O-N 2.93Å; E9-Y18 HydrophobicContact CB-CD1 3.92Å; E9-Y18 HydrophobicContact CB-CE1 4.14Å; E9-Q25 PolarHBondContact OE1-NE2 3.01Å; E9-Q25 PolarHBondContact OE2-NE2 2.82Å; E9-Q25 VanDerWaalsContact OE2-NE2 3.09Å; E9-F27 HydrophobicContact CB-CE1 4.18Å; E9-F27 WeakPolarHBondContact OE1-CZ 3.34Å |
| 10 | E | 91.6 | Very high | 82 | Confident | 151 Ų | 151 | 87 Ų | 87 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.1 | 176.3 | -166.4 | 175.2 | 103.7 | 0 | 0 | 109.8 | V14 | E10-V14 CarbonylContact C-O 3.48Å; E10-V14 WeakPolarHBondContact CA-O 3.42Å |
| 11 | V | 87.4 | Confident | 82 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | E9 G13 V14 L16 F27 L36 | E9-V11 HydrophobicContact CG-CG2 4.4Å; V11-G13 PolarHBondContact O-N 3.43Å; V11-V14 PolarHBondContact N-O 3.28Å; V11-V14 WeakPolarHBondContact O-CB 3.27Å; V11-V14 PolarHBondContact O-N 2.82Å; V11-L16 HydrophobicContact CB-CD1 3.85Å; V11-L16 HydrophobicContact CG1-CD1 4.5Å; V11-L16 HydrophobicContact CG2-CD1 3.99Å; V11-F27 HydrophobicContact CG2-CE1 4.21Å; V11-F27 HydrophobicContact CG2-CZ 4.12Å; V11-L36 HydrophobicContact CG1-CD1 4.21Å |
| 12 | D | 85 | Confident | 83.5 | Confident | 152 Ų | 152 | 81.3 Ų | 81.3 | 81% | 0.813 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.5 | -179.7 | -143.2 | -115.8 | 0 | 0 | 0 | 113.4 | V14 L36 | D12-V14 VanDerWaalsContact C-N 3.27Å; D12-V14 PolarHBondContact O-N 2.98Å; D12-L36 HydrophobicContact CB-CD2 3.38Å |
| 13 | G | 86.7 | Confident | 85 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 9.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V11 | V11-G13 PolarHBondContact O-N 3.43Š|
| 14 | V | 88.3 | Confident | 86.1 | Confident | 29 Ų | 29 | 82 Ų | 82 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.2 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | E10 V11 D12 L16 D35 L36 | E10-V14 CarbonylContact C-O 3.48Å; E10-V14 WeakPolarHBondContact CA-O 3.42Å; V11-V14 PolarHBondContact N-O 3.28Å; V11-V14 WeakPolarHBondContact O-CB 3.27Å; V11-V14 PolarHBondContact O-N 2.82Å; D12-V14 VanDerWaalsContact C-N 3.27Å; D12-V14 PolarHBondContact O-N 2.98Å; V14-L16 HydrophobicContact CG1-CD2 3.72Å; V14-L16 HydrophobicContact CG1-CG 4.02Å; V14-L16 PolarHBondContact O-N 3.49Å; V14-D35 HydrophobicContact CB-CB 4.25Å; V14-D35 HydrophobicContact CG1-CB 3.28Å; V14-D35 HydrophobicContact CG2-CB 3.98Å; V14-L36 HydrophobicContact CB-CD2 4.35Å; V14-L36 HydrophobicContact CG2-CD2 4.14Å; V14-L36 HydrophobicContact CG2-CG 4.46Å |
| 15 | R | 90.1 | Very high | 86.9 | Confident | 167 Ų | 167 | 82.4 Ų | 82.4 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 100.5 | 174.2 | -173.1 | 176.9 | 178.7 | -177.1 | 0.1 | 111.4 | F8 Q31 | F8-R15 HydrophobicContact CB-CG 3.91Å; F8-R15 HydrophobicContact CD1-CG 4.17Å; F8-R15 HydrophobicContact CG-CG 4.36Å; R15-Q31 PolarHBondContact O-NE2 3.39Å |
| 16 | L | 90.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.2 | -179 | -63.8 | 173.8 | 0 | 0 | 0 | 112.1 | F8 E9 V11 V14 F27 Q31 V32 L36 | F8-L16 CarbonylContact C-O 3.53Å; F8-L16 VanDerWaalsContact CA-O 3.3Å; F8-L16 WeakPolarHBondContact CA-O 3.38Å; E9-L16 PolarHBondContact N-O 2.91Å; E9-L16 PolarHBondContact O-N 2.93Å; V11-L16 HydrophobicContact CB-CD1 3.85Å; V11-L16 HydrophobicContact CG1-CD1 4.5Å; V11-L16 HydrophobicContact CG2-CD1 3.99Å; V14-L16 HydrophobicContact CG1-CD2 3.72Å; V14-L16 HydrophobicContact CG1-CG 4.02Å; V14-L16 PolarHBondContact O-N 3.49Å; L16-F27 HydrophobicContact CB-CD1 3.77Å; L16-F27 HydrophobicContact CB-CE1 4.2Å; L16-F27 HydrophobicContact CD1-CD1 4.13Å; L16-F27 HydrophobicContact CD1-CG 4.49Å; L16-Q31 HydrophobicContact CD2-CB 4.08Å; L16-Q31 HydrophobicContact CD2-CG 3.69Å; L16-V32 HydrophobicContact CD1-CG2 3.99Å; L16-V32 HydrophobicContact CD2-CG2 4.3Å; L16-L36 HydrophobicContact CD1-CD1 3.6Å; L16-L36 HydrophobicContact CD1-CG 4.38Å |
| 17 | G | 89.6 | Confident | 87.4 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G7 A28 | G7-G17 WeakPolarHBondContact O-CA 3.31Å; G17-A28 PolarHBondContact O-N 3.31Å |
| 18 | Y | 89.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 23% | 0.227 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.8 | 173 | 73.5 | -99 | 0 | 0 | 0 | 112 | S6 G7 E9 I20 Q25 M26 | S6-Y18 VanDerWaalsContact CA-O 3.27Å; S6-Y18 WeakPolarHBondContact CA-O 3.37Å; G7-Y18 VanDerWaalsContact C-CE1 3.43Å; G7-Y18 PolarHBondContact N-O 3.19Å; G7-Y18 PolarHBondContact O-N 2.97Å; E9-Y18 HydrophobicContact CB-CD1 3.92Å; E9-Y18 HydrophobicContact CB-CE1 4.14Å; Y18-I20 HydrophobicContact CD2-CG1 4.13Å; Y18-I20 HydrophobicContact CE2-CD1 4.19Å; Y18-I20 HydrophobicContact CE2-CG1 3.93Å; Y18-Q25 HydrophobicContact CD2-CG 3.65Å; Y18-Q25 HydrophobicContact CE2-CG 4.4Å; Y18-Q25 HydrophobicContact CG-CG 3.72Å; Y18-M26 CarbonylContact C-O 3.58Å; Y18-M26 WeakPolarHBondContact CA-O 3.17Å; Y18-M26 WeakPolarHBondContact CB-O 3.36Å |
| 19 | L | 88.4 | Confident | 87 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135 | 172.1 | -158.6 | 69.5 | 0 | 0 | 0 | 109.2 | L4 I21 M26 E63 | L4-L19 HydrophobicContact CB-CD1 4.13Å; L4-L19 HydrophobicContact CD2-CD2 3.83Å; L4-L19 HydrophobicContact CD2-CG 4.14Å; L19-I21 HydrophobicContact CB-CG1 4.45Å; L19-I21 HydrophobicContact CD2-CD1 3.85Å; L19-I21 HydrophobicContact CD2-CG1 3.85Å; L19-I21 HydrophobicContact CG-CD1 4.47Å; L19-I21 HydrophobicContact CG-CG1 4.14Å; L19-I21 PolarHBondContact O-N 2.86Å; L19-M26 PolarHBondContact N-O 2.8Å; L19-M26 PolarHBondContact O-N 2.83Å; L19-E63 HydrophobicContact CD2-CB 3.87Å; L19-E63 HydrophobicContact CD2-CG 4.29Å |
| 20 | I | 85.8 | Confident | 86.6 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 107.6 | 173 | -57.3 | -178.7 | 0 | 0 | 0 | 108.4 | K5 Y18 K24 | K5-I20 HydrophobicContact CB-CB 4.2Å; K5-I20 HydrophobicContact CB-CD1 4.05Å; K5-I20 HydrophobicContact CB-CG1 4.28Å; K5-I20 PolarHBondContact O-N 3.21Å; Y18-I20 HydrophobicContact CD2-CG1 4.13Å; Y18-I20 HydrophobicContact CE2-CD1 4.19Å; Y18-I20 HydrophobicContact CE2-CG1 3.93Å; I20-K24 WeakPolarHBondContact CA-O 3.47Å |
| 21 | I | 81.6 | Confident | 86.3 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.9 | 176.6 | -62.8 | 163.2 | 0 | 0 | 0 | 107.4 | L4 L19 G23 K24 M26 E63 | L4-I21 HydrophobicContact CD2-CG1 4.03Å; L19-I21 HydrophobicContact CB-CG1 4.45Å; L19-I21 HydrophobicContact CD2-CD1 3.85Å; L19-I21 HydrophobicContact CD2-CG1 3.85Å; L19-I21 HydrophobicContact CG-CD1 4.47Å; L19-I21 HydrophobicContact CG-CG1 4.14Å; L19-I21 PolarHBondContact O-N 2.86Å; I21-G23 PolarHBondContact O-N 3.17Å; I21-K24 PolarHBondContact N-O 3.18Å; I21-K24 PolarHBondContact O-N 3.4Å; I21-M26 HydrophobicContact CB-CE 3.5Å; I21-M26 VanDerWaalsContact CB-CE 3.5Å; I21-M26 HydrophobicContact CD1-CE 3.59Å; I21-M26 HydrophobicContact CG1-CE 4.12Å; I21-M26 HydrophobicContact CG2-CE 3.72Å; I21-E63 HydrophobicContact CD1-CG 4.42Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.3Å; I21-E63 VanDerWaalsContact CG1-OE1 3.31Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.39Å; I21-E63 WeakPolarHBondContact CG2-OE1 3.42Å |
| 22 | K | 79.9 | Confident | 86.3 | Confident | 200 Ų | 200 | 70 Ų | 70 | 87% | 0.87 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 37.4 | -179 | -61.2 | 176.6 | 177.8 | 174.5 | 0 | 113.4 | K24 | K22-K24 PolarHBondContact O-N 2.89Š|
| 23 | G | 81.6 | Confident | 86.4 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I21 | I21-G23 PolarHBondContact O-N 3.17Š|
| 24 | K | 84.9 | Confident | 86.3 | Confident | 152 Ų | 152 | 64.6 Ų | 64.6 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.9 | 173.3 | -66.7 | -174.8 | 179.5 | -177.2 | 0 | 110.2 | I20 I21 K22 M26 | I20-K24 WeakPolarHBondContact CA-O 3.47Å; I21-K24 PolarHBondContact N-O 3.18Å; I21-K24 PolarHBondContact O-N 3.4Å; K22-K24 PolarHBondContact O-N 2.89Å; K24-M26 PolarHBondContact O-N 3.27Å |
| 25 | Q | 85.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.2 | 170.5 | -174.1 | 164.3 | -46.2 | 0 | 0 | 109.2 | E9 Y18 F27 | E9-Q25 PolarHBondContact OE1-NE2 3.01Å; E9-Q25 PolarHBondContact OE2-NE2 2.82Å; E9-Q25 VanDerWaalsContact OE2-NE2 3.09Å; Y18-Q25 HydrophobicContact CD2-CG 3.65Å; Y18-Q25 HydrophobicContact CE2-CG 4.4Å; Y18-Q25 HydrophobicContact CG-CG 3.72Å; Q25-F27 HydrophobicContact CG-CZ 4.32Å; Q25-F27 VanDerWaalsContact NE2-CZ 3.28Å |
| 26 | M | 87.8 | Confident | 86.1 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135 | 177.2 | -63.8 | -144.8 | -108.8 | 0 | 0 | 109.4 | Y18 L19 I21 K24 H57 | Y18-M26 CarbonylContact C-O 3.58Å; Y18-M26 WeakPolarHBondContact CA-O 3.17Å; Y18-M26 WeakPolarHBondContact CB-O 3.36Å; L19-M26 PolarHBondContact N-O 2.8Å; L19-M26 PolarHBondContact O-N 2.83Å; I21-M26 HydrophobicContact CB-CE 3.5Å; I21-M26 VanDerWaalsContact CB-CE 3.5Å; I21-M26 HydrophobicContact CD1-CE 3.59Å; I21-M26 HydrophobicContact CG1-CE 4.12Å; I21-M26 HydrophobicContact CG2-CE 3.72Å; K24-M26 PolarHBondContact O-N 3.27Å; M26-H57 HydrophobicContact CE-CB 3.35Å; M26-H57 HydrophobicContact SD-CB 3.5Å; M26-H57 VanDerWaalsContact SD-CB 3.5Å |
| 27 | F | 89.5 | Confident | 85.8 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 31% | 0.311 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 150.2 | 177.9 | -62.5 | -79.5 | 0 | 0 | 0 | 111 | E9 V11 L16 Q25 L29 V32 | E9-F27 HydrophobicContact CB-CE1 4.18Å; E9-F27 WeakPolarHBondContact OE1-CZ 3.34Å; V11-F27 HydrophobicContact CG2-CE1 4.21Å; V11-F27 HydrophobicContact CG2-CZ 4.12Å; L16-F27 HydrophobicContact CB-CD1 3.77Å; L16-F27 HydrophobicContact CB-CE1 4.2Å; L16-F27 HydrophobicContact CD1-CD1 4.13Å; L16-F27 HydrophobicContact CD1-CG 4.49Å; Q25-F27 HydrophobicContact CG-CZ 4.32Å; Q25-F27 VanDerWaalsContact NE2-CZ 3.28Å; F27-L29 PolarHBondContact O-N 2.9Å; F27-V32 HydrophobicContact CB-CG2 3.9Å |
| 28 | A | 85.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | trans | -63 | 109.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G17 S30 Q31 V32 | G17-A28 PolarHBondContact O-N 3.31Å; A28-S30 PolarHBondContact O-N 2.81Å; A28-Q31 HydrophobicContact CB-CB 4.03Å; A28-Q31 WeakPolarHBondContact O-CB 3.23Å; A28-Q31 PolarHBondContact O-N 3.03Å; A28-V32 WeakPolarHBondContact O-CG2 3.28Å; A28-V32 PolarHBondContact O-N 2.88Å | ||
| 29 | L | 84.9 | Confident | 85.6 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -34.3 | -176.8 | -170.9 | 66.5 | 0 | 0 | 0 | 112.2 | F27 Q31 V32 F33 M49 | F27-L29 PolarHBondContact O-N 2.9Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 2.89Å; L29-V32 PolarHBondContact O-N 3.48Å; L29-F33 HydrophobicContact CD1-CD1 4.41Å; L29-F33 HydrophobicContact CD1-CE1 3.64Å; L29-F33 HydrophobicContact CD1-CE2 4.08Å; L29-F33 HydrophobicContact CD1-CZ 3.49Å; L29-F33 VanDerWaalsContact CD1-CZ 3.49Å; L29-F33 HydrophobicContact CD2-CE2 3.73Å; L29-F33 HydrophobicContact CD2-CZ 3.67Å; L29-F33 HydrophobicContact CG-CD2 4.11Å; L29-F33 HydrophobicContact CG-CE1 3.99Å; L29-F33 HydrophobicContact CG-CE2 3.48Å; L29-F33 VanDerWaalsContact CG-CE2 3.48Å; L29-F33 HydrophobicContact CG-CZ 3.42Å; L29-F33 VanDerWaalsContact CG-CZ 3.42Å; L29-F33 WeakPolarHBondContact O-CD2 3.19Å; L29-F33 WeakPolarHBondContact O-CG 3.49Å; L29-F33 PolarHBondContact O-N 2.85Å; L29-M49 HydrophobicContact CD1-CE 3.95Å; L29-M49 HydrophobicContact CD1-SD 4.19Å; L29-M49 HydrophobicContact CD2-CE 4.36Å |
| 30 | S | 83.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 173.9 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | A28 F33 T34 | A28-S30 PolarHBondContact O-N 2.81Å; S30-F33 PolarHBondContact O-N 3.33Å; S30-T34 WeakPolarHBondContact O-CB 3.26Å; S30-T34 PolarHBondContact O-N 3.49Å; S30-T34 VanDerWaalsContact O-N 3.14Å; S30-T34 PolarHBondContact O-OG1 2.85Å |
| 31 | Q | 85.6 | Confident | 85.6 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -72.6 | -44.6 | 179.3 | -161.8 | -178.6 | -6.5 | 0 | 0 | 110.8 | R15 L16 A28 L29 F33 T34 D35 | R15-Q31 PolarHBondContact O-NE2 3.39Å; L16-Q31 HydrophobicContact CD2-CB 4.08Å; L16-Q31 HydrophobicContact CD2-CG 3.69Å; A28-Q31 HydrophobicContact CB-CB 4.03Å; A28-Q31 WeakPolarHBondContact O-CB 3.23Å; A28-Q31 PolarHBondContact O-N 3.03Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 2.89Å; Q31-F33 PolarHBondContact O-N 3.23Å; Q31-T34 PolarHBondContact O-N 3.04Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.38Å; Q31-D35 PolarHBondContact O-N 2.89Å |
| 32 | V | 87.6 | Confident | 85.7 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 16% | 0.158 | 44% | 0.44 | C | S | . | . | I | π-helix | trans | -54.3 | -41.7 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L16 F27 A28 L29 L36 L37 | L16-V32 HydrophobicContact CD1-CG2 3.99Å; L16-V32 HydrophobicContact CD2-CG2 4.3Å; F27-V32 HydrophobicContact CB-CG2 3.9Å; A28-V32 WeakPolarHBondContact O-CG2 3.28Å; A28-V32 PolarHBondContact O-N 2.88Å; L29-V32 PolarHBondContact O-N 3.48Å; V32-L36 HydrophobicContact CG1-CB 4.44Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG2-CD1 4.44Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 PolarHBondContact O-N 3.17Å; V32-L36 VanDerWaalsContact O-N 3.17Å; V32-L37 HydrophobicContact CG1-CD1 4.18Å; V32-L37 HydrophobicContact CG1-CG 4.39Å; V32-L37 PolarHBondContact O-N 3.41Å |
| 33 | F | 86.4 | Confident | 86 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 10% | 0.096 | 43% | 0.43 | C | S | . | . | I | π-helix | trans | -69.4 | -34.1 | 177.2 | -67.1 | -23.6 | 0 | 0 | 0 | 114 | L29 S30 Q31 L37 K38 V45 H46 M49 | L29-F33 HydrophobicContact CD1-CD1 4.41Å; L29-F33 HydrophobicContact CD1-CE1 3.64Å; L29-F33 HydrophobicContact CD1-CE2 4.08Å; L29-F33 HydrophobicContact CD1-CZ 3.49Å; L29-F33 VanDerWaalsContact CD1-CZ 3.49Å; L29-F33 HydrophobicContact CD2-CE2 3.73Å; L29-F33 HydrophobicContact CD2-CZ 3.67Å; L29-F33 HydrophobicContact CG-CD2 4.11Å; L29-F33 HydrophobicContact CG-CE1 3.99Å; L29-F33 HydrophobicContact CG-CE2 3.48Å; L29-F33 VanDerWaalsContact CG-CE2 3.48Å; L29-F33 HydrophobicContact CG-CZ 3.42Å; L29-F33 VanDerWaalsContact CG-CZ 3.42Å; L29-F33 WeakPolarHBondContact O-CD2 3.19Å; L29-F33 WeakPolarHBondContact O-CG 3.49Å; L29-F33 PolarHBondContact O-N 2.85Å; S30-F33 PolarHBondContact O-N 3.33Å; Q31-F33 PolarHBondContact O-N 3.23Å; F33-L37 HydrophobicContact CD1-CD1 4.1Å; F33-L37 HydrophobicContact CE1-CD1 4.37Å; F33-L37 CarbonylContact O-C 3.32Å; F33-L37 VanDerWaalsContact O-C 3.32Å; F33-K38 PolarHBondContact O-N 3.37Å; F33-V45 HydrophobicContact CD1-CG1 4.04Å; F33-V45 HydrophobicContact CE1-CB 4.13Å; F33-V45 HydrophobicContact CE1-CG1 3.35Å; F33-V45 HydrophobicContact CZ-CG1 4.13Å; F33-H46 AromaticContact CE2-NE2 3.55Å; F33-H46 AromaticContact CZ-CD2 3.76Å; F33-H46 AromaticContact CZ-NE2 3.67Å; F33-M49 HydrophobicContact CE1-SD 4.23Å; F33-M49 HydrophobicContact CZ-SD 4.05Å |
| 34 | T | 85.4 | Confident | 86.4 | Confident | 81 Ų | 81 | 79 Ų | 79 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | I | π-helix | trans | -84.9 | -34.6 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 112 | S30 Q31 K38 | S30-T34 WeakPolarHBondContact O-CB 3.26Å; S30-T34 PolarHBondContact O-N 3.49Å; S30-T34 VanDerWaalsContact O-N 3.14Å; S30-T34 PolarHBondContact O-OG1 2.85Å; Q31-T34 PolarHBondContact O-N 3.04Å; T34-K38 WeakPolarHBondContact O-CB 3.1Å |
| 35 | D | 87.4 | Confident | 86.5 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -100.4 | -56.8 | -175.6 | -67.5 | -66.4 | 0 | 0 | 0 | 112.1 | V14 Q31 | V14-D35 HydrophobicContact CB-CB 4.25Å; V14-D35 HydrophobicContact CG1-CB 3.28Å; V14-D35 HydrophobicContact CG2-CB 3.98Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.38Å; Q31-D35 PolarHBondContact O-N 2.89Å |
| 36 | L | 85.3 | Confident | 86.4 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -75.3 | -47.8 | -177.2 | -74.4 | 171.5 | 0 | 0 | 0 | 112.4 | V11 D12 V14 L16 V32 | V11-L36 HydrophobicContact CG1-CD1 4.21Å; D12-L36 HydrophobicContact CB-CD2 3.38Å; V14-L36 HydrophobicContact CB-CD2 4.35Å; V14-L36 HydrophobicContact CG2-CD2 4.14Å; V14-L36 HydrophobicContact CG2-CG 4.46Å; L16-L36 HydrophobicContact CD1-CD1 3.6Å; L16-L36 HydrophobicContact CD1-CG 4.38Å; V32-L36 HydrophobicContact CG1-CB 4.44Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG2-CD1 4.44Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 PolarHBondContact O-N 3.17Å; V32-L36 VanDerWaalsContact O-N 3.17Å |
| 37 | L | 85.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -103.7 | 23.4 | -171.3 | -53.3 | 179.9 | 0 | 0 | 0 | 112.9 | V32 F33 N39 I40 V45 | V32-L37 HydrophobicContact CG1-CD1 4.18Å; V32-L37 HydrophobicContact CG1-CG 4.39Å; V32-L37 PolarHBondContact O-N 3.41Å; F33-L37 HydrophobicContact CD1-CD1 4.1Å; F33-L37 HydrophobicContact CE1-CD1 4.37Å; F33-L37 CarbonylContact O-C 3.32Å; F33-L37 VanDerWaalsContact O-C 3.32Å; L37-N39 PolarHBondContact O-N 2.95Å; L37-I40 HydrophobicContact CD2-CD1 4.1Å; L37-I40 PolarHBondContact O-N 3.35Å; L37-V45 HydrophobicContact CB-CG2 4.33Å; L37-V45 HydrophobicContact CD1-CB 4.47Å; L37-V45 HydrophobicContact CD1-CG1 3.6Å; L37-V45 HydrophobicContact CD1-CG2 3.97Å |
| 38 | K | 86.3 | Confident | 86.4 | Confident | 148 Ų | 148 | 83.2 Ų | 83.2 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.6 | -175 | 77.2 | -173.5 | 178.4 | -173.3 | 0 | 114.7 | F33 T34 | F33-K38 PolarHBondContact O-N 3.37Å; T34-K38 WeakPolarHBondContact O-CB 3.1Å |
| 39 | N | 87.6 | Confident | 86.4 | Confident | 144 Ų | 144 | 82.9 Ų | 82.9 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.2 | -178.4 | -64.3 | -36.6 | 0 | 0 | 0 | 113.5 | L37 | L37-N39 PolarHBondContact O-N 2.95Š|
| 40 | I | 86 | Confident | 86.5 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -109.5 | 126.2 | -178.9 | -51.8 | -174.5 | 0 | 0 | 0 | 109 | L37 R42 T44 V45 | L37-I40 HydrophobicContact CD2-CD1 4.1Å; L37-I40 PolarHBondContact O-N 3.35Å; I40-R42 PolarHBondContact O-N 2.94Å; I40-T44 HydrophobicContact CG2-CG2 4.1Å; I40-V45 HydrophobicContact CB-CG2 3.94Å; I40-V45 HydrophobicContact CG2-CG2 3.58Å |
| 41 | P | 87.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | trans | -56.4 | 133.1 | 177.2 | -23.5 | 31.7 | 0 | 0 | 0 | 111.7 | T43 T44 V45 | P41-T43 PolarHBondContact O-N 3.17Å; P41-T43 VanDerWaalsContact O-N 3.08Å; P41-T44 WeakPolarHBondContact O-CA 3.34Å; P41-T44 WeakPolarHBondContact O-CB 3.32Å; P41-T44 PolarHBondContact O-N 2.77Å; P41-V45 PolarHBondContact O-N 2.96Å; P41-V45 VanDerWaalsContact O-N 3.14Å | ||
| 42 | R | 83.8 | Confident | 86.8 | Confident | 165 Ų | 165 | 93 Ų | 93 | 62% | 0.623 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -51.7 | -36.2 | -179.4 | -66.8 | -175.8 | 178.5 | 107.4 | 0.8 | 113.2 | I40 T44 V45 H46 | I40-R42 PolarHBondContact O-N 2.94Å; R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 PolarHBondContact O-N 3.5Å; R42-V45 PolarHBondContact O-N 3.23Å; R42-H46 WeakPolarHBondContact O-CB 3.5Å; R42-H46 PolarHBondContact O-CD2 2.95Å; R42-H46 VanDerWaalsContact O-CD2 3.3Å; R42-H46 PolarHBondContact O-N 3.01Å |
| 43 | T | 87.9 | Confident | 86.5 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 176.3 | 53 | 0 | 0 | 0 | 0 | 112.7 | P41 K47 | P41-T43 PolarHBondContact O-N 3.17Å; P41-T43 VanDerWaalsContact O-N 3.08Å; T43-K47 PolarHBondContact O-N 3.02Å |
| 44 | T | 88.1 | Confident | 86.3 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | I40 P41 R42 K47 R48 | I40-T44 HydrophobicContact CG2-CG2 4.1Å; P41-T44 WeakPolarHBondContact O-CA 3.34Å; P41-T44 WeakPolarHBondContact O-CB 3.32Å; P41-T44 PolarHBondContact O-N 2.77Å; R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 PolarHBondContact O-N 3.5Å; T44-K47 PolarHBondContact O-N 3.01Å; T44-R48 PolarHBondContact O-N 3.23Å |
| 45 | V | 87.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 108.6 Ų | 108.6 | 7% | 0.073 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | F33 L37 I40 P41 R42 K47 R48 M49 | F33-V45 HydrophobicContact CD1-CG1 4.04Å; F33-V45 HydrophobicContact CE1-CB 4.13Å; F33-V45 HydrophobicContact CE1-CG1 3.35Å; F33-V45 HydrophobicContact CZ-CG1 4.13Å; L37-V45 HydrophobicContact CB-CG2 4.33Å; L37-V45 HydrophobicContact CD1-CB 4.47Å; L37-V45 HydrophobicContact CD1-CG1 3.6Å; L37-V45 HydrophobicContact CD1-CG2 3.97Å; I40-V45 HydrophobicContact CB-CG2 3.94Å; I40-V45 HydrophobicContact CG2-CG2 3.58Å; P41-V45 PolarHBondContact O-N 2.96Å; P41-V45 VanDerWaalsContact O-N 3.14Å; R42-V45 PolarHBondContact O-N 3.23Å; V45-K47 PolarHBondContact O-N 3.48Å; V45-R48 PolarHBondContact O-N 3.07Å; V45-M49 HydrophobicContact CG1-CG 4.31Å; V45-M49 HydrophobicContact CG1-SD 4.11Å; V45-M49 WeakPolarHBondContact O-CB 3.2Å; V45-M49 VanDerWaalsContact O-CG 3.32Å; V45-M49 WeakPolarHBondContact O-CG 3.43Å; V45-M49 PolarHBondContact O-N 3.18Å |
| 46 | H | 84.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 112 Ų | 112 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176 | -75.4 | -161.6 | 0 | 0 | 0 | 112.2 | F33 R42 R48 M49 D50 | F33-H46 AromaticContact CE2-NE2 3.55Å; F33-H46 AromaticContact CZ-CD2 3.76Å; F33-H46 AromaticContact CZ-NE2 3.67Å; R42-H46 WeakPolarHBondContact O-CB 3.5Å; R42-H46 PolarHBondContact O-CD2 2.95Å; R42-H46 VanDerWaalsContact O-CD2 3.3Å; R42-H46 PolarHBondContact O-N 3.01Å; H46-R48 VanDerWaalsContact C-N 3.34Å; H46-R48 PolarHBondContact O-N 3.4Å; H46-M49 PolarHBondContact O-N 2.92Å; H46-D50 WeakPolarHBondContact O-CB 3.32Å; H46-D50 PolarHBondContact O-N 3.47Å |
| 47 | K | 88.8 | Confident | 84.8 | Confident | 165 Ų | 165 | 112.9 Ų | 112.9 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 174.6 | -84.3 | -173.7 | 175.9 | -177 | 0 | 112.4 | T43 T44 V45 D50 H51 | T43-K47 PolarHBondContact O-N 3.02Å; T44-K47 PolarHBondContact O-N 3.01Å; V45-K47 PolarHBondContact O-N 3.48Å; K47-D50 PolarHBondContact O-N 2.93Å; K47-H51 WeakPolarHBondContact O-CB 3.49Å; K47-H51 PolarHBondContact O-N 3.11Å |
| 48 | R | 87.3 | Confident | 84.2 | Confident | 162 Ų | 162 | 117.1 Ų | 117.1 | 61% | 0.611 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -41 | 177.4 | -76.6 | -171.1 | 177.2 | -167.8 | 0.5 | 112 | T44 V45 H46 D50 H51 L52 | T44-R48 PolarHBondContact O-N 3.23Å; V45-R48 PolarHBondContact O-N 3.07Å; H46-R48 VanDerWaalsContact C-N 3.34Å; H46-R48 PolarHBondContact O-N 3.4Å; R48-D50 VanDerWaalsContact C-N 3.32Å; R48-D50 PolarHBondContact O-N 3.32Å; R48-H51 PolarHBondContact O-N 2.83Å; R48-L52 VanDerWaalsContact O-CB 3.28Å; R48-L52 WeakPolarHBondContact O-CB 3.18Å; R48-L52 VanDerWaalsContact O-CG 3.23Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.45Å |
| 49 | M | 87.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 113.6 Ų | 113.6 | 17% | 0.167 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -61.1 | -42.6 | 175.3 | -73.6 | 178.2 | 74.7 | 0 | 0 | 111.6 | L29 F33 V45 H46 L52 K53 V54 | L29-M49 HydrophobicContact CD1-CE 3.95Å; L29-M49 HydrophobicContact CD1-SD 4.19Å; L29-M49 HydrophobicContact CD2-CE 4.36Å; F33-M49 HydrophobicContact CE1-SD 4.23Å; F33-M49 HydrophobicContact CZ-SD 4.05Å; V45-M49 HydrophobicContact CG1-CG 4.31Å; V45-M49 HydrophobicContact CG1-SD 4.11Å; V45-M49 WeakPolarHBondContact O-CB 3.2Å; V45-M49 VanDerWaalsContact O-CG 3.32Å; V45-M49 WeakPolarHBondContact O-CG 3.43Å; V45-M49 PolarHBondContact O-N 3.18Å; H46-M49 PolarHBondContact O-N 2.92Å; M49-L52 CarbonylContact O-C 3.58Å; M49-L52 PolarHBondContact O-N 3.44Å; M49-K53 PolarHBondContact O-N 3.34Å; M49-V54 HydrophobicContact CB-CB 4.15Å; M49-V54 HydrophobicContact CB-CG2 4.39Å; M49-V54 HydrophobicContact CE-CB 4.26Å; M49-V54 HydrophobicContact CE-CG1 3.79Å; M49-V54 HydrophobicContact CG-CB 4.43Å; M49-V54 HydrophobicContact CG-CG2 4.49Å; M49-V54 PolarHBondContact O-N 3.01Å |
| 50 | D | 87.1 | Confident | 83 | Confident | 132 Ų | 132 | 112 Ų | 112 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.4 | -47.6 | 175.1 | -172.8 | -100.4 | 0 | 0 | 0 | 111.4 | H46 K47 R48 L52 K53 | H46-D50 WeakPolarHBondContact O-CB 3.32Å; H46-D50 PolarHBondContact O-N 3.47Å; K47-D50 PolarHBondContact O-N 2.93Å; R48-D50 VanDerWaalsContact C-N 3.32Å; R48-D50 PolarHBondContact O-N 3.32Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.87Å; D50-K53 WeakPolarHBondContact O-CA 3.35Å; D50-K53 PolarHBondContact O-N 2.9Å |
| 51 | H | 88.3 | Confident | 82.4 | Confident | 156 Ų | 156 | 115.7 Ų | 115.7 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.2 | -41.2 | 176 | -168 | 107.3 | 0 | 0 | 0 | 112.5 | K47 R48 K53 | K47-H51 WeakPolarHBondContact O-CB 3.49Å; K47-H51 PolarHBondContact O-N 3.11Å; R48-H51 PolarHBondContact O-N 2.83Å; H51-K53 PolarHBondContact O-N 3.46Å |
| 52 | L | 86.3 | Confident | 81.5 | Confident | 129 Ų | 129 | 119.4 Ų | 119.4 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 0.9 | 177.1 | -68 | 170.8 | 0 | 0 | 0 | 113 | R48 M49 D50 V54 | R48-L52 VanDerWaalsContact O-CB 3.28Å; R48-L52 WeakPolarHBondContact O-CB 3.18Å; R48-L52 VanDerWaalsContact O-CG 3.23Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.45Å; M49-L52 CarbonylContact O-C 3.58Å; M49-L52 PolarHBondContact O-N 3.44Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.87Å; L52-V54 HydrophobicContact CB-CG2 3.82Å; L52-V54 PolarHBondContact O-N 3.34Å |
| 53 | K | 82.1 | Confident | 80.7 | Confident | 183 Ų | 183 | 113 Ų | 113 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 36.2 | -177.5 | -58.2 | -180 | 179.7 | 178.3 | 0 | 112.8 | M49 D50 H51 K55 | M49-K53 PolarHBondContact O-N 3.34Å; D50-K53 WeakPolarHBondContact O-CA 3.35Å; D50-K53 PolarHBondContact O-N 2.9Å; H51-K53 PolarHBondContact O-N 3.46Å; K53-K55 PolarHBondContact O-N 3.03Å |
| 54 | V | 80.7 | Confident | 79.6 | Confident | 74 Ų | 74 | 114.7 Ų | 114.7 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | trans | -66.7 | 116 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | M49 L52 K56 | M49-V54 HydrophobicContact CB-CB 4.15Å; M49-V54 HydrophobicContact CB-CG2 4.39Å; M49-V54 HydrophobicContact CE-CB 4.26Å; M49-V54 HydrophobicContact CE-CG1 3.79Å; M49-V54 HydrophobicContact CG-CB 4.43Å; M49-V54 HydrophobicContact CG-CG2 4.49Å; M49-V54 PolarHBondContact O-N 3.01Å; L52-V54 HydrophobicContact CB-CG2 3.82Å; L52-V54 PolarHBondContact O-N 3.34Å; V54-K56 PolarHBondContact O-N 3.3Å | ||
| 55 | K | 74.8 | Confident | 78.5 | Confident | 201 Ų | 201 | 125.2 Ų | 125.2 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | trans | -75.8 | 108.5 | 174.5 | -67.1 | -172.2 | 179.4 | -176.2 | 0 | 108.9 | K53 | K53-K55 PolarHBondContact O-N 3.03Š| ||
| 56 | K | 74.7 | Confident | 78 | Confident | 138 Ų | 138 | 130.9 Ų | 130.9 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 130 | 166.6 | 59 | -176.2 | -178.6 | 176 | 0 | 109.4 | V54 | V54-K56 PolarHBondContact O-N 3.3Š|
| 57 | H | 76.6 | Confident | 77.7 | Confident | 71 Ų | 71 | 132.4 Ų | 132.4 | 33% | 0.329 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 127.5 | 166.7 | -176.9 | 77.2 | 0 | 0 | 0 | 107.8 | M26 C59 E63 | M26-H57 HydrophobicContact CE-CB 3.35Å; M26-H57 HydrophobicContact SD-CB 3.5Å; M26-H57 VanDerWaalsContact SD-CB 3.5Å; H57-C59 PolarHBondContact O-N 3.14Å; H57-E63 IonicContact CD2-OE2 3.59Å; H57-E63 IonicContact CE1-OE2 3.96Å; H57-E63 IonicContact NE2-OE1 3.17Å; H57-E63 PolarHBondContact NE2-OE1 2.86Å; H57-E63 VanDerWaalsContact NE2-OE1 3.17Å; H57-E63 IonicContact NE2-OE2 2.85Å; H57-E63 PolarHBondContact NE2-OE2 3.08Å |
| 58 | H | 74 | Confident | 77.1 | Confident | 140 Ų | 140 | 130.6 Ų | 130.6 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 116.1 | 170.6 | -87 | -86.7 | 0 | 0 | 0 | 107.1 | D60 | H58-D60 PolarHBondContact O-N 2.78Š|
| 59 | C | 73.4 | Confident | 76.5 | Confident | 74 Ų | 74 | 128.8 Ų | 128.8 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 128.6 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | H57 E63 | H57-C59 PolarHBondContact O-N 3.14Å; C59-E63 VanDerWaalsContact CA-OE2 3.26Å; C59-E63 WeakPolarHBondContact CA-OE2 3.46Å; C59-E63 HydrophobicContact CB-CB 3.93Å |
| 60 | D | 74.8 | Confident | 75.8 | Confident | 111 Ų | 111 | 134.7 Ų | 134.7 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 165.7 | 168.6 | -71.1 | -54.1 | 0 | 0 | 0 | 110.6 | H58 E62 E63 L64 | H58-D60 PolarHBondContact O-N 2.78Å; D60-E62 PolarHBondContact O-N 3.14Å; D60-E62 VanDerWaalsContact O-N 3.11Å; D60-E63 PolarHBondContact N-OE2 2.88Å; D60-E63 WeakPolarHBondContact O-CA 3.46Å; D60-E63 PolarHBondContact O-N 3.32Å; D60-L64 PolarHBondContact O-N 3.45Å |
| 61 | L | 73.1 | Confident | 75 | Confident | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -55.5 | -30.4 | -178.7 | -85.2 | 162.4 | 0 | 0 | 0 | 113.8 | R65 | L61-R65 PolarHBondContact O-N 3.3Å |
| 62 | E | 69.1 | Low | 74.1 | Confident | 155 Ų | 155 | 133.4 Ų | 133.4 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.9 | -27.8 | 175.7 | -64.2 | -169.8 | 96 | 0 | 0 | 112.9 | D60 | D60-E62 PolarHBondContact O-N 3.14Å; D60-E62 VanDerWaalsContact O-N 3.11Å |
| 63 | E | 67.1 | Low | 73.1 | Confident | 31 Ų | 31 | 133.7 Ų | 133.7 | 15% | 0.145 | 63% | 0.63 | C | S | . | * | H | α-helix | trans | -85.3 | -17.3 | 178 | -62.1 | 176.2 | 132.7 | 0 | 0 | 112.2 | L4 L19 I21 H57 C59 D60 | L4-E63 HydrophobicContact CD1-CG 4.05Å; L4-E63 HydrophobicContact CD2-CG 4.11Å; L19-E63 HydrophobicContact CD2-CB 3.87Å; L19-E63 HydrophobicContact CD2-CG 4.29Å; I21-E63 HydrophobicContact CD1-CG 4.42Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.3Å; I21-E63 VanDerWaalsContact CG1-OE1 3.31Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.39Å; I21-E63 WeakPolarHBondContact CG2-OE1 3.42Å; H57-E63 IonicContact CD2-OE2 3.59Å; H57-E63 IonicContact CE1-OE2 3.96Å; H57-E63 IonicContact NE2-OE1 3.17Å; H57-E63 PolarHBondContact NE2-OE1 2.86Å; H57-E63 VanDerWaalsContact NE2-OE1 3.17Å; H57-E63 IonicContact NE2-OE2 2.85Å; H57-E63 PolarHBondContact NE2-OE2 3.08Å; C59-E63 VanDerWaalsContact CA-OE2 3.26Å; C59-E63 WeakPolarHBondContact CA-OE2 3.46Å; C59-E63 HydrophobicContact CB-CB 3.93Å; D60-E63 PolarHBondContact N-OE2 2.88Å; D60-E63 WeakPolarHBondContact O-CA 3.46Å; D60-E63 PolarHBondContact O-N 3.32Å |
| 64 | L | 66.2 | Low | 72.4 | Confident | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.7 | -27.2 | 174.3 | -168.2 | 72 | 0 | 0 | 0 | 112.9 | D60 | D60-L64 PolarHBondContact O-N 3.45Å |
| 65 | R | 64.2 | Low | 71.6 | Confident | 276 Ų | 276 | 134.6 Ų | 134.6 | 100% | 1.042 | 63% | 0.631 | S | S | * | * | trans | -74.3 | 0 | -179.7 | -89.1 | -176.6 | 170.5 | 179.3 | -1.7 | 112.1 | L61 | L61-R65 PolarHBondContact O-N 3.3Š|
Retrieved 65 of 65 residues in 79 ms
(Link to these results)