| 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 | 31.3 | Very low | 38.1 | Very low | 244 Ų | 244 | 149.4 Ų | 149.4 | 100% | 1.202 | 76% | 0.76 | S | S | * | * | 0 | 93.5 | 0 | -85.2 | 167.5 | 164.1 | 0 | 0 | 108.1 | |||||
| 2 | M | 33.2 | Very low | 38.5 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -80.6 | 117.2 | 169.7 | -115.3 | 170.3 | 173.6 | 0 | 0 | 106.3 | I4 | M2-I4 PolarHBondContact O-N 3.47Š| ||
| 3 | N | 31.8 | Very low | 39.5 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 115 | 179.8 | -126.6 | 0.3 | 0 | 0 | 0 | 108.2 | T5 | N3-T5 PolarHBondContact O-N 3.11Š| ||
| 4 | I | 41.6 | Very low | 40.3 | Very low | 135 Ų | 135 | 142 Ų | 142 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | -86.2 | 97.5 | -174 | -61.3 | 164.3 | 0 | 0 | 0 | 106.7 | M2 E6 | M2-I4 PolarHBondContact O-N 3.47Å; I4-E6 PolarHBondContact O-N 3.03Å | ||
| 5 | T | 39.8 | Very low | 41.3 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | trans | -77.9 | 115.3 | 175.3 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | N3 | N3-T5 PolarHBondContact O-N 3.11Š| ||
| 6 | E | 38.3 | Very low | 42.5 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -60.6 | 142 | 169.6 | -159.9 | 166.1 | -158.3 | 0 | 0 | 110.5 | I4 N8 | I4-E6 PolarHBondContact O-N 3.03Å; E6-N8 PolarHBondContact O-N 3.46Å; E6-N8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | Y | 38.1 | Very low | 44 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 40% | 0.404 | 68% | 0.684 | S | S | . | * | trans | -68.8 | 103 | -171.7 | -175.2 | -93.3 | 0 | 0 | 0 | 110.3 | E9 K222 | Y7-E9 HydrophobicContact CD1-CG 4.29Å; Y7-E9 HydrophobicContact CE1-CG 3.42Å; Y7-E9 VanDerWaalsContact CE1-CG 3.42Å; Y7-E9 PolarHBondContact OH-OE1 3.18Å; Y7-K222 PolarHBondContact OH-NZ 2.93Å | ||
| 8 | N | 36.9 | Very low | 46.2 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | trans | -119.1 | 116.8 | 165.9 | -125.3 | -6.5 | 0 | 0 | 0 | 106.8 | E6 D10 V11 | E6-N8 PolarHBondContact O-N 3.46Å; E6-N8 VanDerWaalsContact O-N 3.08Å; N8-D10 PolarHBondContact O-N 3.34Å; N8-V11 PolarHBondContact O-N 3.02Å | ||
| 9 | E | 46.8 | Very low | 48.4 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -20.4 | -168.5 | -81.7 | -172 | 149.9 | 0 | 0 | 114.4 | Y7 | Y7-E9 HydrophobicContact CD1-CG 4.29Å; Y7-E9 HydrophobicContact CE1-CG 3.42Å; Y7-E9 VanDerWaalsContact CE1-CG 3.42Å; Y7-E9 PolarHBondContact OH-OE1 3.18Å |
| 10 | D | 40 | Very low | 50.5 | Low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -12.3 | -174.2 | -67.4 | -38 | 0 | 0 | 0 | 115.7 | N8 | N8-D10 PolarHBondContact O-N 3.34Š|
| 11 | V | 40.8 | Very low | 52.4 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -11.8 | -158.5 | -179.1 | 0 | 0 | 0 | 0 | 116.6 | N8 | N8-V11 PolarHBondContact O-N 3.02Š|
| 12 | L | 43.5 | Very low | 55.2 | Low | 101 Ų | 101 | 111.9 Ų | 111.9 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | trans | -134.8 | 100.5 | 173 | -134.2 | 81 | 0 | 0 | 0 | 110.2 | P14 | L12-P14 VanDerWaalsContact C-N 3.35Å; L12-P14 WeakPolarHBondContact O-CD 3.37Å | ||
| 13 | K | 51.2 | Low | 57.9 | Low | 201 Ų | 201 | 104 Ų | 104 | 87% | 0.874 | 52% | 0.524 | S | S | * | . | trans | -47.2 | 109.8 | 149.5 | -73.5 | -179.8 | -179.7 | 177.1 | 0 | 104.8 | F15 | K13-F15 PolarHBondContact O-N 3.3Š| ||
| 14 | P | 51.3 | Low | 60.5 | Low | 43 Ų | 43 | 102.6 Ų | 102.6 | 28% | 0.279 | 51% | 0.51 | S | S | . | . | trans | -53.8 | 124 | -175.3 | 18.6 | -29.4 | 0 | 0 | 0 | 106.6 | L12 I16 I21 Y224 L226 | L12-P14 VanDerWaalsContact C-N 3.35Å; L12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-I16 PolarHBondContact O-N 2.82Å; P14-I21 HydrophobicContact CB-CD1 4.38Å; P14-Y224 HydrophobicContact CB-CE2 4.01Å; P14-Y224 HydrophobicContact CG-CD2 3.98Å; P14-Y224 HydrophobicContact CG-CE2 3.81Å; P14-L226 HydrophobicContact CG-CD2 4.31Å | ||
| 15 | F | 55.3 | Low | 62.7 | Low | 144 Ų | 144 | 98.3 Ų | 98.3 | 63% | 0.632 | 49% | 0.492 | S | S | * | . | trans | -50.6 | 134.6 | 175.6 | -152.5 | -97.8 | 0 | 0 | 0 | 106.5 | K13 L17 N18 | K13-F15 PolarHBondContact O-N 3.3Å; F15-L17 HydrophobicContact CD1-CB 4.29Å; F15-L17 HydrophobicContact CD1-CD1 3.73Å; F15-L17 HydrophobicContact CE1-CD1 3.64Å; F15-L17 PolarHBondContact O-N 3.43Å; F15-N18 PolarHBondContact O-N 3.12Å | ||
| 16 | I | 59.7 | Low | 64.7 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -18.4 | -170.5 | -72.9 | 169.4 | 0 | 0 | 0 | 113.5 | P14 F207 L227 | P14-I16 PolarHBondContact O-N 2.82Å; I16-F207 HydrophobicContact CG2-CB 4.44Å; I16-L227 HydrophobicContact CG2-CD1 3.4Å; I16-L227 VanDerWaalsContact CG2-CD1 3.4Å |
| 17 | L | 68.4 | Low | 67 | Low | 110 Ų | 110 | 95 Ų | 95 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -12.4 | 177.6 | -74.1 | 123 | 0 | 0 | 0 | 116.1 | F15 L19 F207 | F15-L17 HydrophobicContact CD1-CB 4.29Å; F15-L17 HydrophobicContact CD1-CD1 3.73Å; F15-L17 HydrophobicContact CE1-CD1 3.64Å; F15-L17 PolarHBondContact O-N 3.43Å; L17-L19 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact O-N 3.08Å; L17-F207 HydrophobicContact CD2-CE1 4.22Å; L17-F207 HydrophobicContact CG-CE1 4.48Å |
| 18 | N | 83.3 | Confident | 69.3 | Low | 69 Ų | 69 | 91 Ų | 91 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | trans | -77 | 99 | 174.9 | -74.8 | -12 | 0 | 0 | 0 | 108.3 | F15 F20 Y224 | F15-N18 PolarHBondContact O-N 3.12Å; N18-F20 VanDerWaalsContact C-N 3.32Å; N18-Y224 PolarHBondContact O-OH 3.13Å | ||
| 19 | L | 88.4 | Confident | 71.6 | Confident | 21 Ų | 21 | 89.9 Ų | 89.9 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | trans | -81.6 | -13.8 | 177 | -68.3 | 171 | 0 | 0 | 0 | 112.7 | L17 F140 F141 I206 F207 G210 I211 L226 | L17-L19 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact O-N 3.08Å; L19-F140 HydrophobicContact CB-CE1 4.46Å; L19-F141 HydrophobicContact CB-CE1 4.3Å; L19-F141 HydrophobicContact CB-CZ 4.35Å; L19-F141 HydrophobicContact CD1-CE1 3.74Å; L19-F141 HydrophobicContact CD1-CZ 4.47Å; L19-I206 HydrophobicContact CD1-CG2 4.18Å; L19-I206 VanDerWaalsContact CD2-O 3.25Å; L19-I206 WeakPolarHBondContact CD2-O 3.32Å; L19-F207 HydrophobicContact CD2-CD1 4.12Å; L19-G210 CarbonylContact O-C 2.95Å; L19-G210 WeakPolarHBondContact O-CA 3.33Å; L19-I211 PolarHBondContact O-N 3.27Å; L19-L226 HydrophobicContact CD2-CD1 4.14Å | ||
| 20 | F | 90.7 | Very high | 73.4 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 32% | 0.32 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.1 | 175.9 | 67.7 | -87.7 | 0 | 0 | 0 | 111.6 | N18 I22 I137 F141 I211 | N18-F20 VanDerWaalsContact C-N 3.32Å; F20-I22 HydrophobicContact CD2-CG1 4.22Å; F20-I22 HydrophobicContact CE2-CD1 4.29Å; F20-I22 HydrophobicContact CE2-CG1 4.3Å; F20-I137 HydrophobicContact CD1-CG2 4.15Å; F20-I137 HydrophobicContact CD2-CD1 3.71Å; F20-I137 HydrophobicContact CD2-CG1 4.28Å; F20-I137 HydrophobicContact CE1-CG2 4.3Å; F20-I137 HydrophobicContact CE2-CD1 3.9Å; F20-I137 HydrophobicContact CG-CD1 4.34Å; F20-I137 HydrophobicContact CG-CG1 4.45Å; F20-I137 HydrophobicContact CG-CG2 4.28Å; F20-F141 AromaticContact CD1-CE2 3.71Å; F20-F141 HydrophobicContact CD1-CE2 3.71Å; F20-F141 AromaticContact CD1-CZ 3.71Å; F20-F141 HydrophobicContact CD1-CZ 3.71Å; F20-F141 AromaticContact CE1-CE2 3.81Å; F20-F141 HydrophobicContact CE1-CE2 3.81Å; F20-F141 AromaticContact CE1-CZ 3.86Å; F20-F141 HydrophobicContact CE1-CZ 3.86Å; F20-I211 CarbonylContact C-O 3.58Å; F20-I211 WeakPolarHBondContact CA-O 3.33Å; F20-I211 HydrophobicContact CB-CG1 4.1Å |
| 21 | I | 90.8 | Very high | 75.2 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.5 | 172.8 | -63.3 | 168.4 | 0 | 0 | 0 | 107.6 | P14 I211 V212 V213 Y224 | P14-I21 HydrophobicContact CB-CD1 4.38Å; I21-I211 PolarHBondContact N-O 3.01Å; I21-V212 HydrophobicContact CB-CG2 4.33Å; I21-V212 CarbonylContact O-C 3.6Å; I21-V212 WeakPolarHBondContact O-CA 3.17Å; I21-V213 PolarHBondContact O-N 3.29Å; I21-Y224 HydrophobicContact CD1-CD1 4.38Å; I21-Y224 HydrophobicContact CD1-CE1 3.73Å; I21-Y224 HydrophobicContact CD1-CE2 4.29Å; I21-Y224 HydrophobicContact CG1-CE1 4Å |
| 22 | I | 89.5 | Confident | 76.7 | Confident | 61 Ų | 61 | 87 Ų | 87 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.4 | 175.1 | -60 | 174.9 | 0 | 0 | 0 | 108.1 | F20 K24 Y133 I137 V213 Y215 | F20-I22 HydrophobicContact CD2-CG1 4.22Å; F20-I22 HydrophobicContact CE2-CD1 4.29Å; F20-I22 HydrophobicContact CE2-CG1 4.3Å; I22-K24 HydrophobicContact CG2-CG 4.37Å; I22-Y133 HydrophobicContact CD1-CD2 4.14Å; I22-Y133 HydrophobicContact CD1-CE2 3.92Å; I22-I137 HydrophobicContact CD1-CD1 4.32Å; I22-I137 HydrophobicContact CG1-CD1 4.28Å; I22-V213 CarbonylContact C-O 3.55Å; I22-V213 WeakPolarHBondContact CA-O 3.13Å; I22-Y215 HydrophobicContact CG2-CD2 3.97Å; I22-Y215 HydrophobicContact CG2-CG 4.37Å |
| 23 | N | 88.9 | Confident | 77.8 | Confident | 14 Ų | 14 | 87.3 Ų | 87.3 | 8% | 0.075 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.8 | 174 | -173.9 | -4 | 0 | 0 | 0 | 109.7 | S25 C28 V212 V213 Y215 | N23-S25 WeakPolarHBondContact OD1-CB 3.15Å; N23-S25 PolarHBondContact OD1-N 3.36Å; N23-C28 HydrophobicContact CB-CB 4.45Å; N23-V212 HydrophobicContact CB-CG1 3.7Å; N23-V213 PolarHBondContact N-O 3.22Å; N23-Y215 PolarHBondContact O-N 3.32Å |
| 24 | K | 88.1 | Confident | 78.1 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | trans | -90 | -1.3 | 178.5 | -64.2 | -175.7 | 179.9 | -178.2 | 0 | 113.6 | I22 S26 Y215 | I22-K24 HydrophobicContact CG2-CG 4.37Å; K24-S26 PolarHBondContact O-N 3.39Å; K24-Y215 HydrophobicContact CG-CG 4.17Å | ||
| 25 | S | 87.3 | Confident | 78.2 | Confident | 44 Ų | 44 | 87.5 Ų | 87.5 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | trans | -60.8 | 136.4 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | N23 T27 C28 | N23-S25 WeakPolarHBondContact OD1-CB 3.15Å; N23-S25 PolarHBondContact OD1-N 3.36Å; S25-T27 PolarHBondContact O-N 3.43Å; S25-T27 PolarHBondContact OG-N 3.03Å; S25-T27 VanDerWaalsContact OG-N 3.15Å; S25-T27 PolarHBondContact OG-OG1 3.01Å; S25-C28 VanDerWaalsContact O-CB 3.23Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 3.03Å; S25-C28 VanDerWaalsContact O-N 3.13Å | ||
| 26 | S | 82 | Confident | 78.4 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | K24 C28 | K24-S26 PolarHBondContact O-N 3.39Å; S26-C28 VanDerWaalsContact C-N 3.32Å |
| 27 | T | 86.1 | Confident | 78.8 | Confident | 109 Ų | 109 | 83 Ų | 83 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 6.4 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | S25 T29 | S25-T27 PolarHBondContact O-N 3.43Å; S25-T27 PolarHBondContact OG-N 3.03Å; S25-T27 VanDerWaalsContact OG-N 3.15Å; S25-T27 PolarHBondContact OG-OG1 3.01Å; T27-T29 PolarHBondContact O-N 3.15Å |
| 28 | C | 85.5 | Confident | 79.5 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | trans | -68.7 | 104.9 | 179.1 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | N23 S25 S26 C214 | N23-C28 HydrophobicContact CB-CB 4.45Å; S25-C28 VanDerWaalsContact O-CB 3.23Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 3.03Å; S25-C28 VanDerWaalsContact O-N 3.13Å; S26-C28 VanDerWaalsContact C-N 3.32Å; C28-C214 HydrophobicContact CB-CB 3.76Å; C28-C214 WeakPolarHBondContact CB-SG 3.5Å; C28-C214 PolarHBondContact O-SG 3.29Å; C28-C214 VanDerWaalsContact O-SG 3.33Å; C28-C214 WeakPolarHBondContact SG-CA 3.39Å; C28-C214 WeakPolarHBondContact SG-CB 3.27Å; C28-C214 CovalentContact SG-SG 2.03Å; C28-C214 PolarHBondContact SG-SG 3.29Å | ||
| 29 | T | 86.6 | Confident | 79.3 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 63% | 0.632 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 154.9 | 177.3 | 53 | 0 | 0 | 0 | 0 | 111.3 | T27 S221 | T27-T29 PolarHBondContact O-N 3.15Å; T29-S221 VanDerWaalsContact O-CA 3.29Å; T29-S221 WeakPolarHBondContact O-CA 3.02Å; T29-S221 VanDerWaalsContact O-CB 3.31Å; T29-S221 WeakPolarHBondContact O-CB 3.48Å; T29-S221 PolarHBondContact O-OG 2.89Å |
| 30 | Q | 83 | Confident | 78.8 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 144.9 | 175.1 | 177.7 | 171.8 | -1.2 | 0 | 0 | 110.8 | E32 N219 | Q30-E32 PolarHBondContact O-N 3.38Å; Q30-N219 HydrophobicContact CB-CB 4.06Å; Q30-N219 HydrophobicContact CG-CB 4.1Å; Q30-N219 PolarHBondContact OE1-ND2 2.95Å; Q30-N219 VanDerWaalsContact OE1-ND2 3.07Å |
| 31 | M | 79.2 | Confident | 78.5 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 41% | 0.409 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -60 | 125 | 172.5 | -164.1 | 171 | 129.5 | 0 | 0 | 110.9 | S33 V220 S221 | M31-S33 PolarHBondContact O-N 3.01Å; M31-V220 PolarHBondContact N-O 3.18Å; M31-S221 WeakPolarHBondContact CA-O 3.36Å; M31-S221 VanDerWaalsContact CB-O 3.27Å; M31-S221 WeakPolarHBondContact CB-O 3.4Å; M31-S221 PolarHBondContact N-O 3.09Å |
| 32 | E | 72.6 | Confident | 78.3 | Confident | 180 Ų | 180 | 84.1 Ų | 84.1 | 84% | 0.841 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 122.8 | 173.5 | -156.1 | 168.7 | -159.2 | 0 | 0 | 109 | Q30 | Q30-E32 PolarHBondContact O-N 3.38Š|
| 33 | S | 65.5 | Low | 78 | Confident | 108 Ų | 108 | 84 Ų | 84 | 76% | 0.755 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 130.1 | -178.1 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | M31 | M31-S33 PolarHBondContact O-N 3.01Š|
| 34 | L | 57.8 | Low | 77.8 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 68% | 0.681 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61 | 148.7 | 176.5 | -86 | 108.6 | 0 | 0 | 0 | 111.7 | V36 | L34-V36 HydrophobicContact CB-CG2 4.04Å; L34-V36 PolarHBondContact O-N 3.17Å |
| 35 | P | 54 | Low | 77.9 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 77% | 0.766 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -68.8 | 6.5 | -174.5 | 27.1 | -35.7 | 0 | 0 | 0 | 115.5 | S37 | P35-S37 PolarHBondContact O-N 3.45Š|
| 36 | V | 58.4 | Low | 77.9 | Confident | 47 Ų | 47 | 82 Ų | 82 | 29% | 0.285 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 23.8 | -179.5 | -140.6 | 0 | 0 | 0 | 0 | 113.1 | L34 G38 L39 F40 L367 | L34-V36 HydrophobicContact CB-CG2 4.04Å; L34-V36 PolarHBondContact O-N 3.17Å; V36-G38 VanDerWaalsContact C-N 3.29Å; V36-G38 PolarHBondContact O-N 3.15Å; V36-L39 PolarHBondContact O-N 3.01Å; V36-F40 HydrophobicContact CB-CD2 3.89Å; V36-F40 HydrophobicContact CB-CE2 3.81Å; V36-F40 HydrophobicContact CG1-CE2 4.45Å; V36-F40 HydrophobicContact CG2-CE2 4.25Å; V36-F40 VanDerWaalsContact O-CD2 3.27Å; V36-F40 WeakPolarHBondContact O-CD2 3.4Å; V36-F40 PolarHBondContact O-N 3.4Å; V36-L367 HydrophobicContact CG1-CD2 3.83Å |
| 37 | S | 69.4 | Low | 78.3 | Confident | 78 Ų | 78 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -34 | -167.5 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | P35 S41 | P35-S37 PolarHBondContact O-N 3.45Å; S37-S41 WeakPolarHBondContact O-CB 3.31Å; S37-S41 PolarHBondContact O-N 3.46Å; S37-S41 PolarHBondContact O-OG 3.41Å |
| 38 | G | 81.4 | Confident | 78.6 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -50.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V36 S41 F42 | V36-G38 VanDerWaalsContact C-N 3.29Å; V36-G38 PolarHBondContact O-N 3.15Å; G38-S41 PolarHBondContact O-N 3.38Å; G38-F42 WeakPolarHBondContact O-CB 3.41Å; G38-F42 PolarHBondContact O-N 3.14Å |
| 39 | L | 80.3 | Confident | 79 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 22% | 0.22 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.1 | -39.7 | -178.2 | -173.9 | 152 | 0 | 0 | 0 | 111.4 | V36 F42 Y43 L367 V371 | V36-L39 PolarHBondContact O-N 3.01Å; L39-F42 PolarHBondContact O-N 3Å; L39-Y43 WeakPolarHBondContact O-CB 3.44Å; L39-Y43 PolarHBondContact O-N 3.13Å; L39-L367 HydrophobicContact CD1-CD2 4.39Å; L39-L367 HydrophobicContact CD1-CG 4.32Å; L39-L367 HydrophobicContact CD2-CG 4.43Å; L39-V371 HydrophobicContact CD1-CG2 4.17Å; L39-V371 HydrophobicContact CD2-CB 4.28Å; L39-V371 HydrophobicContact CD2-CG1 4.17Å; L39-V371 HydrophobicContact CD2-CG2 3.33Å; L39-V371 HydrophobicContact CG-CG1 4.41Å; L39-V371 HydrophobicContact CG-CG2 4.18Å |
| 40 | F | 78.3 | Confident | 79.4 | Confident | 95 Ų | 95 | 75.2 Ų | 75.2 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 173.1 | -78.4 | -68.8 | 0 | 0 | 0 | 112.3 | V36 F42 Y43 R44 F100 | V36-F40 HydrophobicContact CB-CD2 3.89Å; V36-F40 HydrophobicContact CB-CE2 3.81Å; V36-F40 HydrophobicContact CG1-CE2 4.45Å; V36-F40 HydrophobicContact CG2-CE2 4.25Å; V36-F40 VanDerWaalsContact O-CD2 3.27Å; V36-F40 WeakPolarHBondContact O-CD2 3.4Å; V36-F40 PolarHBondContact O-N 3.4Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 3.24Å; F40-Y43 PolarHBondContact O-N 3.38Å; F40-R44 VanDerWaalsContact O-CB 3.3Å; F40-R44 WeakPolarHBondContact O-CB 3.39Å; F40-R44 PolarHBondContact O-N 3.16Å; F40-F100 HydrophobicContact CD1-CZ 4.49Å |
| 41 | S | 83.6 | Confident | 80 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | S37 G38 R44 A45 | S37-S41 WeakPolarHBondContact O-CB 3.31Å; S37-S41 PolarHBondContact O-N 3.46Å; S37-S41 PolarHBondContact O-OG 3.41Å; G38-S41 PolarHBondContact O-N 3.38Å; S41-R44 PolarHBondContact O-N 3.49Å; S41-A45 WeakPolarHBondContact O-CB 3.32Å; S41-A45 PolarHBondContact O-N 3.1Å |
| 42 | F | 86 | Confident | 80.7 | Confident | 113 Ų | 113 | 68.9 Ų | 68.9 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 174.4 | 176.8 | -107.9 | 0 | 0 | 0 | 111.9 | G38 L39 F40 R44 A45 I46 | G38-F42 WeakPolarHBondContact O-CB 3.41Å; G38-F42 PolarHBondContact O-N 3.14Å; L39-F42 PolarHBondContact O-N 3Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 3.24Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.24Å; F42-A45 PolarHBondContact O-N 3.38Å; F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CD2-CD1 4.19Å; F42-I46 HydrophobicContact CE1-CD1 3.28Å; F42-I46 HydrophobicContact CE2-CD1 3.68Å; F42-I46 HydrophobicContact CE2-CG1 4.31Å; F42-I46 HydrophobicContact CG-CD1 4.28Å; F42-I46 HydrophobicContact CZ-CD1 3.21Å; F42-I46 HydrophobicContact CZ-CG1 4.3Å; F42-I46 WeakPolarHBondContact O-CG1 3.3Å; F42-I46 PolarHBondContact O-N 2.76Å |
| 43 | Y | 83.6 | Confident | 81.9 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 177.7 | -171.7 | -99.9 | 0 | 0 | 0 | 112 | L39 F40 I46 G47 V371 N374 Y378 | L39-Y43 WeakPolarHBondContact O-CB 3.44Å; L39-Y43 PolarHBondContact O-N 3.13Å; F40-Y43 PolarHBondContact O-N 3.38Å; Y43-I46 PolarHBondContact O-N 3.47Å; Y43-G47 PolarHBondContact O-N 3.07Å; Y43-V371 HydrophobicContact CD2-CG1 4.25Å; Y43-N374 HydrophobicContact CE2-CB 4.07Å; Y43-Y378 AromaticContact CE2-CE2 3.98Å; Y43-Y378 HydrophobicContact CE2-CE2 3.98Å; Y43-Y378 AromaticContact CZ-CE2 3.95Å; Y43-Y378 WeakPolarHBondContact OH-CE2 3.49Å; Y43-Y378 PolarHBondContact OH-OH 3.26Å |
| 44 | R | 84.7 | Confident | 83.4 | Confident | 63 Ų | 63 | 59 Ų | 59 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 173.8 | -179.5 | -177.8 | 67.9 | -167.6 | -0.5 | 112.1 | F40 S41 F42 I46 G47 L48 F100 S104 | F40-R44 VanDerWaalsContact O-CB 3.3Å; F40-R44 WeakPolarHBondContact O-CB 3.39Å; F40-R44 PolarHBondContact O-N 3.16Å; S41-R44 PolarHBondContact O-N 3.49Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.24Å; R44-I46 VanDerWaalsContact C-N 3.27Å; R44-I46 PolarHBondContact O-N 3.11Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.16Å; R44-L48 HydrophobicContact CG-CD1 4.35Å; R44-L48 WeakPolarHBondContact O-CG 3.43Å; R44-L48 PolarHBondContact O-N 3.4Å; R44-F100 HydrophobicContact CB-CD1 4.19Å; R44-F100 HydrophobicContact CB-CE1 4.43Å; R44-F100 HydrophobicContact CG-CD1 4.08Å; R44-S104 PolarHBondContact NH1-OG 3.2Å |
| 45 | A | 90.1 | Very high | 85.2 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S41 F42 L48 L49 | S41-A45 WeakPolarHBondContact O-CB 3.32Å; S41-A45 PolarHBondContact O-N 3.1Å; F42-A45 PolarHBondContact O-N 3.38Å; A45-L48 PolarHBondContact O-N 2.91Å; A45-L49 PolarHBondContact O-N 3.33Å; A45-L49 VanDerWaalsContact O-N 3.17Å |
| 46 | I | 88.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 174.1 | -76 | 177.1 | 0 | 0 | 0 | 111.5 | F42 Y43 R44 L48 L49 L50 L375 | F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CD2-CD1 4.19Å; F42-I46 HydrophobicContact CE1-CD1 3.28Å; F42-I46 HydrophobicContact CE2-CD1 3.68Å; F42-I46 HydrophobicContact CE2-CG1 4.31Å; F42-I46 HydrophobicContact CG-CD1 4.28Å; F42-I46 HydrophobicContact CZ-CD1 3.21Å; F42-I46 HydrophobicContact CZ-CG1 4.3Å; F42-I46 WeakPolarHBondContact O-CG1 3.3Å; F42-I46 PolarHBondContact O-N 2.76Å; Y43-I46 PolarHBondContact O-N 3.47Å; R44-I46 VanDerWaalsContact C-N 3.27Å; R44-I46 PolarHBondContact O-N 3.11Å; I46-L48 VanDerWaalsContact C-N 3.27Å; I46-L48 PolarHBondContact O-N 2.93Å; I46-L49 PolarHBondContact O-N 2.98Å; I46-L49 VanDerWaalsContact O-N 3.08Å; I46-L50 HydrophobicContact CG2-CD1 3.5Å; I46-L50 VanDerWaalsContact CG2-CD1 3.5Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; I46-L50 WeakPolarHBondContact O-CB 3.27Å; I46-L50 PolarHBondContact O-N 3.39Å; I46-L375 HydrophobicContact CD1-CD1 3.91Å; I46-L375 HydrophobicContact CD1-CD2 4.18Å; I46-L375 HydrophobicContact CG2-CD1 3.61Å |
| 47 | G | 89.4 | Confident | 89.1 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y43 R44 L49 G51 | Y43-G47 PolarHBondContact O-N 3.07Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.16Å; G47-L49 VanDerWaalsContact C-N 3.31Å; G47-L49 PolarHBondContact O-N 3.35Å; G47-G51 PolarHBondContact O-N 3.46Å |
| 48 | L | 92.9 | Very high | 90.4 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.4 | -27.9 | 175.9 | -70.6 | 174.1 | 0 | 0 | 0 | 113.4 | R44 A45 I46 P52 F94 A97 L98 | R44-L48 HydrophobicContact CG-CD1 4.35Å; R44-L48 WeakPolarHBondContact O-CG 3.43Å; R44-L48 PolarHBondContact O-N 3.4Å; A45-L48 PolarHBondContact O-N 2.91Å; I46-L48 VanDerWaalsContact C-N 3.27Å; I46-L48 PolarHBondContact O-N 2.93Å; L48-P52 WeakPolarHBondContact O-CD 3.36Å; L48-P52 VanDerWaalsContact O-CG 3.3Å; L48-P52 WeakPolarHBondContact O-CG 3.48Å; L48-F94 HydrophobicContact CD2-CD2 4.4Å; L48-F94 HydrophobicContact CD2-CE2 4.21Å; L48-A97 HydrophobicContact CD2-CB 3.9Å; L48-A97 HydrophobicContact CG-CB 3.99Å; L48-L98 HydrophobicContact CD2-CD2 3.65Å; L48-L98 HydrophobicContact CD2-CG 3.91Å |
| 49 | L | 94.3 | Very high | 91.2 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 64% | 0.644 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -88.3 | -51.6 | 178.3 | -176.3 | 68.7 | 0 | 0 | 0 | 112.3 | A45 I46 G47 L53 | A45-L49 PolarHBondContact O-N 3.33Å; A45-L49 VanDerWaalsContact O-N 3.17Å; I46-L49 PolarHBondContact O-N 2.98Å; I46-L49 VanDerWaalsContact O-N 3.08Å; G47-L49 VanDerWaalsContact C-N 3.31Å; G47-L49 PolarHBondContact O-N 3.35Å; L49-L53 WeakPolarHBondContact O-CB 3.4Å; L49-L53 PolarHBondContact O-N 3.45Å |
| 50 | L | 93.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -175.8 | -72.6 | -174.4 | 0 | 0 | 0 | 112.6 | I46 L53 N54 L93 L375 L379 | I46-L50 HydrophobicContact CG2-CD1 3.5Å; I46-L50 VanDerWaalsContact CG2-CD1 3.5Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; I46-L50 WeakPolarHBondContact O-CB 3.27Å; I46-L50 PolarHBondContact O-N 3.39Å; L50-L53 HydrophobicContact CD2-CD2 4.39Å; L50-L53 PolarHBondContact O-N 3.28Å; L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 2.96Å; L50-L93 HydrophobicContact CB-CD2 4.43Å; L50-L375 HydrophobicContact CD1-CD1 3.74Å; L50-L379 HydrophobicContact CD1-CD2 4.26Å; L50-L379 HydrophobicContact CD1-CG 4.5Å; L50-L379 HydrophobicContact CD2-CD2 4.18Å |
| 51 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.5 | -56.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G47 T55 G90 | G47-G51 PolarHBondContact O-N 3.46Å; G51-T55 WeakPolarHBondContact O-CB 3.33Å; G51-T55 PolarHBondContact O-N 3.31Å; G51-T55 PolarHBondContact O-OG1 3.48Å; G51-G90 WeakPolarHBondContact CA-O 3.45Å |
| 52 | P | 95.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.7 | -25.7 | 36.5 | 0 | 0 | 0 | 113 | L48 N54 T55 I56 F94 | L48-P52 WeakPolarHBondContact O-CD 3.36Å; L48-P52 VanDerWaalsContact O-CG 3.3Å; L48-P52 WeakPolarHBondContact O-CG 3.48Å; P52-N54 PolarHBondContact O-N 2.96Å; P52-T55 PolarHBondContact O-N 3.23Å; P52-I56 VanDerWaalsContact O-CG1 3.27Å; P52-I56 WeakPolarHBondContact O-CG1 3.47Å; P52-I56 PolarHBondContact O-N 3.18Å; P52-F94 HydrophobicContact CG-CD1 4.44Å; P52-F94 HydrophobicContact CG-CD2 3.37Å; P52-F94 HydrophobicContact CG-CE1 4.48Å; P52-F94 HydrophobicContact CG-CE2 3.43Å; P52-F94 VanDerWaalsContact CG-CE2 3.43Å; P52-F94 HydrophobicContact CG-CG 3.9Å; P52-F94 HydrophobicContact CG-CZ 4Å |
| 53 | L | 96.6 | Very high | 93.8 | Very high | 74 Ų | 74 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 179.8 | 180 | 62.4 | 0 | 0 | 0 | 111.4 | L49 L50 T55 I56 L57 T382 | L49-L53 WeakPolarHBondContact O-CB 3.4Å; L49-L53 PolarHBondContact O-N 3.45Å; L50-L53 HydrophobicContact CD2-CD2 4.39Å; L50-L53 PolarHBondContact O-N 3.28Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 3.45Å; L53-I56 PolarHBondContact O-N 2.94Å; L53-L57 HydrophobicContact CD1-CD1 3.86Å; L53-L57 HydrophobicContact CD1-CG 4.12Å; L53-L57 HydrophobicContact CG-CD1 3.93Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.44Å; L53-T382 HydrophobicContact CD2-CG2 3.88Å; L53-T382 HydrophobicContact CG-CG2 3.94Å |
| 54 | N | 96.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 176.6 | -176.9 | 57.1 | 0 | 0 | 0 | 111.5 | L50 P52 N58 E86 G90 S381 T382 | L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 2.96Å; P52-N54 PolarHBondContact O-N 2.96Å; N54-N58 VanDerWaalsContact O-CB 3.3Å; N54-N58 WeakPolarHBondContact O-CB 3.45Å; N54-N58 PolarHBondContact O-N 2.96Å; N54-N58 PolarHBondContact O-ND2 2.79Å; N54-N58 PolarHBondContact OD1-ND2 2.99Å; N54-E86 PolarHBondContact ND2-O 3.22Å; N54-G90 WeakPolarHBondContact ND2-CA 3.23Å; N54-G90 PolarHBondContact ND2-N 2.96Å; N54-S381 PolarHBondContact ND2-OG 3.16Å; N54-S381 PolarHBondContact OD1-O 3.16Å; N54-S381 PolarHBondContact OD1-OG 3.28Å; N54-T382 WeakPolarHBondContact OD1-CA 3.39Å; N54-T382 PolarHBondContact OD1-N 2.85Å |
| 55 | T | 96.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | G51 P52 L53 G59 L87 L91 | G51-T55 WeakPolarHBondContact O-CB 3.33Å; G51-T55 PolarHBondContact O-N 3.31Å; G51-T55 PolarHBondContact O-OG1 3.48Å; P52-T55 PolarHBondContact O-N 3.23Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 3.45Å; T55-G59 PolarHBondContact O-N 3.01Å; T55-L87 HydrophobicContact CG2-CD2 4.33Å; T55-L87 HydrophobicContact CG2-CG 4.17Å; T55-L91 PolarHBondContact OG1-N 2.93Å |
| 56 | I | 96.8 | Very high | 94.9 | Very high | 120 Ų | 120 | 38 Ų | 38 | 62% | 0.615 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.4 | -49.4 | 179 | -68.5 | 164.7 | 0 | 0 | 0 | 110.6 | P52 L53 N58 G59 L60 | P52-I56 VanDerWaalsContact O-CG1 3.27Å; P52-I56 WeakPolarHBondContact O-CG1 3.47Å; P52-I56 PolarHBondContact O-N 3.18Å; L53-I56 PolarHBondContact O-N 2.94Å; I56-N58 PolarHBondContact O-N 2.84Å; I56-G59 PolarHBondContact O-N 3.36Å; I56-L60 PolarHBondContact O-N 3.03Å |
| 57 | L | 96.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | -178 | -71.8 | 175.8 | 0 | 0 | 0 | 111.9 | L53 L60 C61 T382 A385 F386 | L53-L57 HydrophobicContact CD1-CD1 3.86Å; L53-L57 HydrophobicContact CD1-CG 4.12Å; L53-L57 HydrophobicContact CG-CD1 3.93Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.44Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-C61 PolarHBondContact O-N 2.95Å; L57-C61 PolarHBondContact O-SG 2.87Å; L57-T382 HydrophobicContact CD1-CG2 3.76Å; L57-A385 HydrophobicContact CB-CB 3.94Å; L57-A385 HydrophobicContact CD2-CB 4.22Å; L57-A385 HydrophobicContact CG-CB 4.48Å; L57-F386 HydrophobicContact CD1-CE2 3.65Å; L57-F386 HydrophobicContact CD1-CZ 4.18Å; L57-F386 HydrophobicContact CD2-CZ 4.48Å |
| 58 | N | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.8 | -33.1 | 176.3 | -82.5 | -68.1 | 0 | 0 | 0 | 112.6 | N54 I56 L60 C61 V62 S83 E86 L87 S381 | N54-N58 VanDerWaalsContact O-CB 3.3Å; N54-N58 WeakPolarHBondContact O-CB 3.45Å; N54-N58 PolarHBondContact O-N 2.96Å; N54-N58 PolarHBondContact O-ND2 2.79Å; N54-N58 PolarHBondContact OD1-ND2 2.99Å; I56-N58 PolarHBondContact O-N 2.84Å; N58-L60 VanDerWaalsContact C-N 3.32Å; N58-L60 PolarHBondContact O-N 3.04Å; N58-C61 WeakPolarHBondContact O-CB 3.38Å; N58-C61 PolarHBondContact O-N 2.94Å; N58-V62 WeakPolarHBondContact O-CG2 3.48Å; N58-V62 PolarHBondContact O-N 3.48Å; N58-S83 PolarHBondContact OD1-OG 3.3Å; N58-E86 HydrophobicContact CB-CB 4.4Å; N58-E86 PolarHBondContact OD1-OE2 3.22Å; N58-L87 HydrophobicContact CB-CB 4.11Å; N58-S381 PolarHBondContact ND2-O 3.18Å |
| 59 | G | 96.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.3 | -45 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T55 I56 V62 H63 | T55-G59 PolarHBondContact O-N 3.01Å; I56-G59 PolarHBondContact O-N 3.36Å; G59-V62 PolarHBondContact O-N 3.29Å; G59-H63 PolarHBondContact O-N 3.27Å |
| 60 | L | 95.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.7 | -179.7 | 63.9 | 0 | 0 | 0 | 111.9 | I56 L57 N58 V62 H63 I64 | I56-L60 PolarHBondContact O-N 3.03Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.03Å; N58-L60 VanDerWaalsContact C-N 3.32Å; N58-L60 PolarHBondContact O-N 3.04Å; L60-V62 PolarHBondContact O-N 2.99Å; L60-H63 WeakPolarHBondContact O-CB 3.37Å; L60-H63 PolarHBondContact O-N 3.04Å; L60-I64 HydrophobicContact CD1-CD1 4.06Å; L60-I64 HydrophobicContact CD1-CG1 4.34Å; L60-I64 HydrophobicContact CG-CD1 3.87Å; L60-I64 WeakPolarHBondContact O-CG1 2.98Å; L60-I64 PolarHBondContact O-N 3.31Å |
| 61 | C | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.3 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | L57 N58 H63 I64 F65 S83 A385 Y388 | L57-C61 PolarHBondContact O-N 2.95Å; L57-C61 PolarHBondContact O-SG 2.87Å; N58-C61 WeakPolarHBondContact O-CB 3.38Å; N58-C61 PolarHBondContact O-N 2.94Å; C61-H63 VanDerWaalsContact C-N 3.32Å; C61-H63 PolarHBondContact O-N 3.42Å; C61-I64 PolarHBondContact O-N 3.36Å; C61-F65 HydrophobicContact CB-CD2 4.37Å; C61-F65 HydrophobicContact CB-CE2 4.18Å; C61-F65 WeakPolarHBondContact O-CD2 3.43Å; C61-F65 WeakPolarHBondContact O-CG 3.34Å; C61-F65 PolarHBondContact O-N 3.48Å; C61-S83 VanDerWaalsContact CB-OG 3.31Å; C61-S83 WeakPolarHBondContact CB-OG 3.48Å; C61-A385 VanDerWaalsContact SG-CB 3.55Å; C61-Y388 HydrophobicContact CB-CD2 4.29Å; C61-Y388 HydrophobicContact CB-CE2 4.2Å |
| 62 | V | 96.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | N58 G59 L60 F65 N66 I84 | N58-V62 WeakPolarHBondContact O-CG2 3.48Å; N58-V62 PolarHBondContact O-N 3.48Å; G59-V62 PolarHBondContact O-N 3.29Å; L60-V62 PolarHBondContact O-N 2.99Å; V62-F65 PolarHBondContact O-N 2.73Å; V62-N66 VanDerWaalsContact O-CG 3.28Å; V62-N66 PolarHBondContact O-N 2.94Å; V62-N66 VanDerWaalsContact O-N 3.1Å; V62-N66 PolarHBondContact O-ND2 3.38Å; V62-I84 HydrophobicContact CG1-CG1 4.25Å; V62-I84 HydrophobicContact CG2-CG1 3.66Å |
| 63 | H | 95.3 | Very high | 93.4 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 175.5 | -177.6 | 65.3 | 0 | 0 | 0 | 111.8 | G59 L60 C61 F65 N66 E402 | G59-H63 PolarHBondContact O-N 3.27Å; L60-H63 WeakPolarHBondContact O-CB 3.37Å; L60-H63 PolarHBondContact O-N 3.04Å; C61-H63 VanDerWaalsContact C-N 3.32Å; C61-H63 PolarHBondContact O-N 3.42Å; H63-F65 PolarHBondContact O-N 2.92Å; H63-N66 WeakPolarHBondContact O-CB 3.31Å; H63-N66 PolarHBondContact O-N 3.34Å; H63-N66 VanDerWaalsContact O-N 3.08Å; H63-E402 IonicContact CD2-OE2 2.66Å; H63-E402 IonicContact CE1-OE2 3.79Å; H63-E402 IonicContact NE2-OE1 3.9Å; H63-E402 IonicContact NE2-OE2 2.81Å; H63-E402 PolarHBondContact NE2-OE2 3.23Å |
| 64 | I | 94.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 179.6 | -67 | 165.2 | 0 | 0 | 0 | 111.4 | L60 C61 N66 H67 F395 I398 A399 | L60-I64 HydrophobicContact CD1-CD1 4.06Å; L60-I64 HydrophobicContact CD1-CG1 4.34Å; L60-I64 HydrophobicContact CG-CD1 3.87Å; L60-I64 WeakPolarHBondContact O-CG1 2.98Å; L60-I64 PolarHBondContact O-N 3.31Å; C61-I64 PolarHBondContact O-N 3.36Å; I64-N66 PolarHBondContact O-N 3.49Å; I64-H67 WeakPolarHBondContact O-CB 3.34Å; I64-H67 PolarHBondContact O-N 3.48Å; I64-H67 VanDerWaalsContact O-N 3.07Å; I64-F395 HydrophobicContact CB-CD2 4.44Å; I64-F395 HydrophobicContact CB-CE2 3.87Å; I64-F395 HydrophobicContact CB-CZ 4.11Å; I64-F395 HydrophobicContact CD1-CD1 4.4Å; I64-F395 HydrophobicContact CD1-CE1 3.64Å; I64-F395 HydrophobicContact CD1-CE2 4.1Å; I64-F395 HydrophobicContact CD1-CZ 3.46Å; I64-F395 VanDerWaalsContact CD1-CZ 3.46Å; I64-F395 HydrophobicContact CG1-CZ 4.4Å; I64-F395 HydrophobicContact CG2-CD2 3.55Å; I64-F395 HydrophobicContact CG2-CE2 3.47Å; I64-F395 VanDerWaalsContact CG2-CE2 3.47Å; I64-F395 HydrophobicContact CG2-CG 4.13Å; I64-F395 HydrophobicContact CG2-CZ 4.01Å; I64-I398 HydrophobicContact CG2-CB 4.29Å; I64-I398 HydrophobicContact CG2-CG2 3.97Å; I64-A399 HydrophobicContact CD1-CB 3.76Å |
| 65 | F | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.6 | -14.4 | 177.6 | -68.6 | -51.8 | 0 | 0 | 0 | 113.8 | C61 V62 H63 H67 W70 L79 K80 Y388 F395 | C61-F65 HydrophobicContact CB-CD2 4.37Å; C61-F65 HydrophobicContact CB-CE2 4.18Å; C61-F65 WeakPolarHBondContact O-CD2 3.43Å; C61-F65 WeakPolarHBondContact O-CG 3.34Å; C61-F65 PolarHBondContact O-N 3.48Å; V62-F65 PolarHBondContact O-N 2.73Å; H63-F65 PolarHBondContact O-N 2.92Å; F65-H67 VanDerWaalsContact C-N 3.28Å; F65-W70 HydrophobicContact CD1-CD2 4.17Å; F65-W70 HydrophobicContact CD1-CG 4.32Å; F65-W70 HydrophobicContact CE1-CZ2 4.48Å; F65-L79 HydrophobicContact CD2-CB 4.35Å; F65-L79 HydrophobicContact CE1-CB 4.09Å; F65-L79 HydrophobicContact CE1-CD1 4.1Å; F65-L79 HydrophobicContact CE2-CB 3.71Å; F65-L79 HydrophobicContact CZ-CB 3.57Å; F65-L79 HydrophobicContact CZ-CD1 3.88Å; F65-L79 HydrophobicContact CZ-CG 4.35Å; F65-K80 HydrophobicContact CB-CB 3.82Å; F65-K80 HydrophobicContact CB-CG 4.21Å; F65-K80 HydrophobicContact CD2-CB 4.32Å; F65-K80 HydrophobicContact CG-CB 4.32Å; F65-Y388 AromaticContact CE2-CD2 3.9Å; F65-Y388 HydrophobicContact CE2-CD2 3.9Å; F65-Y388 AromaticContact CE2-CE2 3.75Å; F65-Y388 HydrophobicContact CE2-CE2 3.75Å; F65-Y388 AromaticContact CZ-CD2 3.83Å; F65-Y388 HydrophobicContact CZ-CD2 3.83Å; F65-Y388 AromaticContact CZ-CE2 3.99Å; F65-Y388 HydrophobicContact CZ-CE2 3.99Å; F65-Y388 HydrophobicContact CZ-CG 4.29Å; F65-F395 HydrophobicContact CD1-CE2 4.46Å; F65-F395 AromaticContact CE1-CD2 3.87Å; F65-F395 HydrophobicContact CE1-CD2 3.87Å; F65-F395 AromaticContact CE1-CE2 3.92Å; F65-F395 HydrophobicContact CE1-CE2 3.92Å; F65-F395 HydrophobicContact CE2-CE2 4.11Å; F65-F395 HydrophobicContact CZ-CD2 4.03Å; F65-F395 AromaticContact CZ-CE2 3.72Å; F65-F395 HydrophobicContact CZ-CE2 3.72Å |
| 66 | N | 92.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -76.6 | -15.3 | 169.9 | -76.1 | -33 | 0 | 0 | 0 | 113.3 | V62 H63 I64 K71 K80 | V62-N66 VanDerWaalsContact O-CG 3.28Å; V62-N66 PolarHBondContact O-N 2.94Å; V62-N66 VanDerWaalsContact O-N 3.1Å; V62-N66 PolarHBondContact O-ND2 3.38Å; H63-N66 WeakPolarHBondContact O-CB 3.31Å; H63-N66 PolarHBondContact O-N 3.34Å; H63-N66 VanDerWaalsContact O-N 3.08Å; I64-N66 PolarHBondContact O-N 3.49Å; N66-K71 WeakPolarHBondContact O-CE 2.98Å; N66-K80 WeakPolarHBondContact OD1-CE 3.35Å; N66-K80 PolarHBondContact OD1-NZ 3.26Å |
| 67 | H | 92.7 | Very high | 92.6 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -57.7 | 144.5 | 179.7 | -167.4 | -86.9 | 0 | 0 | 0 | 111.6 | I64 F65 S69 W70 K71 I398 | I64-H67 WeakPolarHBondContact O-CB 3.34Å; I64-H67 PolarHBondContact O-N 3.48Å; I64-H67 VanDerWaalsContact O-N 3.07Å; F65-H67 VanDerWaalsContact C-N 3.28Å; H67-S69 PolarHBondContact CE1-OG 2.97Å; H67-S69 VanDerWaalsContact CE1-OG 3.24Å; H67-S69 PolarHBondContact ND1-N 2.94Å; H67-S69 PolarHBondContact ND1-OG 3.35Å; H67-S69 PolarHBondContact O-N 3.24Å; H67-S69 VanDerWaalsContact O-N 3.16Å; H67-W70 PolarHBondContact O-N 3.5Å; H67-K71 PolarHBondContact O-N 2.67Å; H67-I398 HydrophobicContact CB-CD1 4.15Å; H67-I398 HydrophobicContact CB-CG2 3.98Å |
| 68 | S | 89.8 | Confident | 92.6 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 57% | 0.566 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -55.1 | -38.1 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | W70 K71 | S68-W70 PolarHBondContact O-N 3.23Å; S68-W70 VanDerWaalsContact O-N 3.17Å; S68-K71 PolarHBondContact O-N 2.94Å |
| 69 | S | 88.3 | Confident | 92.5 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.1 | -27.6 | 176.5 | -47.2 | 0 | 0 | 0 | 0 | 113.9 | H67 | H67-S69 PolarHBondContact CE1-OG 2.97Å; H67-S69 VanDerWaalsContact CE1-OG 3.24Å; H67-S69 PolarHBondContact ND1-N 2.94Å; H67-S69 PolarHBondContact ND1-OG 3.35Å; H67-S69 PolarHBondContact O-N 3.24Å; H67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | W | 87.6 | Confident | 92.5 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -96.5 | -24.9 | -176 | -78.2 | 115.8 | 0 | 0 | 0 | 113.3 | F65 H67 S68 K72 S73 M75 S76 L394 F395 I398 | F65-W70 HydrophobicContact CD1-CD2 4.17Å; F65-W70 HydrophobicContact CD1-CG 4.32Å; F65-W70 HydrophobicContact CE1-CZ2 4.48Å; H67-W70 PolarHBondContact O-N 3.5Å; S68-W70 PolarHBondContact O-N 3.23Å; S68-W70 VanDerWaalsContact O-N 3.17Å; W70-K72 PolarHBondContact O-N 3.37Å; W70-S73 PolarHBondContact O-N 3.26Å; W70-M75 HydrophobicContact CH2-CE 4.11Å; W70-M75 HydrophobicContact CZ3-CE 3.57Å; W70-S76 WeakPolarHBondContact CB-OG 3.15Å; W70-S76 WeakPolarHBondContact O-CB 3.3Å; W70-L394 HydrophobicContact CD2-CD2 4.14Å; W70-L394 HydrophobicContact CE3-CD2 4.43Å; W70-L394 HydrophobicContact CH2-CD2 4.37Å; W70-L394 HydrophobicContact CZ2-CB 4.12Å; W70-L394 HydrophobicContact CZ2-CD2 3.97Å; W70-L394 HydrophobicContact CZ2-CG 4.03Å; W70-F395 HydrophobicContact CZ2-CB 3.95Å; W70-F395 HydrophobicContact CZ2-CD2 4.3Å; W70-I398 VanDerWaalsContact CD1-CD1 3.47Å; W70-I398 VanDerWaalsContact NE1-CD1 3.32Å |
| 71 | K | 84.2 | Confident | 92.6 | Very high | 124 Ų | 124 | 44.6 Ų | 44.6 | 54% | 0.539 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -50.2 | -41.6 | -172.6 | -74.7 | -176.6 | -176.9 | 179.4 | 0 | 113.1 | N66 H67 S68 S73 R184 | N66-K71 WeakPolarHBondContact O-CE 2.98Å; H67-K71 PolarHBondContact O-N 2.67Å; S68-K71 PolarHBondContact O-N 2.94Å; K71-S73 VanDerWaalsContact C-N 3.33Å; K71-S73 PolarHBondContact O-N 3.01Å; K71-R184 PolarHBondContact O-NE 3.37Å; K71-R184 PolarHBondContact O-NH2 3.29Å |
| 72 | K | 86 | Confident | 92.6 | Very high | 179 Ų | 179 | 44.6 Ų | 44.6 | 78% | 0.778 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19 | -175.2 | -66 | -175.9 | 179.8 | 179.6 | 0 | 114 | W70 | W70-K72 PolarHBondContact O-N 3.37Š|
| 73 | S | 89.4 | Confident | 92.7 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | trans | -82.9 | 130.4 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | W70 K71 M75 S76 R77 | W70-S73 PolarHBondContact O-N 3.26Å; K71-S73 VanDerWaalsContact C-N 3.33Å; K71-S73 PolarHBondContact O-N 3.01Å; S73-M75 PolarHBondContact OG-N 3.46Å; S73-S76 PolarHBondContact O-N 3.37Å; S73-S76 PolarHBondContact OG-N 3.31Å; S73-R77 PolarHBondContact O-N 3.41Å | ||
| 74 | I | 92.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 173.8 | -59.1 | 172.3 | 0 | 0 | 0 | 110.1 | S76 R77 I78 Y167 R184 I187 | I74-S76 VanDerWaalsContact C-N 3.25Å; I74-S76 PolarHBondContact O-N 2.92Å; I74-R77 WeakPolarHBondContact O-CB 3.16Å; I74-R77 PolarHBondContact O-N 2.95Å; I74-I78 HydrophobicContact CG2-CD1 4.46Å; I74-I78 PolarHBondContact O-N 3.32Å; I74-I78 VanDerWaalsContact O-N 3.13Å; I74-Y167 HydrophobicContact CB-CE2 3.66Å; I74-Y167 HydrophobicContact CD1-CE2 4.05Å; I74-Y167 HydrophobicContact CG1-CE2 4.46Å; I74-Y167 HydrophobicContact CG2-CD2 3.8Å; I74-Y167 HydrophobicContact CG2-CE2 3.36Å; I74-R184 HydrophobicContact CD1-CB 4.33Å; I74-R184 HydrophobicContact CG1-CB 3.83Å; I74-R184 HydrophobicContact CG1-CG 4.12Å; I74-I187 HydrophobicContact CG2-CD1 4.02Å; I74-I187 HydrophobicContact CG2-CG1 3.68Å |
| 75 | M | 91.2 | Very high | 93 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.4 | -44.5 | 174.8 | 179.7 | -170 | 75.3 | 0 | 0 | 111.3 | W70 S73 R77 I78 L79 L164 Y167 G330 L333 M334 | W70-M75 HydrophobicContact CH2-CE 4.11Å; W70-M75 HydrophobicContact CZ3-CE 3.57Å; S73-M75 PolarHBondContact OG-N 3.46Å; M75-R77 VanDerWaalsContact C-N 3.3Å; M75-R77 PolarHBondContact O-N 2.99Å; M75-I78 PolarHBondContact O-N 2.87Å; M75-L79 HydrophobicContact CE-CD1 4.34Å; M75-L79 HydrophobicContact CG-CD1 3.93Å; M75-L79 HydrophobicContact CG-CG 4.35Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.15Å; M75-L79 HydrophobicContact SD-CD1 4.44Å; M75-L164 HydrophobicContact CG-CD1 4.43Å; M75-Y167 HydrophobicContact CB-CE1 4.06Å; M75-G330 VanDerWaalsContact SD-CA 3.57Å; M75-L333 HydrophobicContact CE-CD2 3.8Å; M75-L333 HydrophobicContact SD-CD2 4.21Å; M75-M334 HydrophobicContact CB-SD 4.3Å; M75-M334 HydrophobicContact CG-CG 3.73Å; M75-M334 HydrophobicContact CG-SD 3.74Å; M75-M334 HydrophobicContact SD-CE 4.24Å; M75-M334 HydrophobicContact SD-CG 3.46Å; M75-M334 WeakPolarHBondContact SD-CG 3.14Å; M75-M334 HydrophobicContact SD-SD 3.8Å |
| 76 | S | 92.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -34.6 | 178 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | W70 S73 I74 L79 K80 | W70-S76 WeakPolarHBondContact CB-OG 3.15Å; W70-S76 WeakPolarHBondContact O-CB 3.3Å; S73-S76 PolarHBondContact O-N 3.37Å; S73-S76 PolarHBondContact OG-N 3.31Å; I74-S76 VanDerWaalsContact C-N 3.25Å; I74-S76 PolarHBondContact O-N 2.92Å; S76-L79 PolarHBondContact O-N 3.27Å; S76-K80 WeakPolarHBondContact O-CB 3.3Å; S76-K80 PolarHBondContact O-N 2.97Å |
| 77 | R | 94.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 175.1 | -70.3 | -170.5 | 172.3 | -162.1 | -4.4 | 111.9 | S73 I74 M75 G81 R184 I187 | S73-R77 PolarHBondContact O-N 3.41Å; I74-R77 WeakPolarHBondContact O-CB 3.16Å; I74-R77 PolarHBondContact O-N 2.95Å; M75-R77 VanDerWaalsContact C-N 3.3Å; M75-R77 PolarHBondContact O-N 2.99Å; R77-G81 PolarHBondContact O-N 3.44Å; R77-R184 PolarHBondContact NH1-O 3.04Å; R77-R184 VanDerWaalsContact NH2-CZ 3.32Å; R77-R184 VanDerWaalsContact NH2-NH2 3.15Å; R77-I187 HydrophobicContact CB-CG2 4.07Å |
| 78 | I | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 175.4 | -60.1 | 171.3 | 0 | 0 | 0 | 109.6 | I74 M75 K80 G81 L82 L163 L164 Y167 I187 | I74-I78 HydrophobicContact CG2-CD1 4.46Å; I74-I78 PolarHBondContact O-N 3.32Å; I74-I78 VanDerWaalsContact O-N 3.13Å; M75-I78 PolarHBondContact O-N 2.87Å; I78-K80 PolarHBondContact O-N 3.09Å; I78-G81 WeakPolarHBondContact O-CA 3.48Å; I78-G81 PolarHBondContact O-N 3.19Å; I78-G81 VanDerWaalsContact O-N 3.12Å; I78-L82 WeakPolarHBondContact O-CB 3.33Å; I78-L82 PolarHBondContact O-N 3.45Å; I78-L163 HydrophobicContact CD1-CG 4.32Å; I78-L163 HydrophobicContact CG1-CD2 4.4Å; I78-L163 HydrophobicContact CG2-CD2 4.45Å; I78-L163 HydrophobicContact CG2-CG 4.46Å; I78-L164 HydrophobicContact CB-CD1 4.2Å; I78-L164 HydrophobicContact CD1-CD1 4.45Å; I78-L164 HydrophobicContact CG2-CB 4.01Å; I78-L164 HydrophobicContact CG2-CD1 3.8Å; I78-Y167 HydrophobicContact CD1-CD1 4.02Å; I78-Y167 HydrophobicContact CD1-CD2 4.22Å; I78-Y167 HydrophobicContact CD1-CG 3.67Å; I78-I187 HydrophobicContact CD1-CD1 4.2Å; I78-I187 HydrophobicContact CG1-CD1 4.18Å; I78-I187 HydrophobicContact CG1-CG1 4.42Å; I78-I187 HydrophobicContact CG1-CG2 3.7Å |
| 79 | L | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | -179.9 | -66.1 | 175.3 | 0 | 0 | 0 | 112.9 | F65 M75 S76 G81 L82 S83 L164 L333 Y388 | F65-L79 HydrophobicContact CD2-CB 4.35Å; F65-L79 HydrophobicContact CE1-CB 4.09Å; F65-L79 HydrophobicContact CE1-CD1 4.1Å; F65-L79 HydrophobicContact CE2-CB 3.71Å; F65-L79 HydrophobicContact CZ-CB 3.57Å; F65-L79 HydrophobicContact CZ-CD1 3.88Å; F65-L79 HydrophobicContact CZ-CG 4.35Å; M75-L79 HydrophobicContact CE-CD1 4.34Å; M75-L79 HydrophobicContact CG-CD1 3.93Å; M75-L79 HydrophobicContact CG-CG 4.35Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.15Å; M75-L79 HydrophobicContact SD-CD1 4.44Å; S76-L79 PolarHBondContact O-N 3.27Å; L79-G81 VanDerWaalsContact C-N 3.35Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.32Å; L79-S83 PolarHBondContact O-N 3.46Å; L79-S83 PolarHBondContact O-OG 3.24Å; L79-L164 HydrophobicContact CD2-CD1 4.21Å; L79-L164 HydrophobicContact CD2-CD2 3.92Å; L79-L164 HydrophobicContact CG-CD1 4.47Å; L79-L333 HydrophobicContact CD1-CD2 3.48Å; L79-L333 VanDerWaalsContact CD1-CD2 3.48Å; L79-L333 HydrophobicContact CD1-CG 4.16Å; L79-Y388 HydrophobicContact CD2-CE1 4.03Å |
| 80 | K | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61 | -45.7 | 171.7 | -178.7 | -176.9 | 166.4 | -177.3 | 0 | 111.1 | F65 N66 S76 I78 S83 I84 | F65-K80 HydrophobicContact CB-CB 3.82Å; F65-K80 HydrophobicContact CB-CG 4.21Å; F65-K80 HydrophobicContact CD2-CB 4.32Å; F65-K80 HydrophobicContact CG-CB 4.32Å; N66-K80 WeakPolarHBondContact OD1-CE 3.35Å; N66-K80 PolarHBondContact OD1-NZ 3.26Å; S76-K80 WeakPolarHBondContact O-CB 3.3Å; S76-K80 PolarHBondContact O-N 2.97Å; I78-K80 PolarHBondContact O-N 3.09Å; K80-S83 PolarHBondContact O-N 3.49Å; K80-I84 HydrophobicContact CG-CD1 4.2Å; K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 2.84Å |
| 81 | G | 97.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R77 I78 L79 S83 I84 I85 | R77-G81 PolarHBondContact O-N 3.44Å; I78-G81 WeakPolarHBondContact O-CA 3.48Å; I78-G81 PolarHBondContact O-N 3.19Å; I78-G81 VanDerWaalsContact O-N 3.12Å; L79-G81 VanDerWaalsContact C-N 3.35Å; G81-S83 PolarHBondContact O-N 3.06Å; G81-I84 PolarHBondContact O-N 3.02Å; G81-I85 WeakPolarHBondContact O-CG1 3.21Å; G81-I85 PolarHBondContact O-N 3.43Å |
| 82 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.1 | -49 | 174.3 | 179.8 | 60.5 | 0 | 0 | 0 | 111.1 | I78 L79 I84 I85 E86 R157 V161 V337 | I78-L82 WeakPolarHBondContact O-CB 3.33Å; I78-L82 PolarHBondContact O-N 3.45Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.32Å; L82-I84 VanDerWaalsContact C-N 3.32Å; L82-I84 PolarHBondContact O-N 3.46Å; L82-I85 WeakPolarHBondContact O-CB 3.44Å; L82-I85 PolarHBondContact O-N 3.01Å; L82-I85 VanDerWaalsContact O-N 3.15Å; L82-E86 HydrophobicContact CD1-CG 4.21Å; L82-E86 WeakPolarHBondContact O-CB 3.25Å; L82-E86 WeakPolarHBondContact O-CG 3.5Å; L82-E86 PolarHBondContact O-N 3.31Å; L82-R157 HydrophobicContact CD1-CB 4.34Å; L82-R157 HydrophobicContact CD1-CG 3.6Å; L82-V161 HydrophobicContact CD1-CG2 4.24Å; L82-V161 HydrophobicContact CD2-CG2 4.23Å; L82-V337 HydrophobicContact CD2-CG1 4.39Å |
| 83 | S | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -31 | 177.1 | -65.5 | 0 | 0 | 0 | 0 | 114 | N58 C61 L79 K80 G81 L87 | N58-S83 PolarHBondContact OD1-OG 3.3Å; C61-S83 VanDerWaalsContact CB-OG 3.31Å; C61-S83 WeakPolarHBondContact CB-OG 3.48Å; L79-S83 PolarHBondContact O-N 3.46Å; L79-S83 PolarHBondContact O-OG 3.24Å; K80-S83 PolarHBondContact O-N 3.49Å; G81-S83 PolarHBondContact O-N 3.06Å; S83-L87 VanDerWaalsContact O-CB 3.26Å; S83-L87 WeakPolarHBondContact O-CB 3.23Å; S83-L87 PolarHBondContact O-N 2.66Å |
| 84 | I | 98.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 25 Ų | 25 | 44% | 0.441 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 173 | -69 | 166.4 | 0 | 0 | 0 | 110.6 | V62 K80 G81 L82 L87 G88 | V62-I84 HydrophobicContact CG1-CG1 4.25Å; V62-I84 HydrophobicContact CG2-CG1 3.66Å; K80-I84 HydrophobicContact CG-CD1 4.2Å; K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 2.84Å; G81-I84 PolarHBondContact O-N 3.02Å; L82-I84 VanDerWaalsContact C-N 3.32Å; L82-I84 PolarHBondContact O-N 3.46Å; I84-L87 PolarHBondContact O-N 3.03Å; I84-G88 PolarHBondContact O-N 3.38Å; I84-G88 VanDerWaalsContact O-N 3.1Å |
| 85 | I | 98.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.9 | -68.7 | 166.1 | 0 | 0 | 0 | 110 | G81 L82 G88 M89 F153 R157 S160 L191 | G81-I85 WeakPolarHBondContact O-CG1 3.21Å; G81-I85 PolarHBondContact O-N 3.43Å; L82-I85 WeakPolarHBondContact O-CB 3.44Å; L82-I85 PolarHBondContact O-N 3.01Å; L82-I85 VanDerWaalsContact O-N 3.15Å; I85-G88 PolarHBondContact O-N 2.85Å; I85-M89 PolarHBondContact O-N 2.89Å; I85-F153 HydrophobicContact CG2-CB 4.36Å; I85-F153 HydrophobicContact CG2-CD1 4.02Å; I85-F153 VanDerWaalsContact CG2-O 3.27Å; I85-F153 WeakPolarHBondContact CG2-O 3.47Å; I85-F153 WeakPolarHBondContact O-CD1 3.44Å; I85-R157 HydrophobicContact CG2-CB 3.81Å; I85-S160 VanDerWaalsContact CD1-OG 3.22Å; I85-S160 WeakPolarHBondContact CD1-OG 3.33Å; I85-L191 HydrophobicContact CD1-CD2 4.35Å |
| 86 | E | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 179.1 | -72.5 | 179.6 | 156.4 | 0 | 0 | 112.7 | N54 N58 L82 M89 G90 R157 S381 N384 | N54-E86 PolarHBondContact ND2-O 3.22Å; N58-E86 HydrophobicContact CB-CB 4.4Å; N58-E86 PolarHBondContact OD1-OE2 3.22Å; L82-E86 HydrophobicContact CD1-CG 4.21Å; L82-E86 WeakPolarHBondContact O-CB 3.25Å; L82-E86 WeakPolarHBondContact O-CG 3.5Å; L82-E86 PolarHBondContact O-N 3.31Å; E86-M89 WeakPolarHBondContact O-CB 3.26Å; E86-M89 PolarHBondContact O-N 3.29Å; E86-G90 PolarHBondContact O-N 3.42Å; E86-R157 HydrophobicContact CG-CG 3.87Å; E86-R157 WeakPolarHBondContact OE1-CG 3.39Å; E86-R157 IonicContact OE1-NE 3.77Å; E86-R157 PolarHBondContact OE1-NE 2.76Å; E86-S381 WeakPolarHBondContact CB-OG 3.48Å; E86-S381 WeakPolarHBondContact CG-OG 3.48Å; E86-N384 PolarHBondContact OE1-ND2 2.89Å; E86-N384 PolarHBondContact OE2-ND2 3.46Å |
| 87 | L | 97.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 28% | 0.283 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 169 | -173.9 | 163.2 | 0 | 0 | 0 | 110.8 | T55 N58 S83 I84 M89 G90 L91 | T55-L87 HydrophobicContact CG2-CD2 4.33Å; T55-L87 HydrophobicContact CG2-CG 4.17Å; N58-L87 HydrophobicContact CB-CB 4.11Å; S83-L87 VanDerWaalsContact O-CB 3.26Å; S83-L87 WeakPolarHBondContact O-CB 3.23Å; S83-L87 PolarHBondContact O-N 2.66Å; I84-L87 PolarHBondContact O-N 3.03Å; L87-M89 VanDerWaalsContact C-N 3.29Å; L87-M89 PolarHBondContact O-N 3.46Å; L87-G90 PolarHBondContact O-N 2.91Å; L87-L91 PolarHBondContact O-N 3.42Å |
| 88 | G | 97 | Very high | 95.6 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I84 I85 L91 S92 F153 | I84-G88 PolarHBondContact O-N 3.38Å; I84-G88 VanDerWaalsContact O-N 3.1Å; I85-G88 PolarHBondContact O-N 2.85Å; G88-L91 PolarHBondContact O-N 2.88Å; G88-S92 WeakPolarHBondContact O-CB 3.4Å; G88-S92 PolarHBondContact O-N 3.32Å; G88-S92 PolarHBondContact O-OG 3.48Å; G88-F153 VanDerWaalsContact C-CE2 3.5Å; G88-F153 WeakPolarHBondContact O-CD2 3.32Å; G88-F153 WeakPolarHBondContact O-CE2 3.44Å |
| 89 | M | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 173.2 | -163.8 | -177.8 | 170.1 | 0 | 0 | 111.6 | I85 E86 L87 S92 L93 L150 F153 Q154 I377 Y378 | I85-M89 PolarHBondContact O-N 2.89Å; E86-M89 WeakPolarHBondContact O-CB 3.26Å; E86-M89 PolarHBondContact O-N 3.29Å; L87-M89 VanDerWaalsContact C-N 3.29Å; L87-M89 PolarHBondContact O-N 3.46Å; M89-S92 PolarHBondContact O-N 3.32Å; M89-L93 WeakPolarHBondContact O-CB 3.43Å; M89-L93 PolarHBondContact O-N 2.92Å; M89-L150 HydrophobicContact CE-CD1 4.4Å; M89-L150 HydrophobicContact CG-CD1 3.62Å; M89-L150 VanDerWaalsContact O-CD1 3.32Å; M89-L150 WeakPolarHBondContact O-CD1 3.21Å; M89-F153 HydrophobicContact CB-CB 3.73Å; M89-F153 HydrophobicContact CB-CG 4.41Å; M89-F153 HydrophobicContact CG-CB 4.14Å; M89-Q154 HydrophobicContact CE-CB 4.31Å; M89-Q154 HydrophobicContact CE-CG 4.48Å; M89-I377 HydrophobicContact CE-CG2 3.66Å; M89-Y378 HydrophobicContact CE-CD1 3.55Å; M89-Y378 HydrophobicContact CE-CE1 3.68Å |
| 90 | G | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G51 N54 E86 L87 L93 F94 | G51-G90 WeakPolarHBondContact CA-O 3.45Å; N54-G90 WeakPolarHBondContact ND2-CA 3.23Å; N54-G90 PolarHBondContact ND2-N 2.96Å; E86-G90 PolarHBondContact O-N 3.42Å; L87-G90 PolarHBondContact O-N 2.91Å; G90-L93 PolarHBondContact O-N 3.32Å; G90-F94 WeakPolarHBondContact O-CB 3.21Å; G90-F94 PolarHBondContact O-N 3.36Å |
| 91 | L | 96 | Very high | 93.9 | Very high | 82 Ų | 82 | 29.5 Ų | 29.5 | 43% | 0.429 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177 | -177.1 | 62.3 | 0 | 0 | 0 | 111.3 | T55 L87 G88 L93 F94 I95 | T55-L91 PolarHBondContact OG1-N 2.93Å; L87-L91 PolarHBondContact O-N 3.42Å; G88-L91 PolarHBondContact O-N 2.88Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.42Å; L91-F94 PolarHBondContact O-N 3.49Å; L91-I95 HydrophobicContact CD1-CD1 4.02Å; L91-I95 HydrophobicContact CD1-CG1 4.3Å; L91-I95 HydrophobicContact CG-CD1 3.87Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 2.88Å |
| 92 | S | 95.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111.6 | G88 M89 H96 F153 | G88-S92 WeakPolarHBondContact O-CB 3.4Å; G88-S92 PolarHBondContact O-N 3.32Å; G88-S92 PolarHBondContact O-OG 3.48Å; M89-S92 PolarHBondContact O-N 3.32Å; S92-H96 VanDerWaalsContact O-CB 3.25Å; S92-H96 WeakPolarHBondContact O-CB 3.29Å; S92-H96 PolarHBondContact O-N 2.98Å; S92-F153 WeakPolarHBondContact OG-CD2 3.42Å; S92-F153 WeakPolarHBondContact OG-CE2 3.35Å |
| 93 | L | 94.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.6 | 179.8 | 62.2 | 0 | 0 | 0 | 111.4 | L50 M89 G90 L91 H96 A97 L150 Y378 | L50-L93 HydrophobicContact CB-CD2 4.43Å; M89-L93 WeakPolarHBondContact O-CB 3.43Å; M89-L93 PolarHBondContact O-N 2.92Å; G90-L93 PolarHBondContact O-N 3.32Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 3.42Å; L93-H96 PolarHBondContact O-N 2.9Å; L93-A97 WeakPolarHBondContact O-CB 3.09Å; L93-A97 PolarHBondContact O-N 3.07Å; L93-L150 HydrophobicContact CB-CD1 3.91Å; L93-L150 HydrophobicContact CD1-CD2 4.15Å; L93-Y378 HydrophobicContact CD1-CE1 4.13Å; L93-Y378 HydrophobicContact CD1-CE2 4.05Å; L93-Y378 HydrophobicContact CD2-CD1 3.85Å; L93-Y378 HydrophobicContact CD2-CD2 4.13Å; L93-Y378 HydrophobicContact CD2-CE1 4.15Å; L93-Y378 HydrophobicContact CD2-CE2 4.4Å; L93-Y378 HydrophobicContact CD2-CG 3.88Å |
| 94 | F | 94.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 26% | 0.263 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.1 | -47.1 | -179.7 | -178.3 | -126.5 | 0 | 0 | 0 | 112.3 | L48 P52 G90 L91 H96 A97 L98 | L48-F94 HydrophobicContact CD2-CD2 4.4Å; L48-F94 HydrophobicContact CD2-CE2 4.21Å; P52-F94 HydrophobicContact CG-CD1 4.44Å; P52-F94 HydrophobicContact CG-CD2 3.37Å; P52-F94 HydrophobicContact CG-CE1 4.48Å; P52-F94 HydrophobicContact CG-CE2 3.43Å; P52-F94 VanDerWaalsContact CG-CE2 3.43Å; P52-F94 HydrophobicContact CG-CG 3.9Å; P52-F94 HydrophobicContact CG-CZ 4Å; G90-F94 WeakPolarHBondContact O-CB 3.21Å; G90-F94 PolarHBondContact O-N 3.36Å; L91-F94 PolarHBondContact O-N 3.49Å; F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 2.94Å; F94-A97 PolarHBondContact O-N 3.32Å; F94-L98 HydrophobicContact CD1-CD1 3.85Å; F94-L98 HydrophobicContact CD2-CD1 4.24Å; F94-L98 HydrophobicContact CD2-CG 4.08Å; F94-L98 HydrophobicContact CE1-CD1 3.41Å; F94-L98 VanDerWaalsContact CE1-CD1 3.41Å; F94-L98 HydrophobicContact CE1-CG 4.24Å; F94-L98 HydrophobicContact CE2-CD1 3.85Å; F94-L98 HydrophobicContact CE2-CD2 3.96Å; F94-L98 HydrophobicContact CE2-CG 3.74Å; F94-L98 HydrophobicContact CG-CD1 4.26Å; F94-L98 HydrophobicContact CG-CG 4.49Å; F94-L98 HydrophobicContact CZ-CD1 3.42Å; F94-L98 VanDerWaalsContact CZ-CD1 3.42Å; F94-L98 HydrophobicContact CZ-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CG 3.84Å; F94-L98 WeakPolarHBondContact O-CB 3.16Å; F94-L98 WeakPolarHBondContact O-CG 3.44Å; F94-L98 PolarHBondContact O-N 2.79Å |
| 95 | I | 93.3 | Very high | 87.4 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 29% | 0.292 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.3 | -66.7 | 168.4 | 0 | 0 | 0 | 110.2 | L91 A97 L98 I99 I142 S146 | L91-I95 HydrophobicContact CD1-CD1 4.02Å; L91-I95 HydrophobicContact CD1-CG1 4.3Å; L91-I95 HydrophobicContact CG-CD1 3.87Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 2.88Å; I95-A97 PolarHBondContact O-N 3.45Å; I95-L98 PolarHBondContact O-N 2.76Å; I95-I99 HydrophobicContact CG2-CD1 3.72Å; I95-I99 WeakPolarHBondContact O-CG1 3.23Å; I95-I99 PolarHBondContact O-N 3.48Å; I95-I99 VanDerWaalsContact O-N 3.11Å; I95-I142 HydrophobicContact CG2-CG2 3.95Å; I95-S146 VanDerWaalsContact CG2-OG 3.26Å; I95-S146 WeakPolarHBondContact CG2-OG 3.47Å |
| 96 | H | 90.6 | Very high | 84.9 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.5 | -174.7 | 82.3 | 0 | 0 | 0 | 111.6 | S92 L93 F94 F100 M143 | S92-H96 VanDerWaalsContact O-CB 3.25Å; S92-H96 WeakPolarHBondContact O-CB 3.29Å; S92-H96 PolarHBondContact O-N 2.98Å; L93-H96 PolarHBondContact O-N 2.9Å; F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 2.94Å; H96-F100 VanDerWaalsContact O-CB 3.28Å; H96-F100 WeakPolarHBondContact O-CB 3.31Å; H96-F100 PolarHBondContact O-N 2.74Å; H96-F100 VanDerWaalsContact O-N 3.09Å; H96-M143 PolarHBondContact ND1-O 2.95Å |
| 97 | A | 90.8 | Very high | 82.5 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L48 L93 F94 I95 S101 | L48-A97 HydrophobicContact CD2-CB 3.9Å; L48-A97 HydrophobicContact CG-CB 3.99Å; L93-A97 WeakPolarHBondContact O-CB 3.09Å; L93-A97 PolarHBondContact O-N 3.07Å; F94-A97 PolarHBondContact O-N 3.32Å; I95-A97 PolarHBondContact O-N 3.45Å; A97-S101 WeakPolarHBondContact O-CB 3.26Å; A97-S101 PolarHBondContact O-N 3.34Å |
| 98 | L | 90.8 | Very high | 79.9 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 176.8 | -80.6 | 176.3 | 0 | 0 | 0 | 112.1 | L48 F94 I95 S101 Q102 | L48-L98 HydrophobicContact CD2-CD2 3.65Å; L48-L98 HydrophobicContact CD2-CG 3.91Å; F94-L98 HydrophobicContact CD1-CD1 3.85Å; F94-L98 HydrophobicContact CD2-CD1 4.24Å; F94-L98 HydrophobicContact CD2-CG 4.08Å; F94-L98 HydrophobicContact CE1-CD1 3.41Å; F94-L98 VanDerWaalsContact CE1-CD1 3.41Å; F94-L98 HydrophobicContact CE1-CG 4.24Å; F94-L98 HydrophobicContact CE2-CD1 3.85Å; F94-L98 HydrophobicContact CE2-CD2 3.96Å; F94-L98 HydrophobicContact CE2-CG 3.74Å; F94-L98 HydrophobicContact CG-CD1 4.26Å; F94-L98 HydrophobicContact CG-CG 4.49Å; F94-L98 HydrophobicContact CZ-CD1 3.42Å; F94-L98 VanDerWaalsContact CZ-CD1 3.42Å; F94-L98 HydrophobicContact CZ-CD2 4.03Å; F94-L98 HydrophobicContact CZ-CG 3.84Å; F94-L98 WeakPolarHBondContact O-CB 3.16Å; F94-L98 WeakPolarHBondContact O-CG 3.44Å; F94-L98 PolarHBondContact O-N 2.79Å; I95-L98 PolarHBondContact O-N 2.76Å; L98-S101 WeakPolarHBondContact O-CB 3.23Å; L98-S101 PolarHBondContact O-N 3.04Å; L98-Q102 PolarHBondContact O-N 3.07Å; L98-Q102 VanDerWaalsContact O-N 3.16Å |
| 99 | I | 87.2 | Confident | 77.2 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | -177.3 | -66.2 | 171.9 | 0 | 0 | 0 | 110.4 | I95 S101 Q102 N103 S139 I142 M143 | I95-I99 HydrophobicContact CG2-CD1 3.72Å; I95-I99 WeakPolarHBondContact O-CG1 3.23Å; I95-I99 PolarHBondContact O-N 3.48Å; I95-I99 VanDerWaalsContact O-N 3.11Å; I99-S101 PolarHBondContact O-N 2.95Å; I99-Q102 PolarHBondContact O-N 3.27Å; I99-Q102 VanDerWaalsContact O-N 3.15Å; I99-N103 PolarHBondContact O-N 2.94Å; I99-S139 WeakPolarHBondContact CG2-OG 3.46Å; I99-I142 HydrophobicContact CD1-CB 3.64Å; I99-I142 HydrophobicContact CD1-CD1 4.47Å; I99-I142 HydrophobicContact CD1-CG2 3.16Å; I99-M143 HydrophobicContact CG2-CB 4.13Å |
| 100 | F | 83.5 | Confident | 74.8 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 30% | 0.303 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.5 | -34.6 | 174.6 | -171.6 | -104.4 | 0 | 0 | 0 | 112.1 | F40 R44 H96 S104 M143 | F40-F100 HydrophobicContact CD1-CZ 4.49Å; R44-F100 HydrophobicContact CB-CD1 4.19Å; R44-F100 HydrophobicContact CB-CE1 4.43Å; R44-F100 HydrophobicContact CG-CD1 4.08Å; H96-F100 VanDerWaalsContact O-CB 3.28Å; H96-F100 WeakPolarHBondContact O-CB 3.31Å; H96-F100 PolarHBondContact O-N 2.74Å; H96-F100 VanDerWaalsContact O-N 3.09Å; F100-S104 PolarHBondContact O-OG 3.22Å; F100-M143 HydrophobicContact CD2-SD 4.24Å |
| 101 | S | 81.6 | Confident | 72.4 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 175.7 | -163.5 | 0 | 0 | 0 | 0 | 113.6 | A97 L98 I99 S104 | A97-S101 WeakPolarHBondContact O-CB 3.26Å; A97-S101 PolarHBondContact O-N 3.34Å; L98-S101 WeakPolarHBondContact O-CB 3.23Å; L98-S101 PolarHBondContact O-N 3.04Å; I99-S101 PolarHBondContact O-N 2.95Å; S101-S104 PolarHBondContact O-N 3.43Å |
| 102 | Q | 77.5 | Confident | 69.9 | Low | 115 Ų | 115 | 73.5 Ų | 73.5 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.3 | -35.7 | -178.4 | -70.2 | -178.6 | -14.7 | 0 | 0 | 112.8 | L98 I99 S104 T105 T106 | L98-Q102 PolarHBondContact O-N 3.07Å; L98-Q102 VanDerWaalsContact O-N 3.16Å; I99-Q102 PolarHBondContact O-N 3.27Å; I99-Q102 VanDerWaalsContact O-N 3.15Å; Q102-S104 PolarHBondContact O-N 2.81Å; Q102-T105 PolarHBondContact O-N 3.49Å; Q102-T105 PolarHBondContact O-OG1 2.86Å; Q102-T106 PolarHBondContact O-N 3.22Å; Q102-T106 PolarHBondContact O-OG1 2.9Å |
| 103 | N | 67.6 | Low | 67.5 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -22.7 | 177.6 | -69.3 | -8.9 | 0 | 0 | 0 | 112.2 | I99 T107 S139 | I99-N103 PolarHBondContact O-N 2.94Å; N103-T107 PolarHBondContact O-OG1 3.46Å; N103-S139 VanDerWaalsContact CG-OG 3.32Å; N103-S139 PolarHBondContact ND2-OG 3.46Å; N103-S139 PolarHBondContact OD1-OG 2.89Å |
| 104 | S | 59 | Low | 65.2 | Low | 56 Ų | 56 | 86.3 Ų | 86.3 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77.9 | -30.6 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | R44 F100 S101 Q102 | R44-S104 PolarHBondContact NH1-OG 3.2Å; F100-S104 PolarHBondContact O-OG 3.22Å; S101-S104 PolarHBondContact O-N 3.43Å; Q102-S104 PolarHBondContact O-N 2.81Å |
| 105 | T | 50.1 | Low | 62.9 | Low | 82 Ų | 82 | 88.8 Ų | 88.8 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -92.7 | -22.4 | -172 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | Q102 T107 S108 | Q102-T105 PolarHBondContact O-N 3.49Å; Q102-T105 PolarHBondContact O-OG1 2.86Å; T105-T107 VanDerWaalsContact C-N 3.26Å; T105-T107 PolarHBondContact O-N 3.38Å; T105-S108 PolarHBondContact O-OG 2.91Å |
| 106 | T | 45.8 | Very low | 60.8 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.6 | -24.9 | -176.9 | -39.1 | 0 | 0 | 0 | 0 | 111.7 | Q102 | Q102-T106 PolarHBondContact O-N 3.22Å; Q102-T106 PolarHBondContact O-OG1 2.9Å |
| 107 | T | 47.2 | Very low | 58.9 | Low | 53 Ų | 53 | 96.8 Ų | 96.8 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -31.7 | -176 | -31.7 | 0 | 0 | 0 | 0 | 113.9 | N103 T105 | N103-T107 PolarHBondContact O-OG1 3.46Å; T105-T107 VanDerWaalsContact C-N 3.26Å; T105-T107 PolarHBondContact O-N 3.38Å |
| 108 | S | 42.8 | Very low | 56.9 | Low | 77 Ų | 77 | 104.2 Ų | 104.2 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -80.8 | -22.8 | -170.9 | 43.7 | 0 | 0 | 0 | 0 | 114.2 | T105 | T105-S108 PolarHBondContact O-OG 2.91Å |
| 109 | H | 41.1 | Very low | 54.9 | Low | 164 Ų | 164 | 110.9 Ų | 110.9 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -88 | -20 | -173 | -86.3 | -76.4 | 0 | 0 | 0 | 115.2 | ||
| 110 | L | 45.8 | Very low | 53.1 | Low | 146 Ų | 146 | 114.8 Ų | 114.8 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -81.5 | -15.6 | -176.8 | -122.4 | 86.8 | 0 | 0 | 0 | 114.1 | ||
| 111 | H | 46 | Very low | 51.5 | Low | 174 Ų | 174 | 119.1 Ų | 119.1 | 81% | 0.806 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -89.9 | -8 | -169.9 | -152.4 | 63.4 | 0 | 0 | 0 | 115.2 | ||
| 112 | Q | 44 | Very low | 50.2 | Low | 166 Ų | 166 | 123.7 Ų | 123.7 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -101.2 | -11.9 | -171.5 | -81 | -174.3 | -8.4 | 0 | 0 | 116.8 | ||
| 113 | N | 44.4 | Very low | 49.1 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -120.5 | 34.6 | -173 | -75.8 | 2.2 | 0 | 0 | 0 | 114.8 | ||
| 114 | T | 45.5 | Very low | 48.4 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -115.3 | 54.1 | 170.6 | -35 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 115 | T | 46.3 | Very low | 48.2 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -116.7 | 111.2 | 156.4 | 54.3 | 0 | 0 | 0 | 0 | 107.7 | ||
| 116 | N | 48.9 | Very low | 48.5 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 89.6 | 54.7 | 157.6 | -49.3 | -18.6 | 0 | 0 | 0 | 119.2 | ||
| 117 | S | 51.2 | Low | 49.2 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | -133.5 | 88.9 | 159.7 | -53.1 | 0 | 0 | 0 | 0 | 111 | Y119 | S117-Y119 VanDerWaalsContact C-N 3.28Å; S117-Y119 PolarHBondContact O-N 3.14Å | ||
| 118 | I | 48.5 | Very low | 49.8 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | trans | -74.9 | 82.3 | 167.5 | -59.2 | 168.1 | 0 | 0 | 0 | 107 | ||||
| 119 | Y | 48.9 | Very low | 50.7 | Low | 207 Ų | 207 | 132.8 Ų | 132.8 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | trans | -145.4 | 116.6 | 161.2 | -77.8 | -70.9 | 0 | 0 | 0 | 109.1 | S117 Y121 | S117-Y119 VanDerWaalsContact C-N 3.28Å; S117-Y119 PolarHBondContact O-N 3.14Å; Y119-Y121 PolarHBondContact O-N 2.98Å | ||
| 120 | P | 49.5 | Very low | 51.8 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | trans | -82.4 | 81 | -177.2 | 33.1 | -31.5 | 0 | 0 | 0 | 109.7 | H122 | P120-H122 VanDerWaalsContact C-N 3.31Å; P120-H122 PolarHBondContact O-N 3.46Å | ||
| 121 | Y | 49.3 | Very low | 53.4 | Low | 160 Ų | 160 | 125.2 Ų | 125.2 | 63% | 0.627 | 65% | 0.645 | S | S | * | * | trans | -84.2 | 80.1 | 167.2 | -154.1 | -92.1 | 0 | 0 | 0 | 108.9 | Y119 N123 E124 | Y119-Y121 PolarHBondContact O-N 2.98Å; Y121-N123 VanDerWaalsContact C-N 3.28Å; Y121-N123 PolarHBondContact O-N 3.45Å; Y121-E124 HydrophobicContact CD1-CB 3.64Å; Y121-E124 HydrophobicContact CE1-CB 3.79Å | ||
| 122 | H | 54 | Low | 55.3 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -21.2 | -169.9 | -98 | -71.4 | 0 | 0 | 0 | 115.2 | P120 | P120-H122 VanDerWaalsContact C-N 3.31Å; P120-H122 PolarHBondContact O-N 3.46Å |
| 123 | N | 54.3 | Low | 57.3 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -91 | -29.5 | -170.7 | -69.6 | -10.9 | 0 | 0 | 0 | 114.7 | Y121 T127 | Y121-N123 VanDerWaalsContact C-N 3.28Å; Y121-N123 PolarHBondContact O-N 3.45Å; N123-T127 PolarHBondContact O-OG1 3.44Å |
| 124 | E | 54.9 | Low | 59.4 | Low | 121 Ų | 121 | 109.2 Ų | 109.2 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -88 | -30.3 | -176 | -145.5 | 169.4 | -154.1 | 0 | 0 | 111.8 | Y121 T127 I128 | Y121-E124 HydrophobicContact CD1-CB 3.64Å; Y121-E124 HydrophobicContact CE1-CB 3.79Å; E124-T127 WeakPolarHBondContact CA-OG1 3.4Å; E124-T127 PolarHBondContact O-N 3.41Å; E124-T127 PolarHBondContact O-OG1 3.17Å; E124-I128 HydrophobicContact CG-CD1 4.49Å; E124-I128 WeakPolarHBondContact O-CD1 3.43Å; E124-I128 VanDerWaalsContact O-CG1 3.26Å; E124-I128 WeakPolarHBondContact O-CG1 3.19Å; E124-I128 PolarHBondContact O-N 3.29Å; E124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | Q | 54.4 | Low | 61.5 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -39.7 | 174.6 | -76.4 | -175.4 | -22.7 | 0 | 0 | 112 | T127 I128 Q129 | Q125-T127 PolarHBondContact O-N 3Å; Q125-I128 PolarHBondContact O-N 3.03Å; Q125-Q129 WeakPolarHBondContact O-CB 3.34Å; Q125-Q129 WeakPolarHBondContact O-CG 3.28Å; Q125-Q129 PolarHBondContact O-N 2.94Å |
| 126 | D | 56.5 | Low | 63.5 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 178.3 | -76.6 | -6.1 | 0 | 0 | 0 | 111.9 | T130 | D126-T130 VanDerWaalsContact O-CB 3.29Å; D126-T130 WeakPolarHBondContact O-CB 3.14Å; D126-T130 PolarHBondContact O-N 3.12Å; D126-T130 PolarHBondContact O-OG1 3.12Å |
| 127 | T | 58.9 | Low | 65.5 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 176.6 | 24.7 | 0 | 0 | 0 | 0 | 112.4 | N123 E124 Q125 N131 | N123-T127 PolarHBondContact O-OG1 3.44Å; E124-T127 WeakPolarHBondContact CA-OG1 3.4Å; E124-T127 PolarHBondContact O-N 3.41Å; E124-T127 PolarHBondContact O-OG1 3.17Å; Q125-T127 PolarHBondContact O-N 3Å; T127-N131 PolarHBondContact O-N 2.97Å; T127-N131 PolarHBondContact O-ND2 2.96Å |
| 128 | I | 60.5 | Low | 67.4 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 176.3 | -67 | 166.9 | 0 | 0 | 0 | 111 | E124 Q125 N131 A132 | E124-I128 HydrophobicContact CG-CD1 4.49Å; E124-I128 WeakPolarHBondContact O-CD1 3.43Å; E124-I128 VanDerWaalsContact O-CG1 3.26Å; E124-I128 WeakPolarHBondContact O-CG1 3.19Å; E124-I128 PolarHBondContact O-N 3.29Å; E124-I128 VanDerWaalsContact O-N 3.08Å; Q125-I128 PolarHBondContact O-N 3.03Å; I128-N131 PolarHBondContact O-N 3.14Å; I128-A132 PolarHBondContact O-N 3.4Å |
| 129 | Q | 61.5 | Low | 69.4 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 178.6 | -72.4 | -179.3 | 32.4 | 0 | 0 | 112.3 | Q125 N131 A132 | Q125-Q129 WeakPolarHBondContact O-CB 3.34Å; Q125-Q129 WeakPolarHBondContact O-CG 3.28Å; Q125-Q129 PolarHBondContact O-N 2.94Å; Q129-N131 PolarHBondContact O-N 3.12Å; Q129-A132 WeakPolarHBondContact O-CB 3.49Å; Q129-A132 PolarHBondContact O-N 3.16Å |
| 130 | T | 65.3 | Low | 71.4 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -32.8 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | D126 Y133 I134 | D126-T130 VanDerWaalsContact O-CB 3.29Å; D126-T130 WeakPolarHBondContact O-CB 3.14Å; D126-T130 PolarHBondContact O-N 3.12Å; D126-T130 PolarHBondContact O-OG1 3.12Å; T130-Y133 HydrophobicContact CG2-CE1 3.87Å; T130-Y133 VanDerWaalsContact O-CD1 3.23Å; T130-Y133 WeakPolarHBondContact O-CD1 3.46Å; T130-Y133 WeakPolarHBondContact O-CE1 3.37Å; T130-I134 HydrophobicContact CG2-CD1 4.39Å; T130-I134 WeakPolarHBondContact O-CD1 3.35Å; T130-I134 WeakPolarHBondContact O-CG1 3.46Å |
| 131 | N | 78.8 | Confident | 73.4 | Confident | 106 Ų | 106 | 81.6 Ų | 81.6 | 57% | 0.567 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -74.7 | -25.8 | 178 | -72 | -19.6 | 0 | 0 | 0 | 113.7 | T127 I128 Q129 K135 | T127-N131 PolarHBondContact O-N 2.97Å; T127-N131 PolarHBondContact O-ND2 2.96Å; I128-N131 PolarHBondContact O-N 3.14Å; Q129-N131 PolarHBondContact O-N 3.12Å; N131-K135 WeakPolarHBondContact O-CB 3.24Å; N131-K135 PolarHBondContact O-N 2.9Å |
| 132 | A | 84.9 | Confident | 75.5 | Confident | 32 Ų | 32 | 76.4 Ų | 76.4 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.1 | -51.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I128 Q129 I134 K135 T136 | I128-A132 PolarHBondContact O-N 3.4Å; Q129-A132 WeakPolarHBondContact O-CB 3.49Å; Q129-A132 PolarHBondContact O-N 3.16Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.03Å; A132-K135 PolarHBondContact O-N 3.42Å; A132-T136 PolarHBondContact O-N 2.94Å; A132-T136 PolarHBondContact O-OG1 3.49Å |
| 133 | Y | 86 | Confident | 77.3 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 16% | 0.161 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | -179.3 | 80.2 | -95.2 | 0 | 0 | 0 | 111.9 | I22 T130 T136 I137 Y215 | I22-Y133 HydrophobicContact CD1-CD2 4.14Å; I22-Y133 HydrophobicContact CD1-CE2 3.92Å; T130-Y133 HydrophobicContact CG2-CE1 3.87Å; T130-Y133 VanDerWaalsContact O-CD1 3.23Å; T130-Y133 WeakPolarHBondContact O-CD1 3.46Å; T130-Y133 WeakPolarHBondContact O-CE1 3.37Å; Y133-T136 PolarHBondContact O-N 3.49Å; Y133-I137 HydrophobicContact CD2-CD1 3.81Å; Y133-I137 HydrophobicContact CE2-CD1 4.38Å; Y133-I137 VanDerWaalsContact O-CG1 3.28Å; Y133-I137 WeakPolarHBondContact O-CG1 3.49Å; Y133-I137 PolarHBondContact O-N 3.27Å; Y133-Y215 AromaticContact CD1-CD2 3.97Å; Y133-Y215 HydrophobicContact CD1-CD2 3.97Å; Y133-Y215 HydrophobicContact CD1-CE2 4.12Å; Y133-Y215 AromaticContact CE1-CD2 3.88Å; Y133-Y215 HydrophobicContact CE1-CD2 3.88Å; Y133-Y215 AromaticContact CE1-CE2 3.6Å; Y133-Y215 HydrophobicContact CE1-CE2 3.6Å |
| 134 | I | 89.2 | Confident | 79.1 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.2 | -62.9 | 174.1 | 0 | 0 | 0 | 110.3 | T130 A132 T136 I137 F138 | T130-I134 HydrophobicContact CG2-CD1 4.39Å; T130-I134 WeakPolarHBondContact O-CD1 3.35Å; T130-I134 WeakPolarHBondContact O-CG1 3.46Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.03Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.5Å; I134-I137 PolarHBondContact O-N 3.42Å; I134-F138 WeakPolarHBondContact O-CB 3.46Å; I134-F138 PolarHBondContact O-N 3.08Å |
| 135 | K | 89.3 | Confident | 80.9 | Confident | 122 Ų | 122 | 65 Ų | 65 | 53% | 0.53 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 177 | -175.8 | -177.1 | 176.1 | -171.8 | 0 | 111.5 | N131 A132 F138 S139 | N131-K135 WeakPolarHBondContact O-CB 3.24Å; N131-K135 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.42Å; K135-F138 PolarHBondContact O-N 3.12Å; K135-S139 WeakPolarHBondContact O-CB 3.15Å; K135-S139 PolarHBondContact O-N 3.42Å |
| 136 | T | 88.6 | Confident | 82.8 | Confident | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.4 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | A132 Y133 I134 F138 S139 F140 V213 G218 V220 | A132-T136 PolarHBondContact O-N 2.94Å; A132-T136 PolarHBondContact O-OG1 3.49Å; Y133-T136 PolarHBondContact O-N 3.49Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.5Å; T136-F138 VanDerWaalsContact C-N 3.35Å; T136-F138 PolarHBondContact O-N 3.23Å; T136-S139 PolarHBondContact O-N 2.91Å; T136-F140 WeakPolarHBondContact O-CB 3.4Å; T136-F140 PolarHBondContact O-N 3.12Å; T136-V213 HydrophobicContact CG2-CG1 4.16Å; T136-V213 HydrophobicContact CG2-CG2 4.17Å; T136-G218 WeakPolarHBondContact CB-O 3.47Å; T136-G218 WeakPolarHBondContact CG2-O 3.31Å; T136-G218 PolarHBondContact OG1-O 2.99Å; T136-V220 HydrophobicContact CG2-CG2 3.58Å |
| 137 | I | 90.1 | Very high | 84.5 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176.1 | -69.4 | 170.1 | 0 | 0 | 0 | 110.3 | F20 I22 Y133 I134 F140 F141 V213 | F20-I137 HydrophobicContact CD1-CG2 4.15Å; F20-I137 HydrophobicContact CD2-CD1 3.71Å; F20-I137 HydrophobicContact CD2-CG1 4.28Å; F20-I137 HydrophobicContact CE1-CG2 4.3Å; F20-I137 HydrophobicContact CE2-CD1 3.9Å; F20-I137 HydrophobicContact CG-CD1 4.34Å; F20-I137 HydrophobicContact CG-CG1 4.45Å; F20-I137 HydrophobicContact CG-CG2 4.28Å; I22-I137 HydrophobicContact CD1-CD1 4.32Å; I22-I137 HydrophobicContact CG1-CD1 4.28Å; Y133-I137 HydrophobicContact CD2-CD1 3.81Å; Y133-I137 HydrophobicContact CE2-CD1 4.38Å; Y133-I137 VanDerWaalsContact O-CG1 3.28Å; Y133-I137 WeakPolarHBondContact O-CG1 3.49Å; Y133-I137 PolarHBondContact O-N 3.27Å; I134-I137 PolarHBondContact O-N 3.42Å; I137-F140 WeakPolarHBondContact O-CB 3.3Å; I137-F140 PolarHBondContact O-N 3.38Å; I137-F141 HydrophobicContact CG2-CD2 3.65Å; I137-F141 HydrophobicContact CG2-CE2 3.47Å; I137-F141 VanDerWaalsContact CG2-CE2 3.47Å; I137-F141 WeakPolarHBondContact O-CD2 3.44Å; I137-F141 PolarHBondContact O-N 2.57Å; I137-V213 HydrophobicContact CG1-CB 4.5Å; I137-V213 HydrophobicContact CG1-CG2 3.96Å |
| 138 | F | 91.6 | Very high | 86.3 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 178.2 | -175.8 | -109.7 | 0 | 0 | 0 | 112.4 | I134 K135 T136 F140 F141 I142 | I134-F138 WeakPolarHBondContact O-CB 3.46Å; I134-F138 PolarHBondContact O-N 3.08Å; K135-F138 PolarHBondContact O-N 3.12Å; T136-F138 VanDerWaalsContact C-N 3.35Å; T136-F138 PolarHBondContact O-N 3.23Å; F138-F140 VanDerWaalsContact C-N 3.34Å; F138-F140 PolarHBondContact O-N 3.45Å; F138-F141 PolarHBondContact O-N 3.39Å; F138-I142 HydrophobicContact CD1-CD1 3.62Å; F138-I142 HydrophobicContact CD2-CD1 4.48Å; F138-I142 HydrophobicContact CE1-CD1 3.15Å; F138-I142 HydrophobicContact CE1-CG1 4.23Å; F138-I142 HydrophobicContact CE2-CD1 4.08Å; F138-I142 HydrophobicContact CE2-CG1 4.38Å; F138-I142 HydrophobicContact CG-CD1 4.28Å; F138-I142 HydrophobicContact CZ-CD1 3.41Å; F138-I142 VanDerWaalsContact CZ-CD1 3.41Å; F138-I142 HydrophobicContact CZ-CG1 4.15Å; F138-I142 WeakPolarHBondContact O-CG1 3.45Å; F138-I142 PolarHBondContact O-N 2.93Å |
| 139 | S | 90.9 | Very high | 88 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | I99 N103 K135 T136 I142 M143 | I99-S139 WeakPolarHBondContact CG2-OG 3.46Å; N103-S139 VanDerWaalsContact CG-OG 3.32Å; N103-S139 PolarHBondContact ND2-OG 3.46Å; N103-S139 PolarHBondContact OD1-OG 2.89Å; K135-S139 WeakPolarHBondContact O-CB 3.15Å; K135-S139 PolarHBondContact O-N 3.42Å; T136-S139 PolarHBondContact O-N 2.91Å; S139-I142 PolarHBondContact O-N 3.25Å; S139-M143 VanDerWaalsContact O-CB 3.24Å; S139-M143 WeakPolarHBondContact O-CB 3.34Å; S139-M143 PolarHBondContact O-N 2.93Å |
| 140 | F | 91.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 51 Ų | 51 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 174.9 | 170.9 | -102.9 | 0 | 0 | 0 | 112.5 | L19 T136 I137 F138 M143 T144 I211 | L19-F140 HydrophobicContact CB-CE1 4.46Å; T136-F140 WeakPolarHBondContact O-CB 3.4Å; T136-F140 PolarHBondContact O-N 3.12Å; I137-F140 WeakPolarHBondContact O-CB 3.3Å; I137-F140 PolarHBondContact O-N 3.38Å; F138-F140 VanDerWaalsContact C-N 3.34Å; F138-F140 PolarHBondContact O-N 3.45Å; F140-M143 HydrophobicContact CD2-CE 4.35Å; F140-M143 PolarHBondContact O-N 3.02Å; F140-T144 WeakPolarHBondContact CE2-OG1 3.48Å; F140-T144 VanDerWaalsContact O-CB 3.27Å; F140-T144 WeakPolarHBondContact O-CB 3.48Å; F140-T144 PolarHBondContact O-N 2.84Å; F140-T144 PolarHBondContact O-OG1 2.82Å; F140-I211 HydrophobicContact CB-CD1 3.43Å; F140-I211 VanDerWaalsContact CB-CD1 3.43Å; F140-I211 HydrophobicContact CB-CG1 4.45Å; F140-I211 HydrophobicContact CD1-CD1 3.7Å; F140-I211 HydrophobicContact CD1-CG1 3.81Å; F140-I211 HydrophobicContact CD2-CB 4.45Å; F140-I211 HydrophobicContact CD2-CD1 3.74Å; F140-I211 HydrophobicContact CD2-CG1 4.06Å; F140-I211 HydrophobicContact CD2-CG2 3.56Å; F140-I211 HydrophobicContact CE1-CD1 4.38Å; F140-I211 HydrophobicContact CE1-CG1 4Å; F140-I211 HydrophobicContact CE1-CG2 4.5Å; F140-I211 HydrophobicContact CE2-CB 4.4Å; F140-I211 HydrophobicContact CE2-CD1 4.43Å; F140-I211 HydrophobicContact CE2-CG1 4.25Å; F140-I211 HydrophobicContact CE2-CG2 3.35Å; F140-I211 HydrophobicContact CG-CD1 3.32Å; F140-I211 HydrophobicContact CG-CG1 3.84Å; F140-I211 HydrophobicContact CG-CG2 4.24Å; F140-I211 HydrophobicContact CZ-CG1 4.21Å; F140-I211 HydrophobicContact CZ-CG2 3.87Å |
| 141 | F | 92.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 177.5 | -85.4 | -66.8 | 0 | 0 | 0 | 111.7 | L19 F20 I137 F138 M143 T144 I145 | L19-F141 HydrophobicContact CB-CE1 4.3Å; L19-F141 HydrophobicContact CB-CZ 4.35Å; L19-F141 HydrophobicContact CD1-CE1 3.74Å; L19-F141 HydrophobicContact CD1-CZ 4.47Å; F20-F141 AromaticContact CD1-CE2 3.71Å; F20-F141 HydrophobicContact CD1-CE2 3.71Å; F20-F141 AromaticContact CD1-CZ 3.71Å; F20-F141 HydrophobicContact CD1-CZ 3.71Å; F20-F141 AromaticContact CE1-CE2 3.81Å; F20-F141 HydrophobicContact CE1-CE2 3.81Å; F20-F141 AromaticContact CE1-CZ 3.86Å; F20-F141 HydrophobicContact CE1-CZ 3.86Å; I137-F141 HydrophobicContact CG2-CD2 3.65Å; I137-F141 HydrophobicContact CG2-CE2 3.47Å; I137-F141 VanDerWaalsContact CG2-CE2 3.47Å; I137-F141 WeakPolarHBondContact O-CD2 3.44Å; I137-F141 PolarHBondContact O-N 2.57Å; F138-F141 PolarHBondContact O-N 3.39Å; F141-M143 PolarHBondContact O-N 3.14Å; F141-T144 PolarHBondContact O-N 3.48Å; F141-I145 VanDerWaalsContact O-CB 3.28Å; F141-I145 WeakPolarHBondContact O-CB 3.45Å; F141-I145 WeakPolarHBondContact O-CD1 3.21Å; F141-I145 WeakPolarHBondContact O-CG1 3.49Å; F141-I145 PolarHBondContact O-N 3.2Å |
| 142 | I | 92.6 | Very high | 92 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -42 | 179.4 | -58.9 | 165.5 | 0 | 0 | 0 | 110.9 | I95 I99 F138 S139 T144 I145 S146 | I95-I142 HydrophobicContact CG2-CG2 3.95Å; I99-I142 HydrophobicContact CD1-CB 3.64Å; I99-I142 HydrophobicContact CD1-CD1 4.47Å; I99-I142 HydrophobicContact CD1-CG2 3.16Å; F138-I142 HydrophobicContact CD1-CD1 3.62Å; F138-I142 HydrophobicContact CD2-CD1 4.48Å; F138-I142 HydrophobicContact CE1-CD1 3.15Å; F138-I142 HydrophobicContact CE1-CG1 4.23Å; F138-I142 HydrophobicContact CE2-CD1 4.08Å; F138-I142 HydrophobicContact CE2-CG1 4.38Å; F138-I142 HydrophobicContact CG-CD1 4.28Å; F138-I142 HydrophobicContact CZ-CD1 3.41Å; F138-I142 VanDerWaalsContact CZ-CD1 3.41Å; F138-I142 HydrophobicContact CZ-CG1 4.15Å; F138-I142 WeakPolarHBondContact O-CG1 3.45Å; F138-I142 PolarHBondContact O-N 2.93Å; S139-I142 PolarHBondContact O-N 3.25Å; I142-T144 VanDerWaalsContact C-N 3.34Å; I142-T144 PolarHBondContact O-N 3.49Å; I142-I145 PolarHBondContact O-N 3.46Å; I142-S146 WeakPolarHBondContact O-CB 3.23Å; I142-S146 PolarHBondContact O-N 3.29Å; I142-S146 PolarHBondContact O-OG 3.13Å |
| 143 | M | 91.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 22% | 0.222 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.2 | -176.2 | -178.3 | 71.3 | 0 | 0 | 111.3 | H96 I99 F100 S139 F140 F141 S147 | H96-M143 PolarHBondContact ND1-O 2.95Å; I99-M143 HydrophobicContact CG2-CB 4.13Å; F100-M143 HydrophobicContact CD2-SD 4.24Å; S139-M143 VanDerWaalsContact O-CB 3.24Å; S139-M143 WeakPolarHBondContact O-CB 3.34Å; S139-M143 PolarHBondContact O-N 2.93Å; F140-M143 HydrophobicContact CD2-CE 4.35Å; F140-M143 PolarHBondContact O-N 3.02Å; F141-M143 PolarHBondContact O-N 3.14Å; M143-S147 VanDerWaalsContact O-CB 3.31Å; M143-S147 WeakPolarHBondContact O-CB 3.39Å; M143-S147 PolarHBondContact O-N 3.33Å |
| 144 | T | 92 | Very high | 93.2 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -51.8 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | F140 F141 I142 S146 S147 R148 | F140-T144 WeakPolarHBondContact CE2-OG1 3.48Å; F140-T144 VanDerWaalsContact O-CB 3.27Å; F140-T144 WeakPolarHBondContact O-CB 3.48Å; F140-T144 PolarHBondContact O-N 2.84Å; F140-T144 PolarHBondContact O-OG1 2.82Å; F141-T144 PolarHBondContact O-N 3.48Å; I142-T144 VanDerWaalsContact C-N 3.34Å; I142-T144 PolarHBondContact O-N 3.49Å; T144-S146 PolarHBondContact O-N 3.09Å; T144-S147 PolarHBondContact O-N 3.18Å; T144-R148 HydrophobicContact CG2-CG 4.49Å; T144-R148 VanDerWaalsContact O-CG 3.25Å; T144-R148 WeakPolarHBondContact O-CG 3.16Å; T144-R148 PolarHBondContact O-N 3.39Å |
| 145 | I | 93 | Very high | 93.6 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 42% | 0.415 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 178.5 | -71.4 | 168.6 | 0 | 0 | 0 | 110.4 | F141 I142 S147 R148 F149 | F141-I145 VanDerWaalsContact O-CB 3.28Å; F141-I145 WeakPolarHBondContact O-CB 3.45Å; F141-I145 WeakPolarHBondContact O-CD1 3.21Å; F141-I145 WeakPolarHBondContact O-CG1 3.49Å; F141-I145 PolarHBondContact O-N 3.2Å; I142-I145 PolarHBondContact O-N 3.46Å; I145-S147 PolarHBondContact O-N 3Å; I145-R148 PolarHBondContact O-N 3.46Å; I145-R148 VanDerWaalsContact O-N 3.12Å; I145-F149 HydrophobicContact CG2-CD2 3.5Å; I145-F149 HydrophobicContact CG2-CE2 3.57Å; I145-F149 VanDerWaalsContact O-CD2 3.31Å; I145-F149 WeakPolarHBondContact O-CD2 3.5Å; I145-F149 PolarHBondContact O-N 3.04Å |
| 146 | S | 93.5 | Very high | 94 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | -179.3 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | I95 I142 T144 R148 F149 L150 | I95-S146 VanDerWaalsContact CG2-OG 3.26Å; I95-S146 WeakPolarHBondContact CG2-OG 3.47Å; I142-S146 WeakPolarHBondContact O-CB 3.23Å; I142-S146 PolarHBondContact O-N 3.29Å; I142-S146 PolarHBondContact O-OG 3.13Å; T144-S146 PolarHBondContact O-N 3.09Å; S146-R148 VanDerWaalsContact C-N 3.32Å; S146-R148 PolarHBondContact O-N 2.97Å; S146-F149 PolarHBondContact O-N 3.47Å; S146-L150 WeakPolarHBondContact O-CB 3.28Å; S146-L150 PolarHBondContact O-N 3Å |
| 147 | S | 93.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 172.2 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | M143 T144 I145 L150 V151 | M143-S147 VanDerWaalsContact O-CB 3.31Å; M143-S147 WeakPolarHBondContact O-CB 3.39Å; M143-S147 PolarHBondContact O-N 3.33Å; T144-S147 PolarHBondContact O-N 3.18Å; I145-S147 PolarHBondContact O-N 3Å; S147-L150 WeakPolarHBondContact O-CB 3.31Å; S147-L150 PolarHBondContact O-N 2.9Å; S147-V151 PolarHBondContact O-N 3.39Å |
| 148 | R | 96 | Very high | 94.8 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | 179.8 | -64.2 | -23.5 | 177 | -164.6 | 11.2 | 111.4 | T144 I145 S146 L150 V151 V152 V202 R205 I206 E208 | T144-R148 HydrophobicContact CG2-CG 4.49Å; T144-R148 VanDerWaalsContact O-CG 3.25Å; T144-R148 WeakPolarHBondContact O-CG 3.16Å; T144-R148 PolarHBondContact O-N 3.39Å; I145-R148 PolarHBondContact O-N 3.46Å; I145-R148 VanDerWaalsContact O-N 3.12Å; S146-R148 VanDerWaalsContact C-N 3.32Å; S146-R148 PolarHBondContact O-N 2.97Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.45Å; R148-V151 PolarHBondContact O-N 3.09Å; R148-V151 VanDerWaalsContact O-N 3.15Å; R148-V152 WeakPolarHBondContact O-CG2 3.42Å; R148-V152 PolarHBondContact O-N 2.9Å; R148-V202 HydrophobicContact CB-CG1 3.82Å; R148-V202 HydrophobicContact CG-CG1 4.34Å; R148-R205 VanDerWaalsContact CZ-O 3.25Å; R148-R205 PolarHBondContact NE-O 3.41Å; R148-R205 PolarHBondContact NH2-O 3.46Å; R148-I206 HydrophobicContact CG-CG1 3.94Å; R148-E208 IonicContact CZ-OE2 3.52Å; R148-E208 IonicContact NH1-OE2 3.95Å; R148-E208 IonicContact NH2-OE2 2.73Å; R148-E208 PolarHBondContact NH2-OE2 3.49Å |
| 149 | F | 96.5 | Very high | 95.2 | Very high | 88 Ų | 88 | 28.9 Ų | 28.9 | 39% | 0.386 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 173.1 | -89.5 | -74.1 | 0 | 0 | 0 | 112.2 | I145 S146 V151 V152 F153 F195 | I145-F149 HydrophobicContact CG2-CD2 3.5Å; I145-F149 HydrophobicContact CG2-CE2 3.57Å; I145-F149 VanDerWaalsContact O-CD2 3.31Å; I145-F149 WeakPolarHBondContact O-CD2 3.5Å; I145-F149 PolarHBondContact O-N 3.04Å; S146-F149 PolarHBondContact O-N 3.47Å; F149-V151 VanDerWaalsContact C-N 3.29Å; F149-V151 PolarHBondContact O-N 2.95Å; F149-V152 WeakPolarHBondContact O-CB 3.32Å; F149-V152 PolarHBondContact O-N 3.06Å; F149-V152 VanDerWaalsContact O-N 3.15Å; F149-F153 HydrophobicContact CB-CD2 4.33Å; F149-F153 HydrophobicContact CB-CE2 4.17Å; F149-F153 AromaticContact CD1-CE2 3.99Å; F149-F153 HydrophobicContact CD1-CE2 3.99Å; F149-F153 WeakPolarHBondContact O-CD2 3.43Å; F149-F153 PolarHBondContact O-N 3.37Å; F149-F195 HydrophobicContact CE1-CZ 4.45Å |
| 150 | L | 95.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -45.1 | 174.4 | -174.2 | 64.9 | 0 | 0 | 0 | 111.6 | M89 L93 S146 S147 R148 F153 Q154 Y378 | M89-L150 HydrophobicContact CE-CD1 4.4Å; M89-L150 HydrophobicContact CG-CD1 3.62Å; M89-L150 VanDerWaalsContact O-CD1 3.32Å; M89-L150 WeakPolarHBondContact O-CD1 3.21Å; L93-L150 HydrophobicContact CB-CD1 3.91Å; L93-L150 HydrophobicContact CD1-CD2 4.15Å; S146-L150 WeakPolarHBondContact O-CB 3.28Å; S146-L150 PolarHBondContact O-N 3Å; S147-L150 WeakPolarHBondContact O-CB 3.31Å; S147-L150 PolarHBondContact O-N 2.9Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.45Å; L150-F153 PolarHBondContact O-N 2.77Å; L150-Q154 WeakPolarHBondContact O-CB 3.27Å; L150-Q154 PolarHBondContact O-N 2.81Å; L150-Y378 HydrophobicContact CD1-CE1 4.12Å; L150-Y378 HydrophobicContact CD2-CE1 4.17Å; L150-Y378 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y378 HydrophobicContact CG-CE1 4.43Å |
| 151 | V | 96.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 10% | 0.097 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | S147 R148 F149 F153 Q154 I155 V202 M242 | S147-V151 PolarHBondContact O-N 3.39Å; R148-V151 PolarHBondContact O-N 3.09Å; R148-V151 VanDerWaalsContact O-N 3.15Å; F149-V151 VanDerWaalsContact C-N 3.29Å; F149-V151 PolarHBondContact O-N 2.95Å; V151-F153 PolarHBondContact O-N 3Å; V151-Q154 PolarHBondContact O-N 3.44Å; V151-I155 HydrophobicContact CG1-CD1 3.97Å; V151-I155 HydrophobicContact CG1-CG1 4.42Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 2.98Å; V151-V202 HydrophobicContact CB-CG2 4.28Å; V151-V202 HydrophobicContact CG1-CG2 3.77Å; V151-M242 HydrophobicContact CG1-CE 3.83Å |
| 152 | V | 98.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.5 | -49 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | R148 F149 I155 S156 F195 A198 C199 V202 | R148-V152 WeakPolarHBondContact O-CG2 3.42Å; R148-V152 PolarHBondContact O-N 2.9Å; F149-V152 WeakPolarHBondContact O-CB 3.32Å; F149-V152 PolarHBondContact O-N 3.06Å; F149-V152 VanDerWaalsContact O-N 3.15Å; V152-I155 PolarHBondContact O-N 3.39Å; V152-S156 VanDerWaalsContact O-CB 3.31Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 2.92Å; V152-S156 PolarHBondContact O-OG 2.94Å; V152-F195 HydrophobicContact CG1-CD2 3.97Å; V152-F195 HydrophobicContact CG1-CE2 3.59Å; V152-F195 HydrophobicContact CG1-CZ 4.12Å; V152-A198 HydrophobicContact CG1-CB 4Å; V152-C199 VanDerWaalsContact CG1-SG 3.6Å; V152-V202 HydrophobicContact CG2-CB 3.66Å; V152-V202 HydrophobicContact CG2-CG1 3.92Å; V152-V202 HydrophobicContact CG2-CG2 3.72Å |
| 153 | F | 98 | Very high | 96.3 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 13% | 0.132 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | 179.4 | -73.6 | -64.8 | 0 | 0 | 0 | 111.5 | I85 G88 M89 S92 F149 L150 V151 S156 R157 F195 | I85-F153 HydrophobicContact CG2-CB 4.36Å; I85-F153 HydrophobicContact CG2-CD1 4.02Å; I85-F153 VanDerWaalsContact CG2-O 3.27Å; I85-F153 WeakPolarHBondContact CG2-O 3.47Å; I85-F153 WeakPolarHBondContact O-CD1 3.44Å; G88-F153 VanDerWaalsContact C-CE2 3.5Å; G88-F153 WeakPolarHBondContact O-CD2 3.32Å; G88-F153 WeakPolarHBondContact O-CE2 3.44Å; M89-F153 HydrophobicContact CB-CB 3.73Å; M89-F153 HydrophobicContact CB-CG 4.41Å; M89-F153 HydrophobicContact CG-CB 4.14Å; S92-F153 WeakPolarHBondContact OG-CD2 3.42Å; S92-F153 WeakPolarHBondContact OG-CE2 3.35Å; F149-F153 HydrophobicContact CB-CD2 4.33Å; F149-F153 HydrophobicContact CB-CE2 4.17Å; F149-F153 AromaticContact CD1-CE2 3.99Å; F149-F153 HydrophobicContact CD1-CE2 3.99Å; F149-F153 WeakPolarHBondContact O-CD2 3.43Å; F149-F153 PolarHBondContact O-N 3.37Å; L150-F153 PolarHBondContact O-N 2.77Å; V151-F153 PolarHBondContact O-N 3Å; F153-S156 PolarHBondContact O-N 3.2Å; F153-R157 WeakPolarHBondContact O-CB 3.44Å; F153-R157 PolarHBondContact O-N 3.24Å; F153-F195 HydrophobicContact CD1-CD2 4.44Å; F153-F195 AromaticContact CD1-CE2 3.94Å; F153-F195 HydrophobicContact CD1-CE2 3.94Å; F153-F195 HydrophobicContact CE1-CD2 4.26Å; F153-F195 AromaticContact CE1-CE2 3.51Å; F153-F195 HydrophobicContact CE1-CE2 3.51Å; F153-F195 HydrophobicContact CE1-CZ 4.33Å; F153-F195 AromaticContact CZ-CE2 3.97Å; F153-F195 HydrophobicContact CZ-CE2 3.97Å; F153-F195 HydrophobicContact CZ-CZ 4.41Å |
| 154 | Q | 97 | Very high | 96.6 | Very high | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 174.6 | -174.8 | -174.2 | 4.4 | 0 | 0 | 112.1 | M89 L150 V151 S156 R157 N158 I377 | M89-Q154 HydrophobicContact CE-CB 4.31Å; M89-Q154 HydrophobicContact CE-CG 4.48Å; L150-Q154 WeakPolarHBondContact O-CB 3.27Å; L150-Q154 PolarHBondContact O-N 2.81Å; V151-Q154 PolarHBondContact O-N 3.44Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 3.37Å; Q154-R157 WeakPolarHBondContact O-CB 3.4Å; Q154-R157 PolarHBondContact O-N 3.02Å; Q154-N158 VanDerWaalsContact O-CG 3.24Å; Q154-N158 PolarHBondContact O-N 3.13Å; Q154-N158 PolarHBondContact O-OD1 3.16Å; Q154-I377 HydrophobicContact CG-CG2 4.11Å |
| 155 | I | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 176.5 | -67.1 | 169.1 | 0 | 0 | 0 | 109.6 | V151 V152 R157 N158 W159 A198 I201 V202 M242 V245 Q246 | V151-I155 HydrophobicContact CG1-CD1 3.97Å; V151-I155 HydrophobicContact CG1-CG1 4.42Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 2.98Å; V152-I155 PolarHBondContact O-N 3.39Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 3.24Å; I155-N158 PolarHBondContact O-N 3.5Å; I155-W159 VanDerWaalsContact O-CD1 3.26Å; I155-W159 PolarHBondContact O-N 3.43Å; I155-A198 HydrophobicContact CB-CB 3.93Å; I155-A198 HydrophobicContact CG2-CB 3.71Å; I155-I201 HydrophobicContact CD1-CG2 4.41Å; I155-V202 HydrophobicContact CD1-CG2 3.75Å; I155-M242 HydrophobicContact CD1-CE 4.25Å; I155-V245 HydrophobicContact CD1-CG1 4.3Å; I155-V245 HydrophobicContact CG1-CG1 4.48Å; I155-V245 HydrophobicContact CG2-CG1 3.61Å; I155-Q246 HydrophobicContact CD1-CB 4.5Å; I155-Q246 HydrophobicContact CG1-CB 3.96Å; I155-Q246 HydrophobicContact CG1-CG 3.83Å |
| 156 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | V152 F153 Q154 S160 I194 F195 A198 | V152-S156 VanDerWaalsContact O-CB 3.31Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 2.92Å; V152-S156 PolarHBondContact O-OG 2.94Å; F153-S156 PolarHBondContact O-N 3.2Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 3.37Å; S156-S160 VanDerWaalsContact O-CB 3.32Å; S156-S160 WeakPolarHBondContact O-CB 3.46Å; S156-S160 PolarHBondContact O-N 3.04Å; S156-S160 PolarHBondContact O-OG 3.42Å; S156-I194 WeakPolarHBondContact O-CG2 3.49Å; S156-F195 WeakPolarHBondContact OG-CA 3.48Å; S156-A198 VanDerWaalsContact OG-CB 3.29Å; S156-A198 WeakPolarHBondContact OG-CB 3.47Å |
| 157 | R | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 177.4 | 177.7 | -126.5 | 163.7 | -138.3 | -8.2 | 110.4 | L82 I85 E86 F153 Q154 I155 W159 S160 V161 F341 E345 D380 | L82-R157 HydrophobicContact CD1-CB 4.34Å; L82-R157 HydrophobicContact CD1-CG 3.6Å; I85-R157 HydrophobicContact CG2-CB 3.81Å; E86-R157 HydrophobicContact CG-CG 3.87Å; E86-R157 WeakPolarHBondContact OE1-CG 3.39Å; E86-R157 IonicContact OE1-NE 3.77Å; E86-R157 PolarHBondContact OE1-NE 2.76Å; F153-R157 WeakPolarHBondContact O-CB 3.44Å; F153-R157 PolarHBondContact O-N 3.24Å; Q154-R157 WeakPolarHBondContact O-CB 3.4Å; Q154-R157 PolarHBondContact O-N 3.02Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 3.24Å; R157-W159 PolarHBondContact O-N 3.36Å; R157-S160 WeakPolarHBondContact O-CA 2.95Å; R157-S160 WeakPolarHBondContact O-CB 3.39Å; R157-S160 PolarHBondContact O-N 3.09Å; R157-V161 PolarHBondContact O-N 2.6Å; R157-F341 VanDerWaalsContact NH1-CD2 3.3Å; R157-E345 IonicContact CZ-OE1 3.77Å; R157-E345 IonicContact NH1-OE1 3.57Å; R157-E345 PolarHBondContact NH1-OE1 3.07Å; R157-D380 IonicContact CZ-OD2 3.3Å; R157-D380 IonicContact NH1-OD2 3.17Å; R157-D380 PolarHBondContact NH1-OD2 3.31Å; R157-D380 IonicContact NH2-OD1 3.48Å; R157-D380 PolarHBondContact NH2-OD1 3.23Å; R157-D380 IonicContact NH2-OD2 3.36Å; R157-D380 PolarHBondContact NH2-OD2 3.38Å |
| 158 | N | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | -178.2 | -69.4 | 5 | 0 | 0 | 0 | 111.4 | Q154 I155 S160 V161 V162 Q246 P250 F341 E345 | Q154-N158 VanDerWaalsContact O-CG 3.24Å; Q154-N158 PolarHBondContact O-N 3.13Å; Q154-N158 PolarHBondContact O-OD1 3.16Å; I155-N158 PolarHBondContact O-N 3.5Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.05Å; N158-V161 PolarHBondContact O-N 2.72Å; N158-V162 WeakPolarHBondContact O-CG2 3.49Å; N158-V162 PolarHBondContact O-N 3.31Å; N158-V162 VanDerWaalsContact O-N 3.09Å; N158-Q246 PolarHBondContact ND2-O 3.35Å; N158-P250 HydrophobicContact CB-CB 3.75Å; N158-P250 HydrophobicContact CB-CG 3.81Å; N158-F341 HydrophobicContact CB-CE2 4.01Å; N158-F341 HydrophobicContact CB-CZ 4.19Å; N158-F341 WeakPolarHBondContact OD1-CE2 3.44Å; N158-E345 PolarHBondContact ND2-OE1 3.37Å; N158-E345 PolarHBondContact OD1-OE1 3.23Å; N158-E345 VanDerWaalsContact OD1-OE1 3.1Å |
| 159 | W | 98.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 19.8 Ų | 19.8 | 31% | 0.311 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -71 | -23.9 | 174.4 | -73.3 | 99.1 | 0 | 0 | 0 | 113.9 | I155 R157 V162 L163 I194 V245 P250 | I155-W159 VanDerWaalsContact O-CD1 3.26Å; I155-W159 PolarHBondContact O-N 3.43Å; R157-W159 PolarHBondContact O-N 3.36Å; W159-V162 HydrophobicContact CE3-CB 4.18Å; W159-V162 HydrophobicContact CE3-CG1 4.18Å; W159-V162 HydrophobicContact CE3-CG2 4.15Å; W159-V162 HydrophobicContact CZ3-CG1 4.32Å; W159-V162 WeakPolarHBondContact O-CB 3.47Å; W159-V162 PolarHBondContact O-N 3.14Å; W159-L163 PolarHBondContact O-N 3.19Å; W159-I194 HydrophobicContact CB-CD1 4.3Å; W159-I194 HydrophobicContact CB-CG1 4.34Å; W159-I194 HydrophobicContact CB-CG2 3.77Å; W159-V245 PolarHBondContact NE1-O 3.31Å; W159-P250 HydrophobicContact CD2-CG 4.22Å; W159-P250 HydrophobicContact CG-CG 4.42Å; W159-P250 HydrophobicContact CZ2-CG 4.18Å |
| 160 | S | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.6 | -33.3 | 171 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | I85 S156 R157 N158 L163 L164 L191 | I85-S160 VanDerWaalsContact CD1-OG 3.22Å; I85-S160 WeakPolarHBondContact CD1-OG 3.33Å; S156-S160 VanDerWaalsContact O-CB 3.32Å; S156-S160 WeakPolarHBondContact O-CB 3.46Å; S156-S160 PolarHBondContact O-N 3.04Å; S156-S160 PolarHBondContact O-OG 3.42Å; R157-S160 WeakPolarHBondContact O-CA 2.95Å; R157-S160 WeakPolarHBondContact O-CB 3.39Å; R157-S160 PolarHBondContact O-N 3.09Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.05Å; S160-L163 WeakPolarHBondContact O-CB 3.48Å; S160-L163 PolarHBondContact O-N 2.85Å; S160-L164 PolarHBondContact O-N 3.05Å; S160-L191 WeakPolarHBondContact OG-CD2 3.24Å |
| 161 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 170.9 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | L82 R157 N158 L163 L164 A165 V254 F341 | L82-V161 HydrophobicContact CD1-CG2 4.24Å; L82-V161 HydrophobicContact CD2-CG2 4.23Å; R157-V161 PolarHBondContact O-N 2.6Å; N158-V161 PolarHBondContact O-N 2.72Å; V161-L163 VanDerWaalsContact C-N 3.32Å; V161-L163 PolarHBondContact O-N 3.31Å; V161-L164 WeakPolarHBondContact O-CB 2.84Å; V161-L164 PolarHBondContact O-N 3.33Å; V161-L164 VanDerWaalsContact O-N 3.14Å; V161-A165 PolarHBondContact O-N 3.43Å; V161-V254 HydrophobicContact CG1-CG2 4.01Å; V161-F341 HydrophobicContact CB-CD2 3.86Å; V161-F341 HydrophobicContact CB-CE2 4.13Å; V161-F341 HydrophobicContact CB-CG 4.22Å; V161-F341 HydrophobicContact CG1-CB 3.88Å; V161-F341 HydrophobicContact CG1-CD1 4.08Å; V161-F341 HydrophobicContact CG1-CD2 3.82Å; V161-F341 HydrophobicContact CG1-CE2 4.43Å; V161-F341 HydrophobicContact CG1-CG 3.65Å; V161-F341 HydrophobicContact CG2-CD2 3.77Å; V161-F341 HydrophobicContact CG2-CE2 4.26Å; V161-F341 HydrophobicContact CG2-CG 4.39Å |
| 162 | V | 98.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 169.8 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | N158 W159 L164 A165 A166 P250 C253 V254 L257 | N158-V162 WeakPolarHBondContact O-CG2 3.49Å; N158-V162 PolarHBondContact O-N 3.31Å; N158-V162 VanDerWaalsContact O-N 3.09Å; W159-V162 HydrophobicContact CE3-CB 4.18Å; W159-V162 HydrophobicContact CE3-CG1 4.18Å; W159-V162 HydrophobicContact CE3-CG2 4.15Å; W159-V162 HydrophobicContact CZ3-CG1 4.32Å; W159-V162 WeakPolarHBondContact O-CB 3.47Å; W159-V162 PolarHBondContact O-N 3.14Å; V162-L164 VanDerWaalsContact C-N 3.29Å; V162-L164 PolarHBondContact O-N 3.37Å; V162-A165 PolarHBondContact O-N 3.42Å; V162-A166 WeakPolarHBondContact O-CB 3.21Å; V162-A166 PolarHBondContact O-N 3.21Å; V162-P250 HydrophobicContact CG2-CB 3.88Å; V162-C253 HydrophobicContact CG1-CB 3.85Å; V162-C253 HydrophobicContact CG2-CB 3.94Å; V162-V254 HydrophobicContact CG2-CG2 4Å; V162-L257 HydrophobicContact CG1-CD1 4.44Å |
| 163 | L | 97.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 174.9 | 175.7 | 62.3 | 0 | 0 | 0 | 111.7 | I78 W159 S160 V161 A166 Y167 F182 I190 L191 I194 | I78-L163 HydrophobicContact CD1-CG 4.32Å; I78-L163 HydrophobicContact CG1-CD2 4.4Å; I78-L163 HydrophobicContact CG2-CD2 4.45Å; I78-L163 HydrophobicContact CG2-CG 4.46Å; W159-L163 PolarHBondContact O-N 3.19Å; S160-L163 WeakPolarHBondContact O-CB 3.48Å; S160-L163 PolarHBondContact O-N 2.85Å; V161-L163 VanDerWaalsContact C-N 3.32Å; V161-L163 PolarHBondContact O-N 3.31Å; L163-A166 PolarHBondContact O-N 3.4Å; L163-Y167 VanDerWaalsContact O-CB 3.28Å; L163-Y167 WeakPolarHBondContact O-CB 3.44Å; L163-Y167 PolarHBondContact O-N 3.44Å; L163-F182 HydrophobicContact CD1-CD1 3.73Å; L163-F182 HydrophobicContact CD1-CE1 3.58Å; L163-F182 HydrophobicContact CD1-CZ 4.48Å; L163-I190 HydrophobicContact CD1-CD1 4.42Å; L163-I190 HydrophobicContact CD1-CG2 4.02Å; L163-I190 HydrophobicContact CD2-CB 4.42Å; L163-I190 HydrophobicContact CD2-CG2 3.84Å; L163-L191 HydrophobicContact CD2-CD2 3.97Å; L163-L191 HydrophobicContact CD2-CG 4.13Å; L163-I194 HydrophobicContact CD2-CD1 4.42Å |
| 164 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.7 | -171.3 | 69 | 0 | 0 | 0 | 111.7 | M75 I78 L79 S160 V161 V162 Y167 R168 M334 V337 | M75-L164 HydrophobicContact CG-CD1 4.43Å; I78-L164 HydrophobicContact CB-CD1 4.2Å; I78-L164 HydrophobicContact CD1-CD1 4.45Å; I78-L164 HydrophobicContact CG2-CB 4.01Å; I78-L164 HydrophobicContact CG2-CD1 3.8Å; L79-L164 HydrophobicContact CD2-CD1 4.21Å; L79-L164 HydrophobicContact CD2-CD2 3.92Å; L79-L164 HydrophobicContact CG-CD1 4.47Å; S160-L164 PolarHBondContact O-N 3.05Å; V161-L164 WeakPolarHBondContact O-CB 2.84Å; V161-L164 PolarHBondContact O-N 3.33Å; V161-L164 VanDerWaalsContact O-N 3.14Å; V162-L164 VanDerWaalsContact C-N 3.29Å; V162-L164 PolarHBondContact O-N 3.37Å; L164-Y167 PolarHBondContact O-N 2.91Å; L164-R168 WeakPolarHBondContact O-CB 3.44Å; L164-R168 PolarHBondContact O-N 3.08Å; L164-M334 HydrophobicContact CD1-CG 3.94Å; L164-M334 HydrophobicContact CD1-SD 4.16Å; L164-M334 HydrophobicContact CD2-CB 4.48Å; L164-M334 HydrophobicContact CG-CB 4.38Å; L164-M334 HydrophobicContact CG-CG 4.29Å; L164-V337 HydrophobicContact CD2-CB 4Å; L164-V337 HydrophobicContact CD2-CG1 3.81Å |
| 165 | A | 96.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V161 V162 R168 Y169 V254 L257 | V161-A165 PolarHBondContact O-N 3.43Å; V162-A165 PolarHBondContact O-N 3.42Å; A165-R168 PolarHBondContact O-N 2.9Å; A165-Y169 WeakPolarHBondContact O-CB 3.44Å; A165-Y169 PolarHBondContact O-N 2.94Å; A165-V254 HydrophobicContact CB-CG2 4.32Å; A165-L257 HydrophobicContact CB-CB 4.06Å; A165-L257 HydrophobicContact CB-CD1 3.95Å |
| 166 | A | 96.5 | Very high | 93 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V162 L163 R168 Y169 D170 F182 L257 | V162-A166 WeakPolarHBondContact O-CB 3.21Å; V162-A166 PolarHBondContact O-N 3.21Å; L163-A166 PolarHBondContact O-N 3.4Å; A166-R168 VanDerWaalsContact C-N 3.33Å; A166-R168 PolarHBondContact O-N 3.25Å; A166-Y169 WeakPolarHBondContact O-CB 3.39Å; A166-Y169 PolarHBondContact O-N 2.96Å; A166-D170 PolarHBondContact O-N 3.19Å; A166-F182 HydrophobicContact CB-CE2 4.07Å; A166-F182 HydrophobicContact CB-CZ 3.73Å; A166-L257 HydrophobicContact CB-CD1 4.02Å |
| 167 | Y | 94.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.7 | 169 | -100.4 | 0 | 0 | 0 | 111.5 | I74 M75 I78 L163 L164 D170 Q171 F182 M334 | I74-Y167 HydrophobicContact CB-CE2 3.66Å; I74-Y167 HydrophobicContact CD1-CE2 4.05Å; I74-Y167 HydrophobicContact CG1-CE2 4.46Å; I74-Y167 HydrophobicContact CG2-CD2 3.8Å; I74-Y167 HydrophobicContact CG2-CE2 3.36Å; M75-Y167 HydrophobicContact CB-CE1 4.06Å; I78-Y167 HydrophobicContact CD1-CD1 4.02Å; I78-Y167 HydrophobicContact CD1-CD2 4.22Å; I78-Y167 HydrophobicContact CD1-CG 3.67Å; L163-Y167 VanDerWaalsContact O-CB 3.28Å; L163-Y167 WeakPolarHBondContact O-CB 3.44Å; L163-Y167 PolarHBondContact O-N 3.44Å; L164-Y167 PolarHBondContact O-N 2.91Å; Y167-D170 PolarHBondContact O-N 2.86Å; Y167-Q171 HydrophobicContact CD1-CG 4.37Å; Y167-Q171 HydrophobicContact CD2-CG 4.31Å; Y167-Q171 HydrophobicContact CE1-CG 3.82Å; Y167-Q171 HydrophobicContact CE2-CG 3.76Å; Y167-Q171 VanDerWaalsContact CE2-NE2 3.31Å; Y167-Q171 VanDerWaalsContact CZ-CG 3.48Å; Y167-Q171 WeakPolarHBondContact O-CG 3.13Å; Y167-Q171 PolarHBondContact O-N 2.82Å; Y167-F182 HydrophobicContact CD2-CB 3.99Å; Y167-M334 HydrophobicContact CD1-SD 3.85Å; Y167-M334 HydrophobicContact CE1-SD 3.89Å |
| 168 | R | 93 | Very high | 91.5 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 177 | -177.4 | 179.5 | 176.8 | -142.9 | 0.9 | 111.6 | L164 A165 A166 Q171 I172 V261 M334 | L164-R168 WeakPolarHBondContact O-CB 3.44Å; L164-R168 PolarHBondContact O-N 3.08Å; A165-R168 PolarHBondContact O-N 2.9Å; A166-R168 VanDerWaalsContact C-N 3.33Å; A166-R168 PolarHBondContact O-N 3.25Å; R168-Q171 PolarHBondContact O-N 2.97Å; R168-I172 HydrophobicContact CG-CD1 3.78Å; R168-I172 WeakPolarHBondContact O-CB 3.45Å; R168-I172 WeakPolarHBondContact O-CG1 3.47Å; R168-I172 PolarHBondContact O-N 3.32Å; R168-V261 HydrophobicContact CG-CG1 4.42Å; R168-V261 HydrophobicContact CG-CG2 4.4Å; R168-V261 VanDerWaalsContact CZ-CG1 3.44Å; R168-M334 HydrophobicContact CB-CE 4.34Å; R168-M334 HydrophobicContact CB-SD 4.21Å; R168-M334 HydrophobicContact CG-CE 4.11Å |
| 169 | Y | 93.4 | Very high | 91 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 173.6 | 175.6 | -95.2 | 0 | 0 | 0 | 111.2 | A165 A166 Q171 I172 C173 L257 F260 V261 I264 | A165-Y169 WeakPolarHBondContact O-CB 3.44Å; A165-Y169 PolarHBondContact O-N 2.94Å; A166-Y169 WeakPolarHBondContact O-CB 3.39Å; A166-Y169 PolarHBondContact O-N 2.96Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Y169-I172 PolarHBondContact O-N 2.92Å; Y169-C173 WeakPolarHBondContact CD2-SG 3.47Å; Y169-C173 HydrophobicContact CE1-CB 4.33Å; Y169-C173 HydrophobicContact CE2-CB 4.35Å; Y169-C173 WeakPolarHBondContact CE2-SG 3.49Å; Y169-C173 VanDerWaalsContact CZ-SG 3.53Å; Y169-C173 VanDerWaalsContact O-CB 3.3Å; Y169-C173 WeakPolarHBondContact O-CB 3.47Å; Y169-C173 PolarHBondContact O-N 3.29Å; Y169-C173 PolarHBondContact O-SG 2.84Å; Y169-L257 HydrophobicContact CD1-CD2 4.37Å; Y169-L257 HydrophobicContact CD2-CD2 4.46Å; Y169-L257 HydrophobicContact CG-CD2 4.05Å; Y169-F260 HydrophobicContact CD2-CB 3.96Å; Y169-F260 HydrophobicContact CE2-CB 3.72Å; Y169-F260 HydrophobicContact CE2-CG 4.29Å; Y169-V261 HydrophobicContact CD2-CG2 4.17Å; Y169-I264 HydrophobicContact CE2-CD1 4.48Å |
| 170 | D | 92.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 175.8 | 176.8 | 81.4 | 0 | 0 | 0 | 111.5 | A166 Y167 I172 C173 R174 S180 A181 F182 | A166-D170 PolarHBondContact O-N 3.19Å; Y167-D170 PolarHBondContact O-N 2.86Å; D170-I172 PolarHBondContact O-N 3.27Å; D170-C173 PolarHBondContact O-N 3.48Å; D170-R174 WeakPolarHBondContact O-CB 3.41Å; D170-R174 PolarHBondContact O-N 2.99Å; D170-R174 IonicContact OD2-CZ 3.23Å; D170-R174 IonicContact OD2-NH1 3.24Å; D170-R174 PolarHBondContact OD2-NH1 3.45Å; D170-S180 PolarHBondContact OD2-OG 2.97Å; D170-A181 PolarHBondContact OD1-N 2.96Å; D170-F182 HydrophobicContact CB-CD2 3.78Å; D170-F182 HydrophobicContact CB-CE2 3.97Å |
| 171 | Q | 90 | Very high | 90.2 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -34.4 | 179 | -71.1 | -59.1 | -39 | 0 | 0 | 113.8 | Y167 R168 Y169 R174 | Y167-Q171 HydrophobicContact CD1-CG 4.37Å; Y167-Q171 HydrophobicContact CD2-CG 4.31Å; Y167-Q171 HydrophobicContact CE1-CG 3.82Å; Y167-Q171 HydrophobicContact CE2-CG 3.76Å; Y167-Q171 VanDerWaalsContact CE2-NE2 3.31Å; Y167-Q171 VanDerWaalsContact CZ-CG 3.48Å; Y167-Q171 WeakPolarHBondContact O-CG 3.13Å; Y167-Q171 PolarHBondContact O-N 2.82Å; R168-Q171 PolarHBondContact O-N 2.97Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Q171-R174 VanDerWaalsContact CD-NH1 3.35Å |
| 172 | I | 88.7 | Confident | 90 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -85.9 | -40.8 | -176.1 | -68.3 | 172.1 | 0 | 0 | 0 | 110.9 | R168 Y169 D170 V261 I264 I265 R268 | R168-I172 HydrophobicContact CG-CD1 3.78Å; R168-I172 WeakPolarHBondContact O-CB 3.45Å; R168-I172 WeakPolarHBondContact O-CG1 3.47Å; R168-I172 PolarHBondContact O-N 3.32Å; Y169-I172 PolarHBondContact O-N 2.92Å; D170-I172 PolarHBondContact O-N 3.27Å; I172-V261 HydrophobicContact CD1-CB 4.38Å; I172-V261 HydrophobicContact CD1-CG1 3.35Å; I172-V261 HydrophobicContact CD1-CG2 4.23Å; I172-I264 HydrophobicContact CG2-CB 4.23Å; I172-I264 HydrophobicContact CG2-CG2 3.71Å; I172-I265 HydrophobicContact CD1-CD1 4.04Å; I172-I265 HydrophobicContact CD1-CG1 4.35Å; I172-I265 HydrophobicContact CG2-CG1 4.43Å; I172-R268 PolarHBondContact O-NH1 3.12Å; I172-R268 PolarHBondContact O-NH2 3.36Å |
| 173 | C | 86.6 | Confident | 89.7 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -84.9 | -24.1 | -174.3 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | Y169 D170 I264 | Y169-C173 WeakPolarHBondContact CD2-SG 3.47Å; Y169-C173 HydrophobicContact CE1-CB 4.33Å; Y169-C173 HydrophobicContact CE2-CB 4.35Å; Y169-C173 WeakPolarHBondContact CE2-SG 3.49Å; Y169-C173 VanDerWaalsContact CZ-SG 3.53Å; Y169-C173 VanDerWaalsContact O-CB 3.3Å; Y169-C173 WeakPolarHBondContact O-CB 3.47Å; Y169-C173 PolarHBondContact O-N 3.29Å; Y169-C173 PolarHBondContact O-SG 2.84Å; D170-C173 PolarHBondContact O-N 3.48Å; C173-I264 HydrophobicContact CB-CD1 4.34Å; C173-I264 WeakPolarHBondContact SG-CD1 3.47Å |
| 174 | R | 83.4 | Confident | 89.3 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -60.8 | 128.2 | -172.8 | -174.1 | 172.8 | 72.5 | -118.9 | -11.1 | 112 | D170 Q171 S178 P179 | D170-R174 WeakPolarHBondContact O-CB 3.41Å; D170-R174 PolarHBondContact O-N 2.99Å; D170-R174 IonicContact OD2-CZ 3.23Å; D170-R174 IonicContact OD2-NH1 3.24Å; D170-R174 PolarHBondContact OD2-NH1 3.45Å; Q171-R174 VanDerWaalsContact CD-NH1 3.35Å; R174-S178 WeakPolarHBondContact CD-O 3.39Å; R174-S178 PolarHBondContact NE-O 3.16Å; R174-P179 WeakPolarHBondContact CD-O 3.42Å |
| 175 | P | 78.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 147.9 | 170.3 | -22.7 | 33 | 0 | 0 | 0 | 111.5 | G177 S178 | P175-G177 PolarHBondContact O-N 3.06Å; P175-S178 PolarHBondContact O-N 3.48Å; P175-S178 VanDerWaalsContact O-N 3.15Å |
| 176 | I | 78.6 | Confident | 89 | Confident | 185 Ų | 185 | 63.7 Ų | 63.7 | 95% | 0.949 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 127.6 | 176.5 | -60.2 | 172.4 | 0 | 0 | 0 | 108.6 | ||
| 177 | G | 79.7 | Confident | 89.1 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -13.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P175 | P175-G177 PolarHBondContact O-N 3.06Š|
| 178 | S | 85.6 | Confident | 89.1 | Confident | 56 Ų | 56 | 70 Ų | 70 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 142.1 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | R174 P175 | R174-S178 WeakPolarHBondContact CD-O 3.39Å; R174-S178 PolarHBondContact NE-O 3.16Å; P175-S178 PolarHBondContact O-N 3.48Å; P175-S178 VanDerWaalsContact O-N 3.15Å |
| 179 | P | 87.7 | Confident | 89.3 | Confident | 112 Ų | 112 | 76.7 Ų | 76.7 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 148 | 172.5 | 27 | -34.4 | 0 | 0 | 0 | 111.3 | R174 | R174-P179 WeakPolarHBondContact CD-O 3.42Š|
| 180 | S | 89.3 | Confident | 89.5 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 135.4 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | D170 F182 | D170-S180 PolarHBondContact OD2-OG 2.97Å; S180-F182 PolarHBondContact O-N 2.62Å; S180-F182 VanDerWaalsContact OG-C 3.28Å; S180-F182 PolarHBondContact OG-N 2.88Å; S180-F182 VanDerWaalsContact OG-N 3.07Å; S180-F182 PolarHBondContact OG-O 3.42Å |
| 181 | A | 90.4 | Very high | 89.8 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 51% | 0.512 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -62.6 | -22.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D170 P183 | D170-A181 PolarHBondContact OD1-N 2.96Å; A181-P183 VanDerWaalsContact C-CD 3.43Å; A181-P183 WeakPolarHBondContact O-CD 3.27Å |
| 182 | F | 92.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 17% | 0.167 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -117 | 74.5 | -178 | -58.9 | -76.3 | 0 | 0 | 0 | 110.8 | L163 A166 Y167 D170 S180 I187 I190 | L163-F182 HydrophobicContact CD1-CD1 3.73Å; L163-F182 HydrophobicContact CD1-CE1 3.58Å; L163-F182 HydrophobicContact CD1-CZ 4.48Å; A166-F182 HydrophobicContact CB-CE2 4.07Å; A166-F182 HydrophobicContact CB-CZ 3.73Å; Y167-F182 HydrophobicContact CD2-CB 3.99Å; D170-F182 HydrophobicContact CB-CD2 3.78Å; D170-F182 HydrophobicContact CB-CE2 3.97Å; S180-F182 PolarHBondContact O-N 2.62Å; S180-F182 VanDerWaalsContact OG-C 3.28Å; S180-F182 PolarHBondContact OG-N 2.88Å; S180-F182 VanDerWaalsContact OG-N 3.07Å; S180-F182 PolarHBondContact OG-O 3.42Å; F182-I187 HydrophobicContact CB-CD1 3.97Å; F182-I187 HydrophobicContact CD1-CD1 4.43Å; F182-I190 HydrophobicContact CD1-CD1 4.06Å; F182-I190 HydrophobicContact CE1-CD1 4.48Å |
| 183 | P | 91.5 | Very high | 90.7 | Very high | 31 Ų | 31 | 79.5 Ų | 79.5 | 20% | 0.201 | 42% | 0.422 | C | S | . | . | trans | -68.8 | 152.6 | 173.1 | 31.1 | -35.2 | 0 | 0 | 0 | 110.4 | A181 E185 R186 I187 | A181-P183 VanDerWaalsContact C-CD 3.43Å; A181-P183 WeakPolarHBondContact O-CD 3.27Å; P183-E185 PolarHBondContact O-N 3.45Å; P183-R186 HydrophobicContact CG-CB 3.97Å; P183-R186 VanDerWaalsContact CG-CD 3.45Å; P183-R186 HydrophobicContact CG-CG 3.67Å; P183-R186 PolarHBondContact O-N 3.17Å; P183-R186 VanDerWaalsContact O-N 3.09Å; P183-I187 PolarHBondContact O-N 2.98Å | ||
| 184 | R | 90.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 78.9 Ų | 78.9 | 27% | 0.272 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.8 | -169.4 | -173.5 | 175 | 167.3 | -131.9 | -7.6 | 112.8 | K71 I74 R77 | K71-R184 PolarHBondContact O-NE 3.37Å; K71-R184 PolarHBondContact O-NH2 3.29Å; I74-R184 HydrophobicContact CD1-CB 4.33Å; I74-R184 HydrophobicContact CG1-CB 3.83Å; I74-R184 HydrophobicContact CG1-CG 4.12Å; R77-R184 PolarHBondContact NH1-O 3.04Å; R77-R184 VanDerWaalsContact NH2-CZ 3.32Å; R77-R184 VanDerWaalsContact NH2-NH2 3.15Å |
| 185 | E | 91.6 | Very high | 91.9 | Very high | 120 Ų | 120 | 79.3 Ų | 79.3 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -36 | -178.4 | -58.1 | 67.6 | -141.3 | 0 | 0 | 110.7 | P183 Y189 | P183-E185 PolarHBondContact O-N 3.45Å; E185-Y189 WeakPolarHBondContact O-CD2 3.37Å; E185-Y189 WeakPolarHBondContact O-CE2 3.45Å |
| 186 | R | 95.1 | Very high | 92.9 | Very high | 157 Ų | 157 | 80.9 Ų | 80.9 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -79.2 | -27.2 | -176.4 | -68.1 | -176.5 | -166.3 | 170.5 | -1.5 | 113.7 | P183 R188 Y189 I190 | P183-R186 HydrophobicContact CG-CB 3.97Å; P183-R186 VanDerWaalsContact CG-CD 3.45Å; P183-R186 HydrophobicContact CG-CG 3.67Å; P183-R186 PolarHBondContact O-N 3.17Å; P183-R186 VanDerWaalsContact O-N 3.09Å; R186-R188 VanDerWaalsContact C-N 3.25Å; R186-R188 PolarHBondContact O-N 2.94Å; R186-R188 VanDerWaalsContact O-N 3.16Å; R186-Y189 PolarHBondContact O-N 3.37Å; R186-I190 HydrophobicContact CB-CD1 4.38Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.35Å |
| 187 | I | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -52.2 | -42.4 | -176.9 | -63.7 | -54.1 | 0 | 0 | 0 | 112.9 | I74 R77 I78 F182 P183 Y189 I190 L191 | I74-I187 HydrophobicContact CG2-CD1 4.02Å; I74-I187 HydrophobicContact CG2-CG1 3.68Å; R77-I187 HydrophobicContact CB-CG2 4.07Å; I78-I187 HydrophobicContact CD1-CD1 4.2Å; I78-I187 HydrophobicContact CG1-CD1 4.18Å; I78-I187 HydrophobicContact CG1-CG1 4.42Å; I78-I187 HydrophobicContact CG1-CG2 3.7Å; F182-I187 HydrophobicContact CB-CD1 3.97Å; F182-I187 HydrophobicContact CD1-CD1 4.43Å; P183-I187 PolarHBondContact O-N 2.98Å; I187-Y189 VanDerWaalsContact C-N 3.34Å; I187-Y189 PolarHBondContact O-N 3.33Å; I187-I190 HydrophobicContact CD1-CD1 4.43Å; I187-I190 PolarHBondContact O-N 3.45Å; I187-L191 HydrophobicContact CG2-CD1 3.95Å; I187-L191 HydrophobicContact CG2-CG 4.49Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 3.3Å |
| 188 | R | 96 | Very high | 94.7 | Very high | 173 Ų | 173 | 72.6 Ų | 72.6 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 179.3 | 179.7 | -178.9 | 177.4 | -177.2 | -0.4 | 111.1 | R186 L191 I192 | R186-R188 VanDerWaalsContact C-N 3.25Å; R186-R188 PolarHBondContact O-N 2.94Å; R186-R188 VanDerWaalsContact O-N 3.16Å; R188-L191 PolarHBondContact O-N 3.33Å; R188-I192 HydrophobicContact CG-CD1 3.83Å; R188-I192 WeakPolarHBondContact O-CD1 3.44Å; R188-I192 VanDerWaalsContact O-CG1 3.23Å; R188-I192 WeakPolarHBondContact O-CG1 3.48Å; R188-I192 PolarHBondContact O-N 2.92Å |
| 189 | Y | 97.4 | Very high | 95.3 | Very high | 150 Ų | 150 | 71.4 Ų | 71.4 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68 | -38.7 | 179.6 | -59.5 | -76.1 | 0 | 0 | 0 | 111.6 | E185 R186 I187 L191 I192 I193 | E185-Y189 WeakPolarHBondContact O-CD2 3.37Å; E185-Y189 WeakPolarHBondContact O-CE2 3.45Å; R186-Y189 PolarHBondContact O-N 3.37Å; I187-Y189 VanDerWaalsContact C-N 3.34Å; I187-Y189 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 3.45Å; Y189-I192 PolarHBondContact O-N 2.7Å; Y189-I193 WeakPolarHBondContact O-CB 3.07Å; Y189-I193 WeakPolarHBondContact O-CD1 3.36Å; Y189-I193 WeakPolarHBondContact O-CG1 2.96Å; Y189-I193 PolarHBondContact O-N 2.91Å |
| 190 | I | 98.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.1 | -62.4 | 168.5 | 0 | 0 | 0 | 110.6 | L163 F182 R186 I187 I192 I193 I194 | L163-I190 HydrophobicContact CD1-CD1 4.42Å; L163-I190 HydrophobicContact CD1-CG2 4.02Å; L163-I190 HydrophobicContact CD2-CB 4.42Å; L163-I190 HydrophobicContact CD2-CG2 3.84Å; F182-I190 HydrophobicContact CD1-CD1 4.06Å; F182-I190 HydrophobicContact CE1-CD1 4.48Å; R186-I190 HydrophobicContact CB-CD1 4.38Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.35Å; I187-I190 HydrophobicContact CD1-CD1 4.43Å; I187-I190 PolarHBondContact O-N 3.45Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I190-I192 PolarHBondContact O-N 3.19Å; I190-I193 PolarHBondContact O-N 2.85Å; I190-I194 HydrophobicContact CG2-CD1 3.93Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 3.38Å |
| 191 | L | 98.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.6 | -71.4 | 165.5 | 0 | 0 | 0 | 112.5 | I85 S160 L163 I187 R188 Y189 I194 F195 | I85-L191 HydrophobicContact CD1-CD2 4.35Å; S160-L191 WeakPolarHBondContact OG-CD2 3.24Å; L163-L191 HydrophobicContact CD2-CD2 3.97Å; L163-L191 HydrophobicContact CD2-CG 4.13Å; I187-L191 HydrophobicContact CG2-CD1 3.95Å; I187-L191 HydrophobicContact CG2-CG 4.49Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 3.3Å; R188-L191 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 3.45Å; L191-I194 PolarHBondContact O-N 3.12Å; L191-F195 PolarHBondContact O-N 2.99Å |
| 192 | I | 98.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.6 | -71.5 | 169 | 0 | 0 | 0 | 110.6 | R188 Y189 I190 F195 F196 | R188-I192 HydrophobicContact CG-CD1 3.83Å; R188-I192 WeakPolarHBondContact O-CD1 3.44Å; R188-I192 VanDerWaalsContact O-CG1 3.23Å; R188-I192 WeakPolarHBondContact O-CG1 3.48Å; R188-I192 PolarHBondContact O-N 2.92Å; Y189-I192 PolarHBondContact O-N 2.7Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I190-I192 PolarHBondContact O-N 3.19Å; I192-F195 PolarHBondContact O-N 3.44Å; I192-F196 HydrophobicContact CG2-CD2 3.5Å; I192-F196 VanDerWaalsContact CG2-CD2 3.5Å; I192-F196 HydrophobicContact CG2-CE2 3.42Å; I192-F196 VanDerWaalsContact CG2-CE2 3.42Å; I192-F196 WeakPolarHBondContact O-CD2 3.22Å; I192-F196 PolarHBondContact O-N 3.07Å |
| 193 | I | 98.4 | Very high | 96.7 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.1 | -70.1 | 163.5 | 0 | 0 | 0 | 110.7 | Y189 I190 F195 F196 L197 | Y189-I193 WeakPolarHBondContact O-CB 3.07Å; Y189-I193 WeakPolarHBondContact O-CD1 3.36Å; Y189-I193 WeakPolarHBondContact O-CG1 2.96Å; Y189-I193 PolarHBondContact O-N 2.91Å; I190-I193 PolarHBondContact O-N 2.85Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 PolarHBondContact O-N 2.81Å; I193-F196 PolarHBondContact O-N 3.36Å; I193-L197 HydrophobicContact CG2-CD1 3.73Å; I193-L197 HydrophobicContact CG2-CG 4.13Å; I193-L197 WeakPolarHBondContact O-CB 3.44Å; I193-L197 VanDerWaalsContact O-CG 3.3Å; I193-L197 WeakPolarHBondContact O-CG 3.23Å; I193-L197 PolarHBondContact O-N 3.39Å |
| 194 | I | 98.5 | Very high | 96.9 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 175 | -74.3 | 167.2 | 0 | 0 | 0 | 110.3 | S156 W159 L163 I190 L191 L197 A198 | S156-I194 WeakPolarHBondContact O-CG2 3.49Å; W159-I194 HydrophobicContact CB-CD1 4.3Å; W159-I194 HydrophobicContact CB-CG1 4.34Å; W159-I194 HydrophobicContact CB-CG2 3.77Å; L163-I194 HydrophobicContact CD2-CD1 4.42Å; I190-I194 HydrophobicContact CG2-CD1 3.93Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 3.38Å; L191-I194 PolarHBondContact O-N 3.12Å; I194-L197 PolarHBondContact O-N 3.05Å; I194-A198 WeakPolarHBondContact O-CB 3.43Å; I194-A198 PolarHBondContact O-N 2.87Å |
| 195 | F | 98.5 | Very high | 97.1 | Very high | 53 Ų | 53 | 70.6 Ų | 70.6 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 178.8 | -179 | -98.1 | 0 | 0 | 0 | 112.6 | F149 V152 F153 S156 L191 I192 I193 L197 A198 C199 | F149-F195 HydrophobicContact CE1-CZ 4.45Å; V152-F195 HydrophobicContact CG1-CD2 3.97Å; V152-F195 HydrophobicContact CG1-CE2 3.59Å; V152-F195 HydrophobicContact CG1-CZ 4.12Å; F153-F195 HydrophobicContact CD1-CD2 4.44Å; F153-F195 AromaticContact CD1-CE2 3.94Å; F153-F195 HydrophobicContact CD1-CE2 3.94Å; F153-F195 HydrophobicContact CE1-CD2 4.26Å; F153-F195 AromaticContact CE1-CE2 3.51Å; F153-F195 HydrophobicContact CE1-CE2 3.51Å; F153-F195 HydrophobicContact CE1-CZ 4.33Å; F153-F195 AromaticContact CZ-CE2 3.97Å; F153-F195 HydrophobicContact CZ-CE2 3.97Å; F153-F195 HydrophobicContact CZ-CZ 4.41Å; S156-F195 WeakPolarHBondContact OG-CA 3.48Å; L191-F195 PolarHBondContact O-N 2.99Å; I192-F195 PolarHBondContact O-N 3.44Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 PolarHBondContact O-N 2.81Å; F195-L197 PolarHBondContact O-N 2.94Å; F195-A198 WeakPolarHBondContact O-CB 3.33Å; F195-A198 PolarHBondContact O-N 2.89Å; F195-C199 VanDerWaalsContact CE1-SG 3.6Å; F195-C199 PolarHBondContact O-N 3.35Å; F195-C199 PolarHBondContact O-SG 3.16Å; F195-C199 VanDerWaalsContact O-SG 3.37Å |
| 196 | F | 98.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 67.5 Ų | 67.5 | 55% | 0.548 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.5 | -81.7 | -67 | 0 | 0 | 0 | 112.9 | I192 I193 A198 C199 L200 | I192-F196 HydrophobicContact CG2-CD2 3.5Å; I192-F196 VanDerWaalsContact CG2-CD2 3.5Å; I192-F196 HydrophobicContact CG2-CE2 3.42Å; I192-F196 VanDerWaalsContact CG2-CE2 3.42Å; I192-F196 WeakPolarHBondContact O-CD2 3.22Å; I192-F196 PolarHBondContact O-N 3.07Å; I193-F196 PolarHBondContact O-N 3.36Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 2.8Å; F196-C199 WeakPolarHBondContact O-CB 3.48Å; F196-C199 PolarHBondContact O-N 2.8Å; F196-L200 WeakPolarHBondContact O-CG 3.3Å; F196-L200 PolarHBondContact O-N 3.32Å |
| 197 | L | 98.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 173.9 | -70.6 | 175.6 | 0 | 0 | 0 | 111.1 | I193 I194 F195 L200 I201 | I193-L197 HydrophobicContact CG2-CD1 3.73Å; I193-L197 HydrophobicContact CG2-CG 4.13Å; I193-L197 WeakPolarHBondContact O-CB 3.44Å; I193-L197 VanDerWaalsContact O-CG 3.3Å; I193-L197 WeakPolarHBondContact O-CG 3.23Å; I193-L197 PolarHBondContact O-N 3.39Å; I194-L197 PolarHBondContact O-N 3.05Å; F195-L197 PolarHBondContact O-N 2.94Å; L197-L200 HydrophobicContact CD2-CD1 4.42Å; L197-L200 PolarHBondContact O-N 2.92Å; L197-I201 WeakPolarHBondContact O-CB 3.5Å; L197-I201 WeakPolarHBondContact O-CD1 3.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.3Å; L197-I201 PolarHBondContact O-N 2.97Å |
| 198 | A | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V152 I155 S156 I194 F195 F196 I201 V202 | V152-A198 HydrophobicContact CG1-CB 4Å; I155-A198 HydrophobicContact CB-CB 3.93Å; I155-A198 HydrophobicContact CG2-CB 3.71Å; S156-A198 VanDerWaalsContact OG-CB 3.29Å; S156-A198 WeakPolarHBondContact OG-CB 3.47Å; I194-A198 WeakPolarHBondContact O-CB 3.43Å; I194-A198 PolarHBondContact O-N 2.87Å; F195-A198 WeakPolarHBondContact O-CB 3.33Å; F195-A198 PolarHBondContact O-N 2.89Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 2.8Å; A198-I201 PolarHBondContact O-N 3.31Å; A198-V202 VanDerWaalsContact O-CG2 3.3Å; A198-V202 WeakPolarHBondContact O-CG2 3.44Å; A198-V202 PolarHBondContact O-N 2.86Å; A198-V202 VanDerWaalsContact O-N 3.08Å |
| 199 | C | 98 | Very high | 96.7 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -52.4 | 172.8 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | V152 F195 F196 I201 V202 I203 | V152-C199 VanDerWaalsContact CG1-SG 3.6Å; F195-C199 VanDerWaalsContact CE1-SG 3.6Å; F195-C199 PolarHBondContact O-N 3.35Å; F195-C199 PolarHBondContact O-SG 3.16Å; F195-C199 VanDerWaalsContact O-SG 3.37Å; F196-C199 WeakPolarHBondContact O-CB 3.48Å; F196-C199 PolarHBondContact O-N 2.8Å; C199-I201 VanDerWaalsContact C-N 3.29Å; C199-I201 PolarHBondContact O-N 2.81Å; C199-V202 PolarHBondContact O-N 3.15Å; C199-I203 WeakPolarHBondContact O-CG1 3.39Å; C199-I203 PolarHBondContact O-N 3.35Å |
| 200 | L | 98 | Very high | 96.5 | Very high | 110 Ų | 110 | 49.5 Ų | 49.5 | 58% | 0.576 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57.8 | -42.8 | -179.4 | -71.4 | 174.2 | 0 | 0 | 0 | 112 | F196 L197 V202 I203 | F196-L200 WeakPolarHBondContact O-CG 3.3Å; F196-L200 PolarHBondContact O-N 3.32Å; L197-L200 HydrophobicContact CD2-CD1 4.42Å; L197-L200 PolarHBondContact O-N 2.92Å; L200-V202 VanDerWaalsContact C-N 3.27Å; L200-V202 PolarHBondContact O-N 3.26Å; L200-I203 HydrophobicContact CD2-CD1 4Å; L200-I203 PolarHBondContact O-N 3.1Å |
| 201 | I | 97.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 179.1 | -69.5 | 166.1 | 0 | 0 | 0 | 110.9 | I155 L197 A198 C199 P204 Y237 M242 V245 | I155-I201 HydrophobicContact CD1-CG2 4.41Å; L197-I201 WeakPolarHBondContact O-CB 3.5Å; L197-I201 WeakPolarHBondContact O-CD1 3.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.3Å; L197-I201 PolarHBondContact O-N 2.97Å; A198-I201 PolarHBondContact O-N 3.31Å; C199-I201 VanDerWaalsContact C-N 3.29Å; C199-I201 PolarHBondContact O-N 2.81Å; I201-P204 WeakPolarHBondContact O-CD 3.4Å; I201-Y237 PolarHBondContact O-OH 2.74Å; I201-M242 HydrophobicContact CG2-SD 3.91Å; I201-V245 HydrophobicContact CD1-CB 4.39Å; I201-V245 HydrophobicContact CD1-CG1 3.6Å; I201-V245 HydrophobicContact CD1-CG2 4Å; I201-V245 HydrophobicContact CG2-CG1 4.21Å |
| 202 | V | 97.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.6 | -17.5 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 113.5 | R148 V151 V152 I155 A198 C199 L200 P204 R205 | R148-V202 HydrophobicContact CB-CG1 3.82Å; R148-V202 HydrophobicContact CG-CG1 4.34Å; V151-V202 HydrophobicContact CB-CG2 4.28Å; V151-V202 HydrophobicContact CG1-CG2 3.77Å; V152-V202 HydrophobicContact CG2-CB 3.66Å; V152-V202 HydrophobicContact CG2-CG1 3.92Å; V152-V202 HydrophobicContact CG2-CG2 3.72Å; I155-V202 HydrophobicContact CD1-CG2 3.75Å; A198-V202 VanDerWaalsContact O-CG2 3.3Å; A198-V202 WeakPolarHBondContact O-CG2 3.44Å; A198-V202 PolarHBondContact O-N 2.86Å; A198-V202 VanDerWaalsContact O-N 3.08Å; C199-V202 PolarHBondContact O-N 3.15Å; L200-V202 VanDerWaalsContact C-N 3.27Å; L200-V202 PolarHBondContact O-N 3.26Å; V202-P204 VanDerWaalsContact C-CD 3.49Å; V202-R205 HydrophobicContact CG1-CB 4.2Å; V202-R205 HydrophobicContact CG1-CG 4.28Å; V202-R205 WeakPolarHBondContact O-CA 3.29Å; V202-R205 WeakPolarHBondContact O-CB 3.41Å; V202-R205 PolarHBondContact O-N 3.3Å |
| 203 | I | 95.7 | Very high | 95.5 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -48.3 | -47.4 | -179.2 | -74.7 | 168.5 | 0 | 0 | 0 | 113.4 | C199 L200 R205 I206 F207 | C199-I203 WeakPolarHBondContact O-CG1 3.39Å; C199-I203 PolarHBondContact O-N 3.35Å; L200-I203 HydrophobicContact CD2-CD1 4Å; L200-I203 PolarHBondContact O-N 3.1Å; I203-R205 PolarHBondContact O-N 2.91Å; I203-R205 VanDerWaalsContact O-N 3.12Å; I203-I206 WeakPolarHBondContact O-CB 3.47Å; I203-I206 WeakPolarHBondContact O-CG1 3.34Å; I203-I206 PolarHBondContact O-N 3.26Å; I203-F207 HydrophobicContact CG2-CE2 4.23Å |
| 204 | P | 95.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.1 | 178.6 | -25.2 | 35.2 | 0 | 0 | 0 | 113.9 | I201 V202 I206 F207 L227 Y233 Y237 | I201-P204 WeakPolarHBondContact O-CD 3.4Å; V202-P204 VanDerWaalsContact C-CD 3.49Å; P204-I206 PolarHBondContact O-N 3.43Å; P204-F207 PolarHBondContact O-N 2.89Å; P204-L227 HydrophobicContact CB-CD2 4.18Å; P204-Y233 HydrophobicContact CB-CE2 4.04Å; P204-Y233 PolarHBondContact O-OH 3.43Å; P204-Y237 HydrophobicContact CB-CE1 4.25Å; P204-Y237 HydrophobicContact CB-CE2 4.12Å; P204-Y237 HydrophobicContact CG-CE2 3.93Å |
| 205 | R | 94.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -64.4 | -21.9 | 177.1 | -59.7 | -83.7 | -65.5 | 168.7 | -3.4 | 112.7 | R148 V202 I203 F207 E208 Y237 | R148-R205 VanDerWaalsContact CZ-O 3.25Å; R148-R205 PolarHBondContact NE-O 3.41Å; R148-R205 PolarHBondContact NH2-O 3.46Å; V202-R205 HydrophobicContact CG1-CB 4.2Å; V202-R205 HydrophobicContact CG1-CG 4.28Å; V202-R205 WeakPolarHBondContact O-CA 3.29Å; V202-R205 WeakPolarHBondContact O-CB 3.41Å; V202-R205 PolarHBondContact O-N 3.3Å; I203-R205 PolarHBondContact O-N 2.91Å; I203-R205 VanDerWaalsContact O-N 3.12Å; R205-F207 PolarHBondContact O-N 3.21Å; R205-E208 WeakPolarHBondContact CD-OE1 3.46Å; R205-E208 IonicContact CZ-OE1 3.78Å; R205-E208 VanDerWaalsContact CZ-OE1 3.3Å; R205-E208 IonicContact CZ-OE2 3.99Å; R205-E208 IonicContact NE-OE1 3.85Å; R205-E208 PolarHBondContact NE-OE1 2.85Å; R205-E208 IonicContact NE-OE2 3.73Å; R205-E208 PolarHBondContact NE-OE2 2.74Å; R205-E208 VanDerWaalsContact NH1-CD 3.29Å; R205-E208 IonicContact NH1-OE1 2.64Å; R205-E208 PolarHBondContact NH1-OE1 3.2Å; R205-E208 IonicContact NH1-OE2 3.17Å; R205-E208 PolarHBondContact NH1-OE2 3.26Å; R205-E208 IonicContact NH2-OE2 3.78Å; R205-Y237 HydrophobicContact CG-CE1 4.09Å; R205-Y237 WeakPolarHBondContact CG-OH 3.5Å |
| 206 | I | 92.9 | Very high | 94 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -66.4 | -30.9 | 177.9 | -62 | 172.3 | 0 | 0 | 0 | 110.3 | L19 R148 I203 P204 | L19-I206 HydrophobicContact CD1-CG2 4.18Å; L19-I206 VanDerWaalsContact CD2-O 3.25Å; L19-I206 WeakPolarHBondContact CD2-O 3.32Å; R148-I206 HydrophobicContact CG-CG1 3.94Å; I203-I206 WeakPolarHBondContact O-CB 3.47Å; I203-I206 WeakPolarHBondContact O-CG1 3.34Å; I203-I206 PolarHBondContact O-N 3.26Å; P204-I206 PolarHBondContact O-N 3.43Å |
| 207 | F | 94 | Very high | 93.3 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -102 | 22.7 | -174.5 | -52.5 | -80.3 | 0 | 0 | 0 | 112.9 | I16 L17 L19 I203 P204 R205 L226 L227 | I16-F207 HydrophobicContact CG2-CB 4.44Å; L17-F207 HydrophobicContact CD2-CE1 4.22Å; L17-F207 HydrophobicContact CG-CE1 4.48Å; L19-F207 HydrophobicContact CD2-CD1 4.12Å; I203-F207 HydrophobicContact CG2-CE2 4.23Å; P204-F207 PolarHBondContact O-N 2.89Å; R205-F207 PolarHBondContact O-N 3.21Å; F207-L226 WeakPolarHBondContact O-CB 3.35Å; F207-L227 HydrophobicContact CB-CD1 3.84Å; F207-L227 HydrophobicContact CB-CD2 4.35Å; F207-L227 WeakPolarHBondContact O-CB 3.43Å; F207-L227 WeakPolarHBondContact O-CD1 3.46Å; F207-L227 PolarHBondContact O-N 3.49Å |
| 208 | E | 93.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -72.4 | -42.3 | -178.7 | -77.7 | -179.3 | 141.8 | 0 | 0 | 113.3 | R148 R205 L226 L227 I228 Y233 L238 | R148-E208 IonicContact CZ-OE2 3.52Å; R148-E208 IonicContact NH1-OE2 3.95Å; R148-E208 IonicContact NH2-OE2 2.73Å; R148-E208 PolarHBondContact NH2-OE2 3.49Å; R205-E208 WeakPolarHBondContact CD-OE1 3.46Å; R205-E208 IonicContact CZ-OE1 3.78Å; R205-E208 VanDerWaalsContact CZ-OE1 3.3Å; R205-E208 IonicContact CZ-OE2 3.99Å; R205-E208 IonicContact NE-OE1 3.85Å; R205-E208 PolarHBondContact NE-OE1 2.85Å; R205-E208 IonicContact NE-OE2 3.73Å; R205-E208 PolarHBondContact NE-OE2 2.74Å; R205-E208 VanDerWaalsContact NH1-CD 3.29Å; R205-E208 IonicContact NH1-OE1 2.64Å; R205-E208 PolarHBondContact NH1-OE1 3.2Å; R205-E208 IonicContact NH1-OE2 3.17Å; R205-E208 PolarHBondContact NH1-OE2 3.26Å; R205-E208 IonicContact NH2-OE2 3.78Å; E208-L226 WeakPolarHBondContact O-CA 3.47Å; E208-L226 PolarHBondContact O-N 2.96Å; E208-L227 PolarHBondContact O-N 3.5Å; E208-I228 HydrophobicContact CB-CB 4.42Å; E208-I228 WeakPolarHBondContact O-CB 3.34Å; E208-I228 WeakPolarHBondContact O-CG2 3.22Å; E208-I228 PolarHBondContact O-N 3.44Å; E208-Y233 HydrophobicContact CG-CE1 3.9Å; E208-Y233 VanDerWaalsContact CG-OH 3.25Å; E208-Y233 WeakPolarHBondContact CG-OH 3.3Å; E208-Y233 PolarHBondContact OE1-OH 3.13Å; E208-Y233 VanDerWaalsContact OE1-OH 3.08Å; E208-L238 WeakPolarHBondContact OE1-CD2 3.41Å |
| 209 | S | 92.1 | Very high | 92.2 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153 | -177.3 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | Y224 | S209-Y224 WeakPolarHBondContact CA-O 3.47Å |
| 210 | G | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 169.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | L19 D223 Y224 | L19-G210 CarbonylContact O-C 2.95Å; L19-G210 WeakPolarHBondContact O-CA 3.33Å; G210-D223 WeakPolarHBondContact O-CA 3.49Å; G210-Y224 PolarHBondContact N-O 3Å; G210-Y224 WeakPolarHBondContact O-CD1 3.11Å; G210-Y224 PolarHBondContact O-N 3.22Å |
| 211 | I | 92.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.4 | 179.4 | 58.7 | 164.3 | 0 | 0 | 0 | 112.2 | L19 F20 I21 F140 V213 V220 D223 | L19-I211 PolarHBondContact O-N 3.27Å; F20-I211 CarbonylContact C-O 3.58Å; F20-I211 WeakPolarHBondContact CA-O 3.33Å; F20-I211 HydrophobicContact CB-CG1 4.1Å; I21-I211 PolarHBondContact N-O 3.01Å; F140-I211 HydrophobicContact CB-CD1 3.43Å; F140-I211 VanDerWaalsContact CB-CD1 3.43Å; F140-I211 HydrophobicContact CB-CG1 4.45Å; F140-I211 HydrophobicContact CD1-CD1 3.7Å; F140-I211 HydrophobicContact CD1-CG1 3.81Å; F140-I211 HydrophobicContact CD2-CB 4.45Å; F140-I211 HydrophobicContact CD2-CD1 3.74Å; F140-I211 HydrophobicContact CD2-CG1 4.06Å; F140-I211 HydrophobicContact CD2-CG2 3.56Å; F140-I211 HydrophobicContact CE1-CD1 4.38Å; F140-I211 HydrophobicContact CE1-CG1 4Å; F140-I211 HydrophobicContact CE1-CG2 4.5Å; F140-I211 HydrophobicContact CE2-CB 4.4Å; F140-I211 HydrophobicContact CE2-CD1 4.43Å; F140-I211 HydrophobicContact CE2-CG1 4.25Å; F140-I211 HydrophobicContact CE2-CG2 3.35Å; F140-I211 HydrophobicContact CG-CD1 3.32Å; F140-I211 HydrophobicContact CG-CG1 3.84Å; F140-I211 HydrophobicContact CG-CG2 4.24Å; F140-I211 HydrophobicContact CZ-CG1 4.21Å; F140-I211 HydrophobicContact CZ-CG2 3.87Å; I211-V213 HydrophobicContact CD1-CG2 3.57Å; I211-V213 HydrophobicContact CG1-CG2 4.06Å; I211-V220 HydrophobicContact CB-CG1 4.23Å; I211-V220 HydrophobicContact CD1-CG2 4.31Å; I211-V220 HydrophobicContact CG2-CG1 4.33Å; I211-D223 WeakPolarHBondContact CG2-OD1 3.5Å |
| 212 | V | 91.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.9 | 166.5 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | I21 N23 S221 K222 Y224 | I21-V212 HydrophobicContact CB-CG2 4.33Å; I21-V212 CarbonylContact O-C 3.6Å; I21-V212 WeakPolarHBondContact O-CA 3.17Å; N23-V212 HydrophobicContact CB-CG1 3.7Å; V212-S221 PolarHBondContact O-N 3Å; V212-K222 HydrophobicContact CB-CG 3.9Å; V212-K222 HydrophobicContact CG2-CD 4.39Å; V212-K222 HydrophobicContact CG2-CG 3.66Å; V212-K222 PolarHBondContact N-O 3.22Å; V212-Y224 HydrophobicContact CG2-CD1 3.7Å; V212-Y224 HydrophobicContact CG2-CE1 3.99Å |
| 213 | V | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.7 | 179.2 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | I21 I22 N23 T136 I137 I211 Y215 N219 | I21-V213 PolarHBondContact O-N 3.29Å; I22-V213 CarbonylContact C-O 3.55Å; I22-V213 WeakPolarHBondContact CA-O 3.13Å; N23-V213 PolarHBondContact N-O 3.22Å; T136-V213 HydrophobicContact CG2-CG1 4.16Å; T136-V213 HydrophobicContact CG2-CG2 4.17Å; I137-V213 HydrophobicContact CG1-CB 4.5Å; I137-V213 HydrophobicContact CG1-CG2 3.96Å; I211-V213 HydrophobicContact CD1-CG2 3.57Å; I211-V213 HydrophobicContact CG1-CG2 4.06Å; V213-Y215 PolarHBondContact O-N 3.17Å; V213-N219 WeakPolarHBondContact CA-O 3.41Å |
| 214 | C | 89.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.3 | 172.9 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | C28 I216 S217 G218 N219 | C28-C214 HydrophobicContact CB-CB 3.76Å; C28-C214 WeakPolarHBondContact CB-SG 3.5Å; C28-C214 PolarHBondContact O-SG 3.29Å; C28-C214 VanDerWaalsContact O-SG 3.33Å; C28-C214 WeakPolarHBondContact SG-CA 3.39Å; C28-C214 WeakPolarHBondContact SG-CB 3.27Å; C28-C214 CovalentContact SG-SG 2.03Å; C28-C214 PolarHBondContact SG-SG 3.29Å; C214-I216 PolarHBondContact O-N 3.42Å; C214-S217 WeakPolarHBondContact CB-OG 3.34Å; C214-G218 WeakPolarHBondContact O-CA 3.34Å; C214-G218 PolarHBondContact O-N 2.92Å; C214-N219 PolarHBondContact N-O 2.95Å |
| 215 | Y | 88 | Confident | 90.1 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 31% | 0.314 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -45.1 | -180 | 179 | -101.3 | 0 | 0 | 0 | 112.3 | I22 N23 K24 Y133 V213 | I22-Y215 HydrophobicContact CG2-CD2 3.97Å; I22-Y215 HydrophobicContact CG2-CG 4.37Å; N23-Y215 PolarHBondContact O-N 3.32Å; K24-Y215 HydrophobicContact CG-CG 4.17Å; Y133-Y215 AromaticContact CD1-CD2 3.97Å; Y133-Y215 HydrophobicContact CD1-CD2 3.97Å; Y133-Y215 HydrophobicContact CD1-CE2 4.12Å; Y133-Y215 AromaticContact CE1-CD2 3.88Å; Y133-Y215 HydrophobicContact CE1-CD2 3.88Å; Y133-Y215 AromaticContact CE1-CE2 3.6Å; Y133-Y215 HydrophobicContact CE1-CE2 3.6Å; V213-Y215 PolarHBondContact O-N 3.17Å |
| 216 | I | 85.6 | Confident | 90 | Very high | 77 Ų | 77 | 36.2 Ų | 36.2 | 40% | 0.395 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -50.2 | -172.5 | -58.8 | 170.9 | 0 | 0 | 0 | 111.3 | C214 | C214-I216 PolarHBondContact O-N 3.42Š|
| 217 | S | 85.1 | Confident | 90 | Very high | 45 Ų | 45 | 35 Ų | 35 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -19.4 | -177.1 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | C214 N219 | C214-S217 WeakPolarHBondContact CB-OG 3.34Å; S217-N219 PolarHBondContact O-N 3.26Å; S217-N219 PolarHBondContact OG-N 3.43Å |
| 218 | G | 85.7 | Confident | 89.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | 68.5 | 4.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T136 C214 | T136-G218 WeakPolarHBondContact CB-O 3.47Å; T136-G218 WeakPolarHBondContact CG2-O 3.31Å; T136-G218 PolarHBondContact OG1-O 2.99Å; C214-G218 WeakPolarHBondContact O-CA 3.34Å; C214-G218 PolarHBondContact O-N 2.92Å | ||
| 219 | N | 87.4 | Confident | 89.9 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | trans | -82.1 | 154.2 | -177.1 | -67.9 | -21.7 | 0 | 0 | 0 | 111.9 | Q30 V213 C214 S217 S221 | Q30-N219 HydrophobicContact CB-CB 4.06Å; Q30-N219 HydrophobicContact CG-CB 4.1Å; Q30-N219 PolarHBondContact OE1-ND2 2.95Å; Q30-N219 VanDerWaalsContact OE1-ND2 3.07Å; V213-N219 WeakPolarHBondContact CA-O 3.41Å; C214-N219 PolarHBondContact N-O 2.95Å; S217-N219 PolarHBondContact O-N 3.26Å; S217-N219 PolarHBondContact OG-N 3.43Å; N219-S221 PolarHBondContact O-N 3.2Å | ||
| 220 | V | 88.5 | Confident | 89.9 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.6 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | M31 T136 I211 | M31-V220 PolarHBondContact N-O 3.18Å; T136-V220 HydrophobicContact CG2-CG2 3.58Å; I211-V220 HydrophobicContact CB-CG1 4.23Å; I211-V220 HydrophobicContact CD1-CG2 4.31Å; I211-V220 HydrophobicContact CG2-CG1 4.33Å |
| 221 | S | 88.6 | Confident | 90 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -46.2 | -179.2 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | T29 M31 V212 N219 | T29-S221 VanDerWaalsContact O-CA 3.29Å; T29-S221 WeakPolarHBondContact O-CA 3.02Å; T29-S221 VanDerWaalsContact O-CB 3.31Å; T29-S221 WeakPolarHBondContact O-CB 3.48Å; T29-S221 PolarHBondContact O-OG 2.89Å; M31-S221 WeakPolarHBondContact CA-O 3.36Å; M31-S221 VanDerWaalsContact CB-O 3.27Å; M31-S221 WeakPolarHBondContact CB-O 3.4Å; M31-S221 PolarHBondContact N-O 3.09Å; V212-S221 PolarHBondContact O-N 3Å; N219-S221 PolarHBondContact O-N 3.2Å |
| 222 | K | 89.3 | Confident | 90 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 150.5 | 177.4 | 60.6 | -175.9 | 178 | -172.8 | 0 | 110.8 | Y7 V212 | Y7-K222 PolarHBondContact OH-NZ 2.93Å; V212-K222 HydrophobicContact CB-CG 3.9Å; V212-K222 HydrophobicContact CG2-CD 4.39Å; V212-K222 HydrophobicContact CG2-CG 3.66Å; V212-K222 PolarHBondContact N-O 3.22Å |
| 223 | D | 89.5 | Confident | 90.2 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 142.5 | 163 | -63.6 | -10.2 | 0 | 0 | 0 | 108.4 | G210 I211 | G210-D223 WeakPolarHBondContact O-CA 3.49Å; I211-D223 WeakPolarHBondContact CG2-OD1 3.5Å |
| 224 | Y | 90.5 | Very high | 90.2 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139 | 172.5 | 62 | -86.3 | 0 | 0 | 0 | 111.4 | P14 N18 I21 S209 G210 V212 L226 | P14-Y224 HydrophobicContact CB-CE2 4.01Å; P14-Y224 HydrophobicContact CG-CD2 3.98Å; P14-Y224 HydrophobicContact CG-CE2 3.81Å; N18-Y224 PolarHBondContact O-OH 3.13Å; I21-Y224 HydrophobicContact CD1-CD1 4.38Å; I21-Y224 HydrophobicContact CD1-CE1 3.73Å; I21-Y224 HydrophobicContact CD1-CE2 4.29Å; I21-Y224 HydrophobicContact CG1-CE1 4Å; S209-Y224 WeakPolarHBondContact CA-O 3.47Å; G210-Y224 PolarHBondContact N-O 3Å; G210-Y224 WeakPolarHBondContact O-CD1 3.11Å; G210-Y224 PolarHBondContact O-N 3.22Å; V212-Y224 HydrophobicContact CG2-CD1 3.7Å; V212-Y224 HydrophobicContact CG2-CE1 3.99Å; Y224-L226 HydrophobicContact CD2-CD2 4.19Å; Y224-L226 HydrophobicContact CD2-CG 4.22Å; Y224-L226 HydrophobicContact CE2-CD1 4.35Å; Y224-L226 HydrophobicContact CE2-CD2 3.74Å; Y224-L226 HydrophobicContact CE2-CG 3.93Å |
| 225 | P | 91.6 | Very high | 90.4 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.2 | -177.3 | 33.2 | -36.3 | 0 | 0 | 0 | 110.7 | I228 N229 | P225-I228 HydrophobicContact CB-CG2 3.32Å; P225-N229 HydrophobicContact CB-CB 3.98Å; P225-N229 HydrophobicContact CG-CB 4.23Å |
| 226 | L | 92.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -106.8 | -102.9 | 173.7 | -72.2 | 169.9 | 0 | 0 | 0 | 108.8 | P14 L19 F207 E208 Y224 I228 N229 Y230 | P14-L226 HydrophobicContact CG-CD2 4.31Å; L19-L226 HydrophobicContact CD2-CD1 4.14Å; F207-L226 WeakPolarHBondContact O-CB 3.35Å; E208-L226 WeakPolarHBondContact O-CA 3.47Å; E208-L226 PolarHBondContact O-N 2.96Å; Y224-L226 HydrophobicContact CD2-CD2 4.19Å; Y224-L226 HydrophobicContact CD2-CG 4.22Å; Y224-L226 HydrophobicContact CE2-CD1 4.35Å; Y224-L226 HydrophobicContact CE2-CD2 3.74Å; Y224-L226 HydrophobicContact CE2-CG 3.93Å; L226-I228 PolarHBondContact O-N 3.39Å; L226-N229 WeakPolarHBondContact O-CB 3.45Å; L226-N229 PolarHBondContact O-N 3.04Å; L226-Y230 WeakPolarHBondContact O-CD2 3.31Å; L226-Y230 WeakPolarHBondContact O-CE2 3.44Å |
| 227 | L | 93.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 66.1 Ų | 66.1 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -61.5 | -31.3 | 175.9 | -93.6 | 63.2 | 0 | 0 | 0 | 112.2 | I16 P204 F207 E208 N229 Y230 Y233 | I16-L227 HydrophobicContact CG2-CD1 3.4Å; I16-L227 VanDerWaalsContact CG2-CD1 3.4Å; P204-L227 HydrophobicContact CB-CD2 4.18Å; F207-L227 HydrophobicContact CB-CD1 3.84Å; F207-L227 HydrophobicContact CB-CD2 4.35Å; F207-L227 WeakPolarHBondContact O-CB 3.43Å; F207-L227 WeakPolarHBondContact O-CD1 3.46Å; F207-L227 PolarHBondContact O-N 3.49Å; E208-L227 PolarHBondContact O-N 3.5Å; L227-N229 PolarHBondContact O-N 3.31Å; L227-N229 VanDerWaalsContact O-N 3.16Å; L227-Y230 WeakPolarHBondContact O-CD2 3.05Å; L227-Y230 PolarHBondContact O-N 2.9Å; L227-Y230 VanDerWaalsContact O-N 3.12Å; L227-Y233 HydrophobicContact CB-CD1 4.16Å; L227-Y233 HydrophobicContact CB-CD2 4.21Å; L227-Y233 HydrophobicContact CB-CE1 4.08Å; L227-Y233 HydrophobicContact CB-CE2 4.13Å; L227-Y233 HydrophobicContact CB-CG 4.21Å; L227-Y233 HydrophobicContact CD2-CD2 4.03Å; L227-Y233 HydrophobicContact CD2-CE2 3.67Å; L227-Y233 HydrophobicContact CG-CD2 4.37Å; L227-Y233 HydrophobicContact CG-CE2 4.36Å; L227-Y233 VanDerWaalsContact O-CD1 3.3Å; L227-Y233 WeakPolarHBondContact O-CD1 3.47Å |
| 228 | I | 92.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -64 | -21.5 | -179.1 | -161.2 | 66.1 | 0 | 0 | 0 | 112.3 | E208 P225 L226 Y230 Y233 Q234 L238 | E208-I228 HydrophobicContact CB-CB 4.42Å; E208-I228 WeakPolarHBondContact O-CB 3.34Å; E208-I228 WeakPolarHBondContact O-CG2 3.22Å; E208-I228 PolarHBondContact O-N 3.44Å; P225-I228 HydrophobicContact CB-CG2 3.32Å; L226-I228 PolarHBondContact O-N 3.39Å; I228-Y230 PolarHBondContact O-N 3.07Å; I228-Y233 HydrophobicContact CD1-CE1 4.44Å; I228-Q234 HydrophobicContact CD1-CG 4.28Å; I228-Q234 PolarHBondContact O-NE2 3.2Å; I228-L238 HydrophobicContact CD1-CD1 3.36Å |
| 229 | N | 92.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 68 Ų | 68 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69.2 | -22.4 | 178.1 | -162 | 29.8 | 0 | 0 | 0 | 112.9 | P225 L226 L227 K231 | P225-N229 HydrophobicContact CB-CB 3.98Å; P225-N229 HydrophobicContact CG-CB 4.23Å; L226-N229 WeakPolarHBondContact O-CB 3.45Å; L226-N229 PolarHBondContact O-N 3.04Å; L227-N229 PolarHBondContact O-N 3.31Å; L227-N229 VanDerWaalsContact O-N 3.16Å; N229-K231 PolarHBondContact O-N 3.37Å |
| 230 | Y | 93.5 | Very high | 92 | Very high | 128 Ų | 128 | 70.1 Ų | 70.1 | 50% | 0.502 | 36% | 0.36 | S | S | . | . | trans | -85.2 | 112.6 | -175.5 | -61.7 | -87.3 | 0 | 0 | 0 | 110.4 | L226 L227 I228 L232 Y233 Q234 | L226-Y230 WeakPolarHBondContact O-CD2 3.31Å; L226-Y230 WeakPolarHBondContact O-CE2 3.44Å; L227-Y230 WeakPolarHBondContact O-CD2 3.05Å; L227-Y230 PolarHBondContact O-N 2.9Å; L227-Y230 VanDerWaalsContact O-N 3.12Å; I228-Y230 PolarHBondContact O-N 3.07Å; Y230-L232 PolarHBondContact O-N 3.45Å; Y230-L232 VanDerWaalsContact O-N 3.12Å; Y230-Y233 WeakPolarHBondContact O-CA 3.38Å; Y230-Y233 VanDerWaalsContact O-CB 3.29Å; Y230-Y233 WeakPolarHBondContact O-CB 3.36Å; Y230-Y233 PolarHBondContact O-N 3.48Å; Y230-Q234 PolarHBondContact O-N 3.22Å; Y230-Q234 VanDerWaalsContact O-N 3.12Å | ||
| 231 | K | 92.7 | Very high | 92.4 | Very high | 165 Ų | 165 | 70.8 Ų | 70.8 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -51.8 | -37.8 | 177.6 | -68.8 | -172.7 | 177 | -175.3 | 0 | 113.3 | N229 Y233 Q234 I235 | N229-K231 PolarHBondContact O-N 3.37Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 3.35Å; K231-Q234 PolarHBondContact O-N 3.31Å; K231-I235 WeakPolarHBondContact O-CG1 3.35Å; K231-I235 PolarHBondContact O-N 3.05Å |
| 232 | L | 93.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.9 | -36.3 | 177.8 | -173.1 | 144.4 | 0 | 0 | 0 | 112.2 | Y230 L236 | Y230-L232 PolarHBondContact O-N 3.45Å; Y230-L232 VanDerWaalsContact O-N 3.12Å; L232-L236 HydrophobicContact CD1-CD1 4.21Å; L232-L236 HydrophobicContact CD2-CD1 3.74Å; L232-L236 HydrophobicContact CD2-CG 4.47Å; L232-L236 HydrophobicContact CG-CD1 3.7Å; L232-L236 HydrophobicContact CG-CG 4.23Å; L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.39Å; L232-L236 PolarHBondContact O-N 2.84Å |
| 233 | Y | 93.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 9% | 0.09 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -66.1 | -44.9 | 173 | 176 | -96.8 | 0 | 0 | 0 | 111.2 | P204 E208 L227 I228 Y230 K231 Y237 L238 | P204-Y233 HydrophobicContact CB-CE2 4.04Å; P204-Y233 PolarHBondContact O-OH 3.43Å; E208-Y233 HydrophobicContact CG-CE1 3.9Å; E208-Y233 VanDerWaalsContact CG-OH 3.25Å; E208-Y233 WeakPolarHBondContact CG-OH 3.3Å; E208-Y233 PolarHBondContact OE1-OH 3.13Å; E208-Y233 VanDerWaalsContact OE1-OH 3.08Å; L227-Y233 HydrophobicContact CB-CD1 4.16Å; L227-Y233 HydrophobicContact CB-CD2 4.21Å; L227-Y233 HydrophobicContact CB-CE1 4.08Å; L227-Y233 HydrophobicContact CB-CE2 4.13Å; L227-Y233 HydrophobicContact CB-CG 4.21Å; L227-Y233 HydrophobicContact CD2-CD2 4.03Å; L227-Y233 HydrophobicContact CD2-CE2 3.67Å; L227-Y233 HydrophobicContact CG-CD2 4.37Å; L227-Y233 HydrophobicContact CG-CE2 4.36Å; L227-Y233 VanDerWaalsContact O-CD1 3.3Å; L227-Y233 WeakPolarHBondContact O-CD1 3.47Å; I228-Y233 HydrophobicContact CD1-CE1 4.44Å; Y230-Y233 WeakPolarHBondContact O-CA 3.38Å; Y230-Y233 VanDerWaalsContact O-CB 3.29Å; Y230-Y233 WeakPolarHBondContact O-CB 3.36Å; Y230-Y233 PolarHBondContact O-N 3.48Å; K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 3.35Å; Y233-Y237 AromaticContact CD2-CD1 3.88Å; Y233-Y237 HydrophobicContact CD2-CD1 3.88Å; Y233-Y237 HydrophobicContact CD2-CG 4.03Å; Y233-Y237 HydrophobicContact CE1-CD1 4.08Å; Y233-Y237 AromaticContact CE2-CD1 3.17Å; Y233-Y237 HydrophobicContact CE2-CD1 3.17Å; Y233-Y237 AromaticContact CE2-CE1 3.66Å; Y233-Y237 HydrophobicContact CE2-CE1 3.66Å; Y233-Y237 AromaticContact CE2-CG 3.66Å; Y233-Y237 HydrophobicContact CE2-CG 3.66Å; Y233-Y237 AromaticContact CZ-CD1 3.3Å; Y233-Y237 AromaticContact CZ-CE1 3.56Å; Y233-Y237 WeakPolarHBondContact O-CA 3.39Å; Y233-Y237 VanDerWaalsContact O-CB 3.28Å; Y233-Y237 WeakPolarHBondContact O-CB 3.44Å; Y233-Y237 PolarHBondContact O-N 2.77Å; Y233-Y237 WeakPolarHBondContact OH-CD1 3.31Å; Y233-Y237 WeakPolarHBondContact OH-CE1 3.2Å; Y233-L238 HydrophobicContact CD1-CD1 4.21Å; Y233-L238 HydrophobicContact CD1-CG 4.21Å; Y233-L238 HydrophobicContact CE1-CD1 3.82Å; Y233-L238 HydrophobicContact CE1-CD2 4.08Å; Y233-L238 HydrophobicContact CE1-CG 3.79Å; Y233-L238 PolarHBondContact O-N 3.43Å |
| 234 | Q | 92 | Very high | 93.3 | Very high | 85 Ų | 85 | 67.7 Ų | 67.7 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -59.1 | -50.4 | 176.7 | -63 | 179.4 | 1.3 | 0 | 0 | 111.6 | I228 Y230 K231 L238 G239 | I228-Q234 HydrophobicContact CD1-CG 4.28Å; I228-Q234 PolarHBondContact O-NE2 3.2Å; Y230-Q234 PolarHBondContact O-N 3.22Å; Y230-Q234 VanDerWaalsContact O-N 3.12Å; K231-Q234 PolarHBondContact O-N 3.31Å; Q234-L238 CarbonylContact O-C 3.57Å; Q234-L238 WeakPolarHBondContact O-CB 3.38Å; Q234-L238 PolarHBondContact O-N 2.93Å; Q234-G239 PolarHBondContact O-N 3.34Å |
| 235 | I | 91.5 | Very high | 93.6 | Very high | 116 Ų | 116 | 67.7 Ų | 67.7 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -73.2 | -53.5 | -174.9 | -62.8 | 167.9 | 0 | 0 | 0 | 111.3 | K231 G239 L240 | K231-I235 WeakPolarHBondContact O-CG1 3.35Å; K231-I235 PolarHBondContact O-N 3.05Å; I235-G239 CarbonylContact O-C 3.58Å; I235-G239 VanDerWaalsContact O-CA 3.27Å; I235-G239 WeakPolarHBondContact O-CA 3.05Å; I235-G239 PolarHBondContact O-N 2.82Å; I235-L240 PolarHBondContact O-N 3.47Å |
| 236 | L | 94.2 | Very high | 93.8 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -78.2 | -47.7 | -172.8 | -62.2 | -176.2 | 0 | 0 | 0 | 112 | L232 L240 V241 | L232-L236 HydrophobicContact CD1-CD1 4.21Å; L232-L236 HydrophobicContact CD2-CD1 3.74Å; L232-L236 HydrophobicContact CD2-CG 4.47Å; L232-L236 HydrophobicContact CG-CD1 3.7Å; L232-L236 HydrophobicContact CG-CG 4.23Å; L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.39Å; L232-L236 PolarHBondContact O-N 2.84Å; L236-L240 WeakPolarHBondContact O-CB 3.45Å; L236-L240 PolarHBondContact O-N 3.34Å; L236-V241 WeakPolarHBondContact O-CG2 3.24Å; L236-V241 PolarHBondContact O-N 3.35Å |
| 237 | Y | 95.7 | Very high | 93.8 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -84 | -54.9 | -174.1 | 175.5 | -92.6 | 0 | 0 | 0 | 111.7 | I201 P204 R205 Y233 V241 M242 | I201-Y237 PolarHBondContact O-OH 2.74Å; P204-Y237 HydrophobicContact CB-CE1 4.25Å; P204-Y237 HydrophobicContact CB-CE2 4.12Å; P204-Y237 HydrophobicContact CG-CE2 3.93Å; R205-Y237 HydrophobicContact CG-CE1 4.09Å; R205-Y237 WeakPolarHBondContact CG-OH 3.5Å; Y233-Y237 AromaticContact CD2-CD1 3.88Å; Y233-Y237 HydrophobicContact CD2-CD1 3.88Å; Y233-Y237 HydrophobicContact CD2-CG 4.03Å; Y233-Y237 HydrophobicContact CE1-CD1 4.08Å; Y233-Y237 AromaticContact CE2-CD1 3.17Å; Y233-Y237 HydrophobicContact CE2-CD1 3.17Å; Y233-Y237 AromaticContact CE2-CE1 3.66Å; Y233-Y237 HydrophobicContact CE2-CE1 3.66Å; Y233-Y237 AromaticContact CE2-CG 3.66Å; Y233-Y237 HydrophobicContact CE2-CG 3.66Å; Y233-Y237 AromaticContact CZ-CD1 3.3Å; Y233-Y237 AromaticContact CZ-CE1 3.56Å; Y233-Y237 WeakPolarHBondContact O-CA 3.39Å; Y233-Y237 VanDerWaalsContact O-CB 3.28Å; Y233-Y237 WeakPolarHBondContact O-CB 3.44Å; Y233-Y237 PolarHBondContact O-N 2.77Å; Y233-Y237 WeakPolarHBondContact OH-CD1 3.31Å; Y233-Y237 WeakPolarHBondContact OH-CE1 3.2Å; Y237-V241 HydrophobicContact CD2-CB 4.4Å; Y237-V241 HydrophobicContact CD2-CG1 4.39Å; Y237-V241 WeakPolarHBondContact O-CB 3.4Å; Y237-V241 PolarHBondContact O-N 2.91Å; Y237-M242 HydrophobicContact CD1-CG 4.34Å; Y237-M242 HydrophobicContact CE1-CG 3.98Å; Y237-M242 HydrophobicContact CE1-SD 4.37Å; Y237-M242 WeakPolarHBondContact O-CG 3.35Å; Y237-M242 PolarHBondContact O-N 3.09Å |
| 238 | L | 92.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -73.6 | -42.6 | -179.8 | -59.5 | -178.7 | 0 | 0 | 0 | 112.8 | E208 I228 Y233 Q234 M242 | E208-L238 WeakPolarHBondContact OE1-CD2 3.41Å; I228-L238 HydrophobicContact CD1-CD1 3.36Å; Y233-L238 HydrophobicContact CD1-CD1 4.21Å; Y233-L238 HydrophobicContact CD1-CG 4.21Å; Y233-L238 HydrophobicContact CE1-CD1 3.82Å; Y233-L238 HydrophobicContact CE1-CD2 4.08Å; Y233-L238 HydrophobicContact CE1-CG 3.79Å; Y233-L238 PolarHBondContact O-N 3.43Å; Q234-L238 CarbonylContact O-C 3.57Å; Q234-L238 WeakPolarHBondContact O-CB 3.38Å; Q234-L238 PolarHBondContact O-N 2.93Å; L238-M242 HydrophobicContact CD2-CG 4.27Å; L238-M242 WeakPolarHBondContact O-CB 3.26Å |
| 239 | G | 90.1 | Very high | 94 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -72.2 | -55 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q234 I235 F243 | Q234-G239 PolarHBondContact O-N 3.34Å; I235-G239 CarbonylContact O-C 3.58Å; I235-G239 VanDerWaalsContact O-CA 3.27Å; I235-G239 WeakPolarHBondContact O-CA 3.05Å; I235-G239 PolarHBondContact O-N 2.82Å; G239-F243 WeakPolarHBondContact O-CB 3.38Å |
| 240 | L | 93.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -93.9 | -56.5 | -171.4 | -174.2 | 147.5 | 0 | 0 | 0 | 113.3 | I235 L236 F243 I244 | I235-L240 PolarHBondContact O-N 3.47Å; L236-L240 WeakPolarHBondContact O-CB 3.45Å; L236-L240 PolarHBondContact O-N 3.34Å; L240-F243 PolarHBondContact O-N 2.98Å; L240-I244 HydrophobicContact CD2-CD1 3.69Å; L240-I244 HydrophobicContact CG-CD1 3.95Å; L240-I244 WeakPolarHBondContact O-CB 3.16Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.12Å; L240-I244 PolarHBondContact O-N 3.44Å |
| 241 | V | 96.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 33% | 0.327 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -65.3 | -51.2 | -174.5 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L236 Y237 F243 I244 V245 | L236-V241 WeakPolarHBondContact O-CG2 3.24Å; L236-V241 PolarHBondContact O-N 3.35Å; Y237-V241 HydrophobicContact CD2-CB 4.4Å; Y237-V241 HydrophobicContact CD2-CG1 4.39Å; Y237-V241 WeakPolarHBondContact O-CB 3.4Å; Y237-V241 PolarHBondContact O-N 2.91Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 3.39Å; V241-I244 PolarHBondContact O-N 3.5Å; V241-V245 HydrophobicContact CG1-CG2 4.32Å; V241-V245 WeakPolarHBondContact O-CB 3.5Å; V241-V245 WeakPolarHBondContact O-CG2 3.43Å; V241-V245 PolarHBondContact O-N 2.86Å |
| 242 | M | 95.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | -179.7 | -70.3 | -63.2 | -67.7 | 0 | 0 | 111.9 | V151 I155 I201 Y237 L238 Q246 | V151-M242 HydrophobicContact CG1-CE 3.83Å; I155-M242 HydrophobicContact CD1-CE 4.25Å; I201-M242 HydrophobicContact CG2-SD 3.91Å; Y237-M242 HydrophobicContact CD1-CG 4.34Å; Y237-M242 HydrophobicContact CE1-CG 3.98Å; Y237-M242 HydrophobicContact CE1-SD 4.37Å; Y237-M242 WeakPolarHBondContact O-CG 3.35Å; Y237-M242 PolarHBondContact O-N 3.09Å; L238-M242 HydrophobicContact CD2-CG 4.27Å; L238-M242 WeakPolarHBondContact O-CB 3.26Å; M242-Q246 WeakPolarHBondContact O-CA 3.24Å; M242-Q246 WeakPolarHBondContact O-CB 3.34Å; M242-Q246 PolarHBondContact O-N 2.99Å |
| 243 | F | 94.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -53.9 | 171.9 | 170.9 | -106.7 | 0 | 0 | 0 | 111.5 | G239 L240 V241 V245 S247 G248 F349 K352 I353 | G239-F243 WeakPolarHBondContact O-CB 3.38Å; L240-F243 PolarHBondContact O-N 2.98Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 3.39Å; F243-V245 PolarHBondContact O-N 3.4Å; F243-S247 CarbonylContact O-C 3.51Å; F243-S247 PolarHBondContact O-N 2.82Å; F243-S247 VanDerWaalsContact O-N 3.07Å; F243-G248 PolarHBondContact O-N 3.36Å; F243-F349 HydrophobicContact CE1-CE2 4.49Å; F243-F349 AromaticContact CE2-CD2 3.71Å; F243-F349 HydrophobicContact CE2-CD2 3.71Å; F243-F349 AromaticContact CE2-CE2 3.75Å; F243-F349 HydrophobicContact CE2-CE2 3.75Å; F243-F349 AromaticContact CZ-CD2 3.89Å; F243-F349 HydrophobicContact CZ-CD2 3.89Å; F243-F349 AromaticContact CZ-CE2 3.4Å; F243-F349 HydrophobicContact CZ-CE2 3.4Å; F243-F349 VanDerWaalsContact CZ-CE2 3.4Å; F243-F349 HydrophobicContact CZ-CZ 4.08Å; F243-K352 HydrophobicContact CD2-CB 4Å; F243-K352 HydrophobicContact CD2-CD 4.48Å; F243-I353 HydrophobicContact CD2-CG1 4.43Å; F243-I353 HydrophobicContact CE2-CD1 3.94Å; F243-I353 HydrophobicContact CE2-CG1 3.51Å; F243-I353 HydrophobicContact CZ-CD1 3.81Å; F243-I353 HydrophobicContact CZ-CG1 3.69Å |
| 244 | I | 96.5 | Very high | 94.8 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -61.4 | -45.5 | -178.3 | -68 | 170.1 | 0 | 0 | 0 | 110.8 | L240 V241 G249 P250 | L240-I244 HydrophobicContact CD2-CD1 3.69Å; L240-I244 HydrophobicContact CG-CD1 3.95Å; L240-I244 WeakPolarHBondContact O-CB 3.16Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.12Å; L240-I244 PolarHBondContact O-N 3.44Å; V241-I244 PolarHBondContact O-N 3.5Å; I244-G249 WeakPolarHBondContact O-CA 3.22Å; I244-G249 PolarHBondContact O-N 3.24Å; I244-P250 WeakPolarHBondContact O-CD 3.28Å |
| 245 | V | 97 | Very high | 95 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -78.4 | -42.9 | -173.8 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | I155 W159 I201 V241 F243 P250 | I155-V245 HydrophobicContact CD1-CG1 4.3Å; I155-V245 HydrophobicContact CG1-CG1 4.48Å; I155-V245 HydrophobicContact CG2-CG1 3.61Å; W159-V245 PolarHBondContact NE1-O 3.31Å; I201-V245 HydrophobicContact CD1-CB 4.39Å; I201-V245 HydrophobicContact CD1-CG1 3.6Å; I201-V245 HydrophobicContact CD1-CG2 4Å; I201-V245 HydrophobicContact CG2-CG1 4.21Å; V241-V245 HydrophobicContact CG1-CG2 4.32Å; V241-V245 WeakPolarHBondContact O-CB 3.5Å; V241-V245 WeakPolarHBondContact O-CG2 3.43Å; V241-V245 PolarHBondContact O-N 2.86Å; F243-V245 PolarHBondContact O-N 3.4Å; V245-P250 WeakPolarHBondContact O-CG 3.42Å |
| 246 | Q | 95.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -85.3 | -33 | -171.2 | -168.3 | -177.6 | 1.7 | 0 | 0 | 112.5 | I155 N158 M242 | I155-Q246 HydrophobicContact CD1-CB 4.5Å; I155-Q246 HydrophobicContact CG1-CB 3.96Å; I155-Q246 HydrophobicContact CG1-CG 3.83Å; N158-Q246 PolarHBondContact ND2-O 3.35Å; M242-Q246 WeakPolarHBondContact O-CA 3.24Å; M242-Q246 WeakPolarHBondContact O-CB 3.34Å; M242-Q246 PolarHBondContact O-N 2.99Å |
| 247 | S | 92.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -134 | -62.3 | -171.8 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | F243 G249 P250 V251 F349 | F243-S247 CarbonylContact O-C 3.51Å; F243-S247 PolarHBondContact O-N 2.82Å; F243-S247 VanDerWaalsContact O-N 3.07Å; S247-G249 PolarHBondContact O-N 3.24Å; S247-P250 WeakPolarHBondContact O-CD 3.4Å; S247-V251 WeakPolarHBondContact O-CB 3.34Å; S247-V251 WeakPolarHBondContact O-CG2 3.21Å; S247-V251 PolarHBondContact O-N 3Å; S247-F349 WeakPolarHBondContact OG-CA 3.47Å; S247-F349 WeakPolarHBondContact OG-CB 3.45Å; S247-F349 PolarHBondContact OG-N 3.21Å |
| 248 | G | 94.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -59.1 | -51.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F243 I252 | F243-G248 PolarHBondContact O-N 3.36Å; G248-I252 VanDerWaalsContact O-CB 3.31Å; G248-I252 WeakPolarHBondContact O-CB 3.42Å; G248-I252 WeakPolarHBondContact O-CD1 3.39Å; G248-I252 WeakPolarHBondContact O-CG1 3.46Å; G248-I252 PolarHBondContact O-N 2.97Å |
| 249 | G | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -55.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I244 S247 V251 I252 C253 | I244-G249 WeakPolarHBondContact O-CA 3.22Å; I244-G249 PolarHBondContact O-N 3.24Å; S247-G249 PolarHBondContact O-N 3.24Å; G249-V251 PolarHBondContact O-N 2.96Å; G249-I252 PolarHBondContact O-N 2.97Å; G249-C253 VanDerWaalsContact O-CB 3.24Å; G249-C253 WeakPolarHBondContact O-CB 3.15Å; G249-C253 PolarHBondContact O-N 3.14Å; G249-C253 PolarHBondContact O-SG 3.5Å |
| 250 | P | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 178.1 | -29.7 | 36.1 | 0 | 0 | 0 | 114.9 | N158 W159 V162 I244 V245 S247 C253 V254 F341 | N158-P250 HydrophobicContact CB-CB 3.75Å; N158-P250 HydrophobicContact CB-CG 3.81Å; W159-P250 HydrophobicContact CD2-CG 4.22Å; W159-P250 HydrophobicContact CG-CG 4.42Å; W159-P250 HydrophobicContact CZ2-CG 4.18Å; V162-P250 HydrophobicContact CG2-CB 3.88Å; I244-P250 WeakPolarHBondContact O-CD 3.28Å; V245-P250 WeakPolarHBondContact O-CG 3.42Å; S247-P250 WeakPolarHBondContact O-CD 3.4Å; P250-C253 PolarHBondContact O-N 3.44Å; P250-V254 WeakPolarHBondContact O-CB 3.39Å; P250-V254 VanDerWaalsContact O-CG2 3.31Å; P250-V254 WeakPolarHBondContact O-CG2 3.45Å; P250-V254 PolarHBondContact O-N 2.96Å; P250-F341 HydrophobicContact CB-CZ 3.91Å |
| 251 | V | 95.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -51.3 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | S247 G249 C253 V254 C255 F341 F342 E345 | S247-V251 WeakPolarHBondContact O-CB 3.34Å; S247-V251 WeakPolarHBondContact O-CG2 3.21Å; S247-V251 PolarHBondContact O-N 3Å; G249-V251 PolarHBondContact O-N 2.96Å; V251-C253 PolarHBondContact O-N 3.39Å; V251-V254 PolarHBondContact O-N 2.72Å; V251-C255 WeakPolarHBondContact O-CB 3.29Å; V251-C255 PolarHBondContact O-N 2.95Å; V251-C255 PolarHBondContact O-SG 3.27Å; V251-F341 HydrophobicContact CG2-CE1 4.12Å; V251-F341 HydrophobicContact CG2-CZ 4.39Å; V251-F342 HydrophobicContact CG1-CD2 4.18Å; V251-F342 HydrophobicContact CG1-CE2 4.33Å; V251-E345 HydrophobicContact CG2-CB 3.99Å |
| 252 | I | 96.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 34.2 Ų | 34.2 | 47% | 0.467 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 179.6 | -66.2 | 166.6 | 0 | 0 | 0 | 110.6 | G248 G249 V254 C255 V256 F349 | G248-I252 VanDerWaalsContact O-CB 3.31Å; G248-I252 WeakPolarHBondContact O-CB 3.42Å; G248-I252 WeakPolarHBondContact O-CD1 3.39Å; G248-I252 WeakPolarHBondContact O-CG1 3.46Å; G248-I252 PolarHBondContact O-N 2.97Å; G249-I252 PolarHBondContact O-N 2.97Å; I252-V254 PolarHBondContact O-N 3.34Å; I252-C255 PolarHBondContact O-N 3.41Å; I252-V256 HydrophobicContact CG2-CG2 4.21Å; I252-V256 WeakPolarHBondContact O-CB 3.37Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.15Å; I252-V256 PolarHBondContact O-N 2.93Å; I252-F349 HydrophobicContact CD1-CE2 4.5Å |
| 253 | C | 97.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 177.7 | -77.1 | 0 | 0 | 0 | 0 | 112 | V162 G249 P250 V251 C255 V256 L257 | V162-C253 HydrophobicContact CG1-CB 3.85Å; V162-C253 HydrophobicContact CG2-CB 3.94Å; G249-C253 VanDerWaalsContact O-CB 3.24Å; G249-C253 WeakPolarHBondContact O-CB 3.15Å; G249-C253 PolarHBondContact O-N 3.14Å; G249-C253 PolarHBondContact O-SG 3.5Å; P250-C253 PolarHBondContact O-N 3.44Å; V251-C253 PolarHBondContact O-N 3.39Å; C253-C255 PolarHBondContact O-N 3.32Å; C253-V256 PolarHBondContact O-N 2.93Å; C253-L257 VanDerWaalsContact O-CB 3.29Å; C253-L257 WeakPolarHBondContact O-CB 3.45Å; C253-L257 WeakPolarHBondContact O-CD1 3.46Å; C253-L257 WeakPolarHBondContact O-CG 3.3Å; C253-L257 PolarHBondContact O-N 2.85Å |
| 254 | V | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 179 | 171.6 | 0 | 0 | 0 | 0 | 111 | V161 V162 A165 P250 V251 I252 S258 C338 F341 | V161-V254 HydrophobicContact CG1-CG2 4.01Å; V162-V254 HydrophobicContact CG2-CG2 4Å; A165-V254 HydrophobicContact CB-CG2 4.32Å; P250-V254 WeakPolarHBondContact O-CB 3.39Å; P250-V254 VanDerWaalsContact O-CG2 3.31Å; P250-V254 WeakPolarHBondContact O-CG2 3.45Å; P250-V254 PolarHBondContact O-N 2.96Å; V251-V254 PolarHBondContact O-N 2.72Å; I252-V254 PolarHBondContact O-N 3.34Å; V254-S258 WeakPolarHBondContact O-CB 3.28Å; V254-S258 PolarHBondContact O-N 3.24Å; V254-S258 PolarHBondContact O-OG 3.21Å; V254-C338 HydrophobicContact CG1-CB 3.96Å; V254-F341 HydrophobicContact CB-CD1 4.13Å; V254-F341 HydrophobicContact CB-CE1 4.1Å; V254-F341 HydrophobicContact CG1-CD1 4.02Å; V254-F341 HydrophobicContact CG2-CD1 3.97Å; V254-F341 HydrophobicContact CG2-CE1 3.79Å |
| 255 | C | 95.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 40 Ų | 40 | 31% | 0.311 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -51.9 | 175.9 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | V251 I252 C253 S258 A259 F342 | V251-C255 WeakPolarHBondContact O-CB 3.29Å; V251-C255 PolarHBondContact O-N 2.95Å; V251-C255 PolarHBondContact O-SG 3.27Å; I252-C255 PolarHBondContact O-N 3.41Å; C253-C255 PolarHBondContact O-N 3.32Å; C255-S258 PolarHBondContact O-N 3.27Å; C255-A259 VanDerWaalsContact O-CB 3.25Å; C255-A259 WeakPolarHBondContact O-CB 3.31Å; C255-A259 PolarHBondContact O-N 2.94Å; C255-F342 WeakPolarHBondContact SG-CD2 3.45Å; C255-F342 WeakPolarHBondContact SG-CE2 3.45Å |
| 256 | V | 96.7 | Very high | 94.4 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 42% | 0.418 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -49.7 | -177 | 171 | 0 | 0 | 0 | 0 | 110.6 | I252 C253 S258 A259 F260 | I252-V256 HydrophobicContact CG2-CG2 4.21Å; I252-V256 WeakPolarHBondContact O-CB 3.37Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.15Å; I252-V256 PolarHBondContact O-N 2.93Å; C253-V256 PolarHBondContact O-N 2.93Å; V256-S258 PolarHBondContact O-N 3.48Å; V256-A259 PolarHBondContact O-N 3.49Å; V256-F260 HydrophobicContact CG1-CD2 3.75Å; V256-F260 HydrophobicContact CG1-CE2 3.37Å; V256-F260 HydrophobicContact CG1-CZ 4.4Å; V256-F260 WeakPolarHBondContact O-CD2 3.38Å; V256-F260 PolarHBondContact O-N 2.9Å |
| 257 | L | 96.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 178.9 | -69.5 | 168.1 | 0 | 0 | 0 | 111.6 | V162 A165 A166 Y169 C253 F260 V261 | V162-L257 HydrophobicContact CG1-CD1 4.44Å; A165-L257 HydrophobicContact CB-CB 4.06Å; A165-L257 HydrophobicContact CB-CD1 3.95Å; A166-L257 HydrophobicContact CB-CD1 4.02Å; Y169-L257 HydrophobicContact CD1-CD2 4.37Å; Y169-L257 HydrophobicContact CD2-CD2 4.46Å; Y169-L257 HydrophobicContact CG-CD2 4.05Å; C253-L257 VanDerWaalsContact O-CB 3.29Å; C253-L257 WeakPolarHBondContact O-CB 3.45Å; C253-L257 WeakPolarHBondContact O-CD1 3.46Å; C253-L257 WeakPolarHBondContact O-CG 3.3Å; C253-L257 PolarHBondContact O-N 2.85Å; L257-F260 PolarHBondContact O-N 3.37Å; L257-V261 WeakPolarHBondContact O-CG2 3.11Å; L257-V261 PolarHBondContact O-N 3.46Å |
| 258 | S | 93.7 | Very high | 94 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 112 | V254 C255 V256 V261 I262 | V254-S258 WeakPolarHBondContact O-CB 3.28Å; V254-S258 PolarHBondContact O-N 3.24Å; V254-S258 PolarHBondContact O-OG 3.21Å; C255-S258 PolarHBondContact O-N 3.27Å; V256-S258 PolarHBondContact O-N 3.48Å; S258-V261 PolarHBondContact O-N 2.9Å; S258-I262 WeakPolarHBondContact O-CD1 3.29Å; S258-I262 VanDerWaalsContact O-CG1 3.23Å; S258-I262 WeakPolarHBondContact O-CG1 3.35Å; S258-I262 PolarHBondContact O-N 3.06Å |
| 259 | A | 94.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C255 V256 I262 R263 | C255-A259 VanDerWaalsContact O-CB 3.25Å; C255-A259 WeakPolarHBondContact O-CB 3.31Å; C255-A259 PolarHBondContact O-N 2.94Å; V256-A259 PolarHBondContact O-N 3.49Å; A259-I262 PolarHBondContact O-N 3.37Å; A259-R263 VanDerWaalsContact O-CG 3.31Å; A259-R263 WeakPolarHBondContact O-CG 3.3Å; A259-R263 PolarHBondContact O-N 2.72Å |
| 260 | F | 94.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 68.7 Ų | 68.7 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.6 | -75.4 | -55.5 | 0 | 0 | 0 | 112.2 | Y169 V256 L257 I262 R263 I264 | Y169-F260 HydrophobicContact CD2-CB 3.96Å; Y169-F260 HydrophobicContact CE2-CB 3.72Å; Y169-F260 HydrophobicContact CE2-CG 4.29Å; V256-F260 HydrophobicContact CG1-CD2 3.75Å; V256-F260 HydrophobicContact CG1-CE2 3.37Å; V256-F260 HydrophobicContact CG1-CZ 4.4Å; V256-F260 WeakPolarHBondContact O-CD2 3.38Å; V256-F260 PolarHBondContact O-N 2.9Å; L257-F260 PolarHBondContact O-N 3.37Å; F260-I262 PolarHBondContact O-N 3.25Å; F260-R263 PolarHBondContact O-N 3.04Å; F260-I264 WeakPolarHBondContact O-CG1 3.35Å; F260-I264 PolarHBondContact O-N 3.48Å |
| 261 | V | 92.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 176.3 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | R168 Y169 I172 L257 S258 R263 I264 I265 | R168-V261 HydrophobicContact CG-CG1 4.42Å; R168-V261 HydrophobicContact CG-CG2 4.4Å; R168-V261 VanDerWaalsContact CZ-CG1 3.44Å; Y169-V261 HydrophobicContact CD2-CG2 4.17Å; I172-V261 HydrophobicContact CD1-CB 4.38Å; I172-V261 HydrophobicContact CD1-CG1 3.35Å; I172-V261 HydrophobicContact CD1-CG2 4.23Å; L257-V261 WeakPolarHBondContact O-CG2 3.11Å; L257-V261 PolarHBondContact O-N 3.46Å; S258-V261 PolarHBondContact O-N 2.9Å; V261-R263 PolarHBondContact O-N 2.5Å; V261-I264 PolarHBondContact O-N 3.02Å; V261-I265 HydrophobicContact CG1-CD1 3.67Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 VanDerWaalsContact O-CG1 3.3Å; V261-I265 WeakPolarHBondContact O-CG1 3.34Å; V261-I265 PolarHBondContact O-N 3.07Å |
| 262 | I | 92.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.415 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 179.1 | -68.7 | 163.1 | 0 | 0 | 0 | 110.6 | S258 A259 F260 I264 I265 A266 F335 | S258-I262 WeakPolarHBondContact O-CD1 3.29Å; S258-I262 VanDerWaalsContact O-CG1 3.23Å; S258-I262 WeakPolarHBondContact O-CG1 3.35Å; S258-I262 PolarHBondContact O-N 3.06Å; A259-I262 PolarHBondContact O-N 3.37Å; F260-I262 PolarHBondContact O-N 3.25Å; I262-I264 VanDerWaalsContact C-N 3.31Å; I262-I264 PolarHBondContact O-N 2.98Å; I262-I265 PolarHBondContact O-N 3.2Å; I262-A266 WeakPolarHBondContact O-CB 3.43Å; I262-A266 PolarHBondContact O-N 3.08Å; I262-F335 HydrophobicContact CD1-CE2 3.91Å; I262-F335 HydrophobicContact CD1-CZ 4.09Å; I262-F335 HydrophobicContact CG1-CE2 4.13Å; I262-F335 HydrophobicContact CG1-CZ 4.33Å |
| 263 | R | 93.6 | Very high | 92.4 | Very high | 174 Ų | 174 | 80.7 Ų | 80.7 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.6 | -42.1 | 178.1 | -74.8 | 175.8 | 179.4 | -178.9 | 0.8 | 111.9 | A259 F260 V261 A266 K267 | A259-R263 VanDerWaalsContact O-CG 3.31Å; A259-R263 WeakPolarHBondContact O-CG 3.3Å; A259-R263 PolarHBondContact O-N 2.72Å; F260-R263 PolarHBondContact O-N 3.04Å; V261-R263 PolarHBondContact O-N 2.5Å; R263-A266 PolarHBondContact O-N 3.42Å; R263-K267 WeakPolarHBondContact O-CB 3.21Å; R263-K267 PolarHBondContact O-N 3.17Å |
| 264 | I | 90.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 81.9 Ų | 81.9 | 22% | 0.221 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.7 | -42.1 | -179.7 | -67.9 | 167.9 | 0 | 0 | 0 | 111.3 | Y169 I172 C173 F260 V261 I262 A266 K267 R268 | Y169-I264 HydrophobicContact CE2-CD1 4.48Å; I172-I264 HydrophobicContact CG2-CB 4.23Å; I172-I264 HydrophobicContact CG2-CG2 3.71Å; C173-I264 HydrophobicContact CB-CD1 4.34Å; C173-I264 WeakPolarHBondContact SG-CD1 3.47Å; F260-I264 WeakPolarHBondContact O-CG1 3.35Å; F260-I264 PolarHBondContact O-N 3.48Å; V261-I264 PolarHBondContact O-N 3.02Å; I262-I264 VanDerWaalsContact C-N 3.31Å; I262-I264 PolarHBondContact O-N 2.98Å; I264-A266 VanDerWaalsContact C-N 3.32Å; I264-A266 PolarHBondContact O-N 3.34Å; I264-K267 PolarHBondContact O-N 2.66Å; I264-R268 WeakPolarHBondContact O-CG 3.27Å; I264-R268 PolarHBondContact O-N 3.1Å |
| 265 | I | 89.5 | Confident | 91.7 | Very high | 40 Ų | 40 | 85.6 Ų | 85.6 | 21% | 0.205 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 173.5 | -67.4 | 168 | 0 | 0 | 0 | 110.1 | I172 V261 I262 K267 R268 R269 | I172-I265 HydrophobicContact CD1-CD1 4.04Å; I172-I265 HydrophobicContact CD1-CG1 4.35Å; I172-I265 HydrophobicContact CG2-CG1 4.43Å; V261-I265 HydrophobicContact CG1-CD1 3.67Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 VanDerWaalsContact O-CG1 3.3Å; V261-I265 WeakPolarHBondContact O-CG1 3.34Å; V261-I265 PolarHBondContact O-N 3.07Å; I262-I265 PolarHBondContact O-N 3.2Å; I265-K267 PolarHBondContact O-N 3.08Å; I265-R268 PolarHBondContact O-N 3.12Å; I265-R269 HydrophobicContact CG2-CG 4.47Å; I265-R269 WeakPolarHBondContact O-CG 3.19Å; I265-R269 PolarHBondContact O-N 3.48Å |
| 266 | A | 91.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 88.3 Ų | 88.3 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I262 R263 I264 R268 R269 K270 | I262-A266 WeakPolarHBondContact O-CB 3.43Å; I262-A266 PolarHBondContact O-N 3.08Å; R263-A266 PolarHBondContact O-N 3.42Å; I264-A266 VanDerWaalsContact C-N 3.32Å; I264-A266 PolarHBondContact O-N 3.34Å; A266-R268 PolarHBondContact O-N 3.27Å; A266-R269 PolarHBondContact O-N 2.94Å; A266-K270 PolarHBondContact O-N 3.15Å |
| 267 | K | 91.7 | Very high | 91.1 | Very high | 164 Ų | 164 | 90.6 Ų | 90.6 | 71% | 0.713 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 176.3 | -172.5 | 175.8 | -179.1 | 177.9 | 0 | 112.1 | R263 I264 I265 K270 F271 | R263-K267 WeakPolarHBondContact O-CB 3.21Å; R263-K267 PolarHBondContact O-N 3.17Å; I264-K267 PolarHBondContact O-N 2.66Å; I265-K267 PolarHBondContact O-N 3.08Å; K267-K270 PolarHBondContact O-N 3.29Å; K267-F271 PolarHBondContact O-N 3.29Å |
| 268 | R | 88.7 | Confident | 90.8 | Very high | 133 Ų | 133 | 97 Ų | 97 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.4 | -75.3 | -178.3 | 175 | 168.4 | 3.7 | 112 | I172 I264 I265 A266 K270 F271 H272 | I172-R268 PolarHBondContact O-NH1 3.12Å; I172-R268 PolarHBondContact O-NH2 3.36Å; I264-R268 WeakPolarHBondContact O-CG 3.27Å; I264-R268 PolarHBondContact O-N 3.1Å; I265-R268 PolarHBondContact O-N 3.12Å; A266-R268 PolarHBondContact O-N 3.27Å; R268-K270 PolarHBondContact O-N 3.41Å; R268-F271 PolarHBondContact O-N 3.47Å; R268-H272 WeakPolarHBondContact O-CB 3.26Å; R268-H272 PolarHBondContact O-N 3.27Å |
| 269 | R | 89.2 | Confident | 90.6 | Very high | 171 Ų | 171 | 99.4 Ų | 99.4 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 176.2 | -72.1 | 177.8 | -179 | -164 | 1.3 | 112.3 | I265 A266 H272 R273 | I265-R269 HydrophobicContact CG2-CG 4.47Å; I265-R269 WeakPolarHBondContact O-CG 3.19Å; I265-R269 PolarHBondContact O-N 3.48Å; A266-R269 PolarHBondContact O-N 2.94Å; R269-H272 PolarHBondContact O-N 3.36Å; R269-R273 WeakPolarHBondContact O-CG 3.46Å; R269-R273 PolarHBondContact O-N 2.85Å |
| 270 | K | 92.1 | Very high | 90.3 | Very high | 136 Ų | 136 | 99.8 Ų | 99.8 | 59% | 0.591 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.7 | -49.4 | 175.9 | -175.5 | 179.2 | 177 | -178.2 | 0 | 111.3 | A266 K267 R268 H272 R273 E274 | A266-K270 PolarHBondContact O-N 3.15Å; K267-K270 PolarHBondContact O-N 3.29Å; R268-K270 PolarHBondContact O-N 3.41Å; K270-H272 VanDerWaalsContact C-N 3.29Å; K270-H272 PolarHBondContact O-N 2.94Å; K270-R273 PolarHBondContact O-N 3.42Å; K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 WeakPolarHBondContact O-CG 3.36Å; K270-E274 PolarHBondContact O-N 2.89Å |
| 271 | F | 90.7 | Very high | 90.1 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -36 | 178.6 | -177 | -111 | 0 | 0 | 0 | 112.9 | K267 R268 E274 K275 | K267-F271 PolarHBondContact O-N 3.29Å; R268-F271 PolarHBondContact O-N 3.47Å; F271-E274 PolarHBondContact O-N 3.15Å; F271-K275 HydrophobicContact CD1-CD 4.19Å; F271-K275 HydrophobicContact CE1-CD 3.78Å; F271-K275 HydrophobicContact CE1-CG 4.47Å; F271-K275 VanDerWaalsContact CE1-NZ 3.3Å; F271-K275 HydrophobicContact CZ-CD 4.16Å; F271-K275 PolarHBondContact O-N 3.19Å |
| 272 | H | 85.5 | Confident | 89.9 | Confident | 64 Ų | 64 | 108.5 Ų | 108.5 | 30% | 0.296 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 175.7 | -170.3 | 42.8 | 0 | 0 | 0 | 111.7 | R268 R269 K270 E274 K275 E276 E324 | R268-H272 WeakPolarHBondContact O-CB 3.26Å; R268-H272 PolarHBondContact O-N 3.27Å; R269-H272 PolarHBondContact O-N 3.36Å; K270-H272 VanDerWaalsContact C-N 3.29Å; K270-H272 PolarHBondContact O-N 2.94Å; H272-E274 VanDerWaalsContact C-N 3.28Å; H272-E274 PolarHBondContact O-N 3.43Å; H272-K275 WeakPolarHBondContact O-CB 3.45Å; H272-K275 PolarHBondContact O-N 3.1Å; H272-E276 IonicContact CD2-OE1 3.05Å; H272-E276 IonicContact CE1-OE1 3.87Å; H272-E276 IonicContact NE2-OE1 3.9Å; H272-E276 PolarHBondContact NE2-OE1 3.18Å; H272-E276 WeakPolarHBondContact O-CG 3.37Å; H272-E276 PolarHBondContact O-N 3.36Å; H272-E324 IonicContact CD2-OE1 3.97Å; H272-E324 IonicContact CE1-OE1 3.15Å; H272-E324 PolarHBondContact CE1-OE1 3.22Å; H272-E324 VanDerWaalsContact CE1-OE1 3.23Å; H272-E324 IonicContact CE1-OE2 3.31Å; H272-E324 IonicContact CG-OE1 2.72Å; H272-E324 IonicContact ND1-OE1 2.6Å; H272-E324 PolarHBondContact ND1-OE1 2.72Å; H272-E324 IonicContact NE2-OE1 3.31Å; H272-E324 IonicContact NE2-OE2 3.22Å |
| 273 | R | 89.1 | Confident | 89.8 | Confident | 172 Ų | 172 | 109.9 Ų | 109.9 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.6 | -40.9 | 174.3 | -72.4 | 176.9 | 176.6 | -171.5 | -2.6 | 112.4 | R269 K270 E276 Q277 | R269-R273 WeakPolarHBondContact O-CG 3.46Å; R269-R273 PolarHBondContact O-N 2.85Å; K270-R273 PolarHBondContact O-N 3.42Å; R273-E276 PolarHBondContact O-N 2.91Å; R273-Q277 WeakPolarHBondContact O-CB 3.48Å; R273-Q277 VanDerWaalsContact O-CG 3.23Å; R273-Q277 WeakPolarHBondContact O-CG 3.42Å; R273-Q277 PolarHBondContact O-N 3.47Å |
| 274 | E | 91.7 | Very high | 89.5 | Confident | 69 Ų | 69 | 106.6 Ų | 106.6 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 176 | -72.6 | 172 | -171.2 | 0 | 0 | 112.3 | K270 F271 H272 R278 | K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 WeakPolarHBondContact O-CG 3.36Å; K270-E274 PolarHBondContact O-N 2.89Å; F271-E274 PolarHBondContact O-N 3.15Å; H272-E274 VanDerWaalsContact C-N 3.28Å; H272-E274 PolarHBondContact O-N 3.43Å; E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 VanDerWaalsContact O-CG 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.44Å; E274-R278 PolarHBondContact O-N 2.92Å |
| 275 | K | 87 | Confident | 89.4 | Confident | 79 Ų | 79 | 112.3 Ų | 112.3 | 34% | 0.343 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 174.6 | -83 | -177.1 | 166.5 | -179.7 | 0 | 112.3 | F271 H272 Q277 R278 S279 | F271-K275 HydrophobicContact CD1-CD 4.19Å; F271-K275 HydrophobicContact CE1-CD 3.78Å; F271-K275 HydrophobicContact CE1-CG 4.47Å; F271-K275 VanDerWaalsContact CE1-NZ 3.3Å; F271-K275 HydrophobicContact CZ-CD 4.16Å; F271-K275 PolarHBondContact O-N 3.19Å; H272-K275 WeakPolarHBondContact O-CB 3.45Å; H272-K275 PolarHBondContact O-N 3.1Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.03Å; K275-R278 PolarHBondContact O-N 2.94Å; K275-S279 WeakPolarHBondContact O-CB 3.2Å; K275-S279 PolarHBondContact O-N 2.85Å; K275-S279 PolarHBondContact O-OG 3.27Å |
| 276 | E | 88.6 | Confident | 89.2 | Confident | 104 Ų | 104 | 118.6 Ų | 118.6 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.9 | -70.3 | 178.5 | 143.7 | 0 | 0 | 111 | H272 R273 R278 S279 A280 | H272-E276 IonicContact CD2-OE1 3.05Å; H272-E276 IonicContact CE1-OE1 3.87Å; H272-E276 IonicContact NE2-OE1 3.9Å; H272-E276 PolarHBondContact NE2-OE1 3.18Å; H272-E276 WeakPolarHBondContact O-CG 3.37Å; H272-E276 PolarHBondContact O-N 3.36Å; R273-E276 PolarHBondContact O-N 2.91Å; E276-R278 PolarHBondContact O-N 2.81Å; E276-S279 PolarHBondContact O-N 2.93Å; E276-A280 WeakPolarHBondContact O-CB 3.3Å; E276-A280 PolarHBondContact O-N 3.49Å |
| 277 | Q | 90.2 | Very high | 89 | Confident | 116 Ų | 116 | 121.4 Ų | 121.4 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.7 | -74.5 | 176.8 | -5.4 | 0 | 0 | 112.6 | R273 K275 R281 | R273-Q277 WeakPolarHBondContact O-CB 3.48Å; R273-Q277 VanDerWaalsContact O-CG 3.23Å; R273-Q277 WeakPolarHBondContact O-CG 3.42Å; R273-Q277 PolarHBondContact O-N 3.47Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.03Å; Q277-R281 WeakPolarHBondContact O-CB 3.41Å; Q277-R281 VanDerWaalsContact O-CG 3.3Å; Q277-R281 WeakPolarHBondContact O-CG 3.32Å; Q277-R281 PolarHBondContact O-N 3.3Å |
| 278 | R | 89.8 | Confident | 88.6 | Confident | 168 Ų | 168 | 117 Ų | 117 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 175.3 | -75.3 | 176.2 | -174.6 | -167.4 | 2.5 | 111.9 | E274 K275 E276 R281 N282 | E274-R278 WeakPolarHBondContact O-CB 3.46Å; E274-R278 VanDerWaalsContact O-CG 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.44Å; E274-R278 PolarHBondContact O-N 2.92Å; K275-R278 PolarHBondContact O-N 2.94Å; E276-R278 PolarHBondContact O-N 2.81Å; R278-R281 PolarHBondContact O-N 2.75Å; R278-N282 WeakPolarHBondContact O-CB 3.42Å; R278-N282 PolarHBondContact O-N 3.26Å; R278-N282 PolarHBondContact O-ND2 3.49Å |
| 279 | S | 89.1 | Confident | 88.3 | Confident | 68 Ų | 68 | 114.9 Ų | 114.9 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | K275 E276 N282 L283 | K275-S279 WeakPolarHBondContact O-CB 3.2Å; K275-S279 PolarHBondContact O-N 2.85Å; K275-S279 PolarHBondContact O-OG 3.27Å; E276-S279 PolarHBondContact O-N 2.93Å; S279-N282 PolarHBondContact O-N 3.18Å; S279-L283 WeakPolarHBondContact O-CG 3.1Å; S279-L283 PolarHBondContact O-N 2.99Å |
| 280 | A | 88 | Confident | 87.8 | Confident | 49 Ų | 49 | 112.6 Ų | 112.6 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E276 N282 L283 L284 | E276-A280 WeakPolarHBondContact O-CB 3.3Å; E276-A280 PolarHBondContact O-N 3.49Å; A280-N282 VanDerWaalsContact C-N 3.35Å; A280-N282 PolarHBondContact O-N 2.95Å; A280-L283 PolarHBondContact O-N 3.37Å; A280-L284 WeakPolarHBondContact O-CG 3.49Å; A280-L284 PolarHBondContact O-N 3.29Å |
| 281 | R | 89.9 | Confident | 87.2 | Confident | 178 Ų | 178 | 111 Ų | 111 | 67% | 0.672 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 174.6 | -75.8 | 178.6 | -177.1 | 175.9 | 2 | 112.6 | Q277 R278 L284 R285 | Q277-R281 WeakPolarHBondContact O-CB 3.41Å; Q277-R281 VanDerWaalsContact O-CG 3.3Å; Q277-R281 WeakPolarHBondContact O-CG 3.32Å; Q277-R281 PolarHBondContact O-N 3.3Å; R278-R281 PolarHBondContact O-N 2.75Å; R281-L284 PolarHBondContact O-N 2.9Å; R281-R285 WeakPolarHBondContact O-CB 3.46Å; R281-R285 PolarHBondContact O-N 3.24Å |
| 282 | N | 89.7 | Confident | 86.5 | Confident | 98 Ų | 98 | 111.4 Ų | 111.4 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 178.1 | -72.3 | -17.6 | 0 | 0 | 0 | 112.1 | R278 S279 A280 R286 | R278-N282 WeakPolarHBondContact O-CB 3.42Å; R278-N282 PolarHBondContact O-N 3.26Å; R278-N282 PolarHBondContact O-ND2 3.49Å; S279-N282 PolarHBondContact O-N 3.18Å; A280-N282 VanDerWaalsContact C-N 3.35Å; A280-N282 PolarHBondContact O-N 2.95Å; N282-R286 WeakPolarHBondContact O-CG 3.36Å; N282-R286 PolarHBondContact O-N 2.89Å; N282-R286 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 89 | Confident | 85.8 | Confident | 110 Ų | 110 | 113 Ų | 113 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 173.7 | -72.5 | 171.2 | 0 | 0 | 0 | 111.4 | S279 A280 R285 R286 Q287 | S279-L283 WeakPolarHBondContact O-CG 3.1Å; S279-L283 PolarHBondContact O-N 2.99Å; A280-L283 PolarHBondContact O-N 3.37Å; L283-R285 PolarHBondContact O-N 2.94Å; L283-R286 PolarHBondContact O-N 3.48Å; L283-Q287 PolarHBondContact O-N 3.37Å |
| 284 | L | 88.1 | Confident | 84.7 | Confident | 105 Ų | 105 | 110 Ų | 110 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.6 | -73.8 | 171.4 | 0 | 0 | 0 | 111.7 | A280 R281 R286 Q287 T288 | A280-L284 WeakPolarHBondContact O-CG 3.49Å; A280-L284 PolarHBondContact O-N 3.29Å; R281-L284 PolarHBondContact O-N 2.9Å; L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 3.32Å; L284-Q287 WeakPolarHBondContact O-CB 3.4Å; L284-Q287 PolarHBondContact O-N 2.74Å; L284-Q287 VanDerWaalsContact O-N 3.16Å; L284-T288 PolarHBondContact O-N 2.88Å; L284-T288 PolarHBondContact O-OG1 2.81Å |
| 285 | R | 88.8 | Confident | 83.4 | Confident | 164 Ų | 164 | 113.3 Ų | 113.3 | 62% | 0.619 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62 | -36.5 | 178.4 | -170.7 | 176.2 | -175.9 | -177.6 | -0.1 | 112.8 | R281 L283 T288 M289 | R281-R285 WeakPolarHBondContact O-CB 3.46Å; R281-R285 PolarHBondContact O-N 3.24Å; L283-R285 PolarHBondContact O-N 2.94Å; R285-T288 PolarHBondContact O-N 3.35Å; R285-M289 HydrophobicContact CG-CE 3.93Å; R285-M289 WeakPolarHBondContact O-CG 3.5Å; R285-M289 PolarHBondContact O-N 3.35Å; R285-M289 VanDerWaalsContact O-N 3.1Å |
| 286 | R | 85.9 | Confident | 82.3 | Confident | 171 Ų | 171 | 112.1 Ų | 112.1 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 174.4 | -77.4 | -178.6 | 174.5 | -178.4 | -2.2 | 111.8 | N282 L283 L284 T288 M289 E290 | N282-R286 WeakPolarHBondContact O-CG 3.36Å; N282-R286 PolarHBondContact O-N 2.89Å; N282-R286 VanDerWaalsContact O-N 3.11Å; L283-R286 PolarHBondContact O-N 3.48Å; L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 3.32Å; R286-T288 VanDerWaalsContact C-N 3.34Å; R286-T288 PolarHBondContact O-N 2.89Å; R286-M289 PolarHBondContact O-N 2.95Å; R286-E290 PolarHBondContact O-N 2.85Å |
| 287 | Q | 85.2 | Confident | 80.9 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.8 | -71.4 | 178.6 | -28.3 | 0 | 0 | 112.1 | L283 L284 E290 I291 | L283-Q287 PolarHBondContact O-N 3.37Å; L284-Q287 WeakPolarHBondContact O-CB 3.4Å; L284-Q287 PolarHBondContact O-N 2.74Å; L284-Q287 VanDerWaalsContact O-N 3.16Å; Q287-E290 PolarHBondContact O-N 3.2Å; Q287-I291 WeakPolarHBondContact O-CG1 3.43Å; Q287-I291 PolarHBondContact O-N 2.87Å; Q287-I291 VanDerWaalsContact O-N 3.13Å |
| 288 | T | 84.3 | Confident | 79.4 | Confident | 73 Ų | 73 | 111.4 Ų | 111.4 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.1 | -10.7 | 0 | 0 | 0 | 0 | 111.7 | L284 R285 R286 E290 I291 E292 | L284-T288 PolarHBondContact O-N 2.88Å; L284-T288 PolarHBondContact O-OG1 2.81Å; R285-T288 PolarHBondContact O-N 3.35Å; R286-T288 VanDerWaalsContact C-N 3.34Å; R286-T288 PolarHBondContact O-N 2.89Å; T288-E290 PolarHBondContact O-N 2.97Å; T288-I291 PolarHBondContact O-N 3.47Å; T288-E292 PolarHBondContact O-N 3.17Å |
| 289 | M | 81.5 | Confident | 78 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 176.3 | -73.2 | 178.3 | -176.5 | 0 | 0 | 113 | R285 R286 N293 | R285-M289 HydrophobicContact CG-CE 3.93Å; R285-M289 WeakPolarHBondContact O-CG 3.5Å; R285-M289 PolarHBondContact O-N 3.35Å; R285-M289 VanDerWaalsContact O-N 3.1Å; R286-M289 PolarHBondContact O-N 2.95Å; M289-N293 VanDerWaalsContact O-CB 3.31Å; M289-N293 WeakPolarHBondContact O-CB 3.4Å; M289-N293 PolarHBondContact O-N 3.25Å; M289-N293 PolarHBondContact O-ND2 3Å |
| 290 | E | 79.7 | Confident | 76.6 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.1 | -37.1 | 174.9 | -77.3 | -178.1 | -179.1 | 0 | 0 | 112.1 | R286 Q287 T288 N294 | R286-E290 PolarHBondContact O-N 2.85Å; Q287-E290 PolarHBondContact O-N 3.2Å; T288-E290 PolarHBondContact O-N 2.97Å; E290-N294 WeakPolarHBondContact O-CB 3.42Å; E290-N294 PolarHBondContact O-N 3.07Å; E290-N294 VanDerWaalsContact O-N 3.15Å; E290-N294 PolarHBondContact O-ND2 3.12Å; E290-N294 VanDerWaalsContact O-ND2 3.14Å |
| 291 | I | 78.6 | Confident | 75 | Confident | 102 Ų | 102 | 114 Ų | 114 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 177 | -66.7 | 165.3 | 0 | 0 | 0 | 111 | Q287 T288 N294 Q295 | Q287-I291 WeakPolarHBondContact O-CG1 3.43Å; Q287-I291 PolarHBondContact O-N 2.87Å; Q287-I291 VanDerWaalsContact O-N 3.13Å; T288-I291 PolarHBondContact O-N 3.47Å; I291-N294 PolarHBondContact O-N 3.34Å; I291-Q295 PolarHBondContact O-N 3.2Å; I291-Q295 VanDerWaalsContact O-N 3.15Å |
| 292 | E | 75.8 | Confident | 73.4 | Confident | 123 Ų | 123 | 112.4 Ų | 112.4 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -44.5 | 178.8 | -74.4 | 178.8 | 172 | 0 | 0 | 112.2 | T288 N294 Q295 S296 | T288-E292 PolarHBondContact O-N 3.17Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 3.12Å; E292-Q295 PolarHBondContact O-N 3.44Å; E292-Q295 VanDerWaalsContact O-N 3.17Å; E292-S296 PolarHBondContact O-N 3.16Å |
| 293 | N | 71.5 | Confident | 72 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -34.2 | 177.9 | -78.4 | -20.7 | 0 | 0 | 0 | 112.6 | M289 S296 N297 | M289-N293 VanDerWaalsContact O-CB 3.31Å; M289-N293 WeakPolarHBondContact O-CB 3.4Å; M289-N293 PolarHBondContact O-N 3.25Å; M289-N293 PolarHBondContact O-ND2 3Å; N293-S296 PolarHBondContact O-OG 3.28Å; N293-N297 WeakPolarHBondContact O-CB 3.46Å; N293-N297 VanDerWaalsContact O-CG 3.27Å; N293-N297 PolarHBondContact O-N 3.08Å; N293-N297 PolarHBondContact O-ND2 2.73Å |
| 294 | N | 65.8 | Low | 70.3 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.2 | -34.9 | 175.3 | -75.7 | -23 | 0 | 0 | 0 | 111.8 | E290 I291 E292 L298 | E290-N294 WeakPolarHBondContact O-CB 3.42Å; E290-N294 PolarHBondContact O-N 3.07Å; E290-N294 VanDerWaalsContact O-N 3.15Å; E290-N294 PolarHBondContact O-ND2 3.12Å; E290-N294 VanDerWaalsContact O-ND2 3.14Å; I291-N294 PolarHBondContact O-N 3.34Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 3.12Å; N294-L298 WeakPolarHBondContact O-CB 3.49Å; N294-L298 PolarHBondContact O-N 3.17Å |
| 295 | Q | 65.6 | Low | 68.5 | Low | 138 Ų | 138 | 115.1 Ų | 115.1 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.3 | -40.8 | 174.9 | -75.3 | -174.4 | -8.9 | 0 | 0 | 112.7 | I291 E292 L298 K299 | I291-Q295 PolarHBondContact O-N 3.2Å; I291-Q295 VanDerWaalsContact O-N 3.15Å; E292-Q295 PolarHBondContact O-N 3.44Å; E292-Q295 VanDerWaalsContact O-N 3.17Å; Q295-L298 PolarHBondContact O-N 2.64Å; Q295-K299 PolarHBondContact O-N 2.96Å; Q295-K299 VanDerWaalsContact O-N 3.12Å |
| 296 | S | 62.3 | Low | 66.7 | Low | 53 Ų | 53 | 117.1 Ų | 117.1 | 37% | 0.371 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -38.7 | 176.3 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | E292 N293 K299 N300 | E292-S296 PolarHBondContact O-N 3.16Å; N293-S296 PolarHBondContact O-OG 3.28Å; S296-K299 PolarHBondContact O-N 2.73Å; S296-N300 PolarHBondContact O-N 3.27Å |
| 297 | N | 59 | Low | 65 | Low | 82 Ų | 82 | 114.4 Ų | 114.4 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -35.2 | 174.9 | -74.3 | -17.4 | 0 | 0 | 0 | 112 | N293 K299 N300 N301 | N293-N297 WeakPolarHBondContact O-CB 3.46Å; N293-N297 VanDerWaalsContact O-CG 3.27Å; N293-N297 PolarHBondContact O-N 3.08Å; N293-N297 PolarHBondContact O-ND2 2.73Å; N297-K299 VanDerWaalsContact C-N 3.32Å; N297-K299 PolarHBondContact O-N 3.39Å; N297-N300 PolarHBondContact O-N 3.37Å; N297-N301 WeakPolarHBondContact O-CB 3.38Å; N297-N301 PolarHBondContact O-N 3.12Å; N297-N301 PolarHBondContact O-ND2 3.48Å |
| 298 | L | 60.4 | Low | 63.3 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -41.1 | 173.5 | -138 | 85 | 0 | 0 | 0 | 111.2 | N294 Q295 I302 | N294-L298 WeakPolarHBondContact O-CB 3.49Å; N294-L298 PolarHBondContact O-N 3.17Å; Q295-L298 PolarHBondContact O-N 2.64Å; L298-I302 WeakPolarHBondContact O-CG1 3.37Å; L298-I302 PolarHBondContact O-N 2.82Å |
| 299 | K | 60.5 | Low | 61.7 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 70% | 0.7 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.4 | -37.4 | 178.7 | -163.4 | 175.5 | -177.9 | -178.2 | 0 | 112.8 | Q295 S296 N297 | Q295-K299 PolarHBondContact O-N 2.96Å; Q295-K299 VanDerWaalsContact O-N 3.12Å; S296-K299 PolarHBondContact O-N 2.73Å; N297-K299 VanDerWaalsContact C-N 3.32Å; N297-K299 PolarHBondContact O-N 3.39Å |
| 300 | N | 58.3 | Low | 60.4 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -79.8 | -31.5 | 177.9 | -70.5 | -12.9 | 0 | 0 | 0 | 113.1 | S296 N297 I302 I303 N304 | S296-N300 PolarHBondContact O-N 3.27Å; N297-N300 PolarHBondContact O-N 3.37Å; N300-I302 VanDerWaalsContact C-N 3.31Å; N300-I302 PolarHBondContact O-N 2.93Å; N300-I303 PolarHBondContact O-N 2.83Å; N300-N304 PolarHBondContact O-N 3.45Å; N300-N304 VanDerWaalsContact O-N 3.11Å |
| 301 | N | 54.2 | Low | 59 | Low | 85 Ų | 85 | 122.1 Ų | 122.1 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.3 | -25.3 | 176.8 | -77.1 | -14.1 | 0 | 0 | 0 | 112.8 | N297 I303 N304 N305 | N297-N301 WeakPolarHBondContact O-CB 3.38Å; N297-N301 PolarHBondContact O-N 3.12Å; N297-N301 PolarHBondContact O-ND2 3.48Å; N301-I303 PolarHBondContact O-N 2.92Å; N301-N304 PolarHBondContact O-N 2.74Å; N301-N305 HydrophobicContact CB-CB 4.49Å; N301-N305 WeakPolarHBondContact O-CB 3.48Å; N301-N305 PolarHBondContact O-N 3.32Å |
| 302 | I | 57.7 | Low | 57.5 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 74% | 0.744 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.5 | -24.7 | 168.8 | -67.3 | 171.8 | 0 | 0 | 0 | 110.9 | L298 N300 | L298-I302 WeakPolarHBondContact O-CG1 3.37Å; L298-I302 PolarHBondContact O-N 2.82Å; N300-I302 VanDerWaalsContact C-N 3.31Å; N300-I302 PolarHBondContact O-N 2.93Å |
| 303 | I | 59.7 | Low | 56.2 | Low | 125 Ų | 125 | 131.4 Ų | 131.4 | 64% | 0.641 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90.3 | -30.9 | 179.1 | -57.6 | 178.2 | 0 | 0 | 0 | 111.8 | N300 N301 | N300-I303 PolarHBondContact O-N 2.83Å; N301-I303 PolarHBondContact O-N 2.92Å |
| 304 | N | 53 | Low | 55.1 | Low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -129.2 | 7.4 | -165 | -73.1 | -22.2 | 0 | 0 | 0 | 118.1 | N300 N301 Y306 | N300-N304 PolarHBondContact O-N 3.45Å; N300-N304 VanDerWaalsContact O-N 3.11Å; N301-N304 PolarHBondContact O-N 2.74Å; N304-Y306 PolarHBondContact O-N 3.41Å |
| 305 | N | 51.1 | Low | 54.5 | Low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | trans | -84.1 | 77.2 | -175 | -149.6 | 5.5 | 0 | 0 | 0 | 114.1 | N301 | N301-N305 HydrophobicContact CB-CB 4.49Å; N301-N305 WeakPolarHBondContact O-CB 3.48Å; N301-N305 PolarHBondContact O-N 3.32Å | ||
| 306 | Y | 50.4 | Low | 53.5 | Low | 207 Ų | 207 | 134 Ų | 134 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | -117.6 | 117.5 | 147.5 | -149.9 | -94 | 0 | 0 | 0 | 105.4 | N304 | N304-Y306 PolarHBondContact O-N 3.41Š| ||
| 307 | N | 50.7 | Low | 52.9 | Low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 96.8 | 103.5 | 173 | -52.6 | -29.8 | 0 | 0 | 0 | 119.6 | ||
| 308 | N | 49.1 | Very low | 52.3 | Low | 134 Ų | 134 | 138.8 Ų | 138.8 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | 71.8 | 132.6 | 124 | -61.8 | -20.5 | 0 | 0 | 0 | 123.4 | |||||
| 309 | N | 51.1 | Low | 51.8 | Low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 89.9 | 100.6 | 149.3 | -63.9 | -17.8 | 0 | 0 | 0 | 119.5 | L311 | N309-L311 PolarHBondContact O-N 3.5Š| ||
| 310 | P | 53.4 | Low | 51.1 | Low | 135 Ų | 135 | 140.4 Ų | 140.4 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | trans | -78.8 | 115.7 | 170.1 | 30.3 | -30 | 0 | 0 | 0 | 111.4 | ||||
| 311 | L | 49.8 | Very low | 50.6 | Low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -106.5 | 123.5 | -178.9 | -111.8 | 156.1 | 0 | 0 | 0 | 112.4 | N309 | N309-L311 PolarHBondContact O-N 3.5Š| ||
| 312 | K | 47.9 | Very low | 50.4 | Low | 176 Ų | 176 | 145.8 Ų | 145.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | 23.1 | 109.6 | 152.1 | -83.4 | 176.3 | 169.7 | 174.4 | 0 | 119.5 | N314 | K312-N314 PolarHBondContact O-N 2.96Š| ||
| 313 | R | 49.4 | Very low | 49.8 | Very low | 243 Ų | 243 | 145.5 Ų | 145.5 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -77.6 | 101.7 | 160 | -135.4 | 175.9 | 177.4 | 160.6 | -1.5 | 109.5 | S315 | R313-S315 PolarHBondContact O-N 3.49Š| ||
| 314 | N | 47.9 | Very low | 49.1 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | -89.9 | 96.1 | 172.8 | -82.2 | -12.1 | 0 | 0 | 0 | 110.2 | K312 N316 | K312-N314 PolarHBondContact O-N 2.96Å; N314-N316 PolarHBondContact O-N 2.93Å | ||
| 315 | S | 53.2 | Low | 48.9 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -93.6 | 69.2 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | R313 | R313-S315 PolarHBondContact O-N 3.49Š| ||
| 316 | N | 44.6 | Very low | 48.7 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -110.8 | 84.8 | 173.9 | -72.9 | -6.6 | 0 | 0 | 0 | 109.9 | N314 | N314-N316 PolarHBondContact O-N 2.93Š| ||
| 317 | G | 48.7 | Very low | 48.5 | Very low | 60 Ų | 60 | 141.9 Ų | 141.9 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | trans | -130.9 | 57.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T319 | G317-T319 PolarHBondContact O-N 3.4Š| ||
| 318 | L | 46.9 | Very low | 48.5 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -63.2 | 95.6 | 177.4 | -160.2 | 79.6 | 0 | 0 | 0 | 109.2 | K320 | L318-K320 PolarHBondContact O-N 2.98Š| ||
| 319 | T | 51.2 | Low | 48.9 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -63.2 | 105.1 | 168.2 | 42.2 | 0 | 0 | 0 | 0 | 108 | G317 E321 | G317-T319 PolarHBondContact O-N 3.4Å; T319-E321 PolarHBondContact O-N 3.34Å | ||
| 320 | K | 45.7 | Very low | 49.8 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -60.2 | 89.1 | 166.1 | -171.5 | 176.6 | -176.4 | 175.6 | 0 | 107.4 | L318 L322 | L318-K320 PolarHBondContact O-N 2.98Å; K320-L322 PolarHBondContact O-N 3.24Å | ||
| 321 | E | 47.1 | Very low | 51.1 | Low | 166 Ų | 166 | 126.5 Ų | 126.5 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | -50.5 | 109 | 167.2 | -83.9 | -170.1 | 143.7 | 0 | 0 | 106.7 | T319 T323 | T319-E321 PolarHBondContact O-N 3.34Å; E321-T323 VanDerWaalsContact C-N 3.27Å; E321-T323 PolarHBondContact O-N 2.95Å | ||
| 322 | L | 49.5 | Very low | 52.9 | Low | 125 Ų | 125 | 127 Ų | 127 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | trans | -61.9 | 103.9 | 161.1 | -71.9 | 165.4 | 0 | 0 | 0 | 104.2 | K320 E324 | K320-L322 PolarHBondContact O-N 3.24Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 3.22Å | ||
| 323 | T | 44.4 | Very low | 54.9 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 85% | 0.847 | 64% | 0.635 | S | S | * | * | trans | -51.6 | 92.1 | 177.8 | 20.4 | 0 | 0 | 0 | 0 | 109 | E321 R325 | E321-T323 VanDerWaalsContact C-N 3.27Å; E321-T323 PolarHBondContact O-N 2.95Å; T323-R325 PolarHBondContact O-N 3.44Å | ||
| 324 | E | 46.3 | Very low | 56.9 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 58% | 0.575 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 128.4 | 172.2 | -70.1 | -161.1 | 151 | 0 | 0 | 106.9 | H272 L322 P326 | H272-E324 IonicContact CD2-OE1 3.97Å; H272-E324 IonicContact CE1-OE1 3.15Å; H272-E324 PolarHBondContact CE1-OE1 3.22Å; H272-E324 VanDerWaalsContact CE1-OE1 3.23Å; H272-E324 IonicContact CE1-OE2 3.31Å; H272-E324 IonicContact CG-OE1 2.72Å; H272-E324 IonicContact ND1-OE1 2.6Å; H272-E324 PolarHBondContact ND1-OE1 2.72Å; H272-E324 IonicContact NE2-OE1 3.31Å; H272-E324 IonicContact NE2-OE2 3.22Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 3.22Å; E324-P326 WeakPolarHBondContact O-CD 3.33Å | ||
| 325 | R | 48.3 | Very low | 58.9 | Low | 197 Ų | 197 | 104 Ų | 104 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | trans | -67.3 | 111.3 | 159.9 | -87.8 | -177.2 | 175.3 | -176.8 | -3.4 | 105.7 | T323 A327 | T323-R325 PolarHBondContact O-N 3.44Å; R325-A327 PolarHBondContact O-N 3.02Å | ||
| 326 | P | 47 | Very low | 60.8 | Low | 111 Ų | 111 | 99.9 Ų | 99.9 | 72% | 0.721 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 134 | 161 | 22.3 | -31.9 | 0 | 0 | 0 | 106.6 | E324 P328 | E324-P326 WeakPolarHBondContact O-CD 3.33Å; P326-P328 WeakPolarHBondContact O-CD 3.17Å |
| 327 | A | 46.2 | Very low | 63.2 | Low | 71 Ų | 71 | 92.3 Ų | 92.3 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -47 | 116.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 107 | R325 S329 | R325-A327 PolarHBondContact O-N 3.02Å; A327-S329 PolarHBondContact O-N 3.34Å |
| 328 | P | 51.2 | Low | 65.4 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 135.2 | -173.6 | 20.7 | -31.9 | 0 | 0 | 0 | 106.8 | P326 G330 D331 | P326-P328 WeakPolarHBondContact O-CD 3.17Å; P328-G330 PolarHBondContact O-N 3.48Å; P328-D331 PolarHBondContact O-N 3.04Å |
| 329 | S | 58.1 | Low | 67.6 | Low | 91 Ų | 91 | 84.3 Ų | 84.3 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -18.1 | -174.6 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | A327 | A327-S329 PolarHBondContact O-N 3.34Š|
| 330 | G | 69.3 | Low | 69.6 | Low | 7 Ų | 7 | 79.8 Ų | 79.8 | 7% | 0.072 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.8 | -17.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116.8 | M75 P328 K332 L333 M334 | M75-G330 VanDerWaalsContact SD-CA 3.57Å; P328-G330 PolarHBondContact O-N 3.48Å; G330-K332 VanDerWaalsContact C-N 3.32Å; G330-K332 PolarHBondContact O-N 3Å; G330-L333 WeakPolarHBondContact O-CB 3.43Å; G330-L333 PolarHBondContact O-N 2.89Å; G330-L333 VanDerWaalsContact O-N 3.14Å; G330-M334 WeakPolarHBondContact O-CG 3.25Å; G330-M334 PolarHBondContact O-N 3.38Å |
| 331 | D | 80.1 | Confident | 71.9 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -37.5 | -176.6 | -88.6 | 1.9 | 0 | 0 | 0 | 112.7 | P328 M334 F335 | P328-D331 PolarHBondContact O-N 3.04Å; D331-M334 WeakPolarHBondContact OD1-CE 3.25Å; D331-F335 VanDerWaalsContact O-CB 3.26Å; D331-F335 WeakPolarHBondContact O-CB 3.48Å; D331-F335 PolarHBondContact O-N 3.39Å |
| 332 | K | 87.9 | Confident | 74.2 | Confident | 163 Ų | 163 | 66.9 Ų | 66.9 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 175.4 | -65.8 | -176.2 | -178 | -178.4 | 0 | 111.2 | G330 F335 A336 | G330-K332 VanDerWaalsContact C-N 3.32Å; G330-K332 PolarHBondContact O-N 3Å; K332-F335 PolarHBondContact O-N 3.5Å; K332-A336 WeakPolarHBondContact O-CB 3.43Å; K332-A336 PolarHBondContact O-N 3.41Å |
| 333 | L | 90.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -53.1 | 178.7 | 176.4 | 66 | 0 | 0 | 0 | 111.5 | M75 L79 G330 F335 A336 V337 Y388 N392 | M75-L333 HydrophobicContact CE-CD2 3.8Å; M75-L333 HydrophobicContact SD-CD2 4.21Å; L79-L333 HydrophobicContact CD1-CD2 3.48Å; L79-L333 VanDerWaalsContact CD1-CD2 3.48Å; L79-L333 HydrophobicContact CD1-CG 4.16Å; G330-L333 WeakPolarHBondContact O-CB 3.43Å; G330-L333 PolarHBondContact O-N 2.89Å; G330-L333 VanDerWaalsContact O-N 3.14Å; L333-F335 PolarHBondContact O-N 3.21Å; L333-A336 PolarHBondContact O-N 2.9Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.49Å; L333-V337 VanDerWaalsContact O-N 3.08Å; L333-Y388 HydrophobicContact CD1-CD1 3.61Å; L333-Y388 HydrophobicContact CD1-CE1 4.43Å; L333-Y388 HydrophobicContact CD1-CG 4.35Å; L333-N392 HydrophobicContact CD1-CB 4.43Å; L333-N392 HydrophobicContact CD2-CB 4.1Å |
| 334 | M | 90.6 | Very high | 78.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 179.6 | -62.8 | -175.7 | -72.2 | 0 | 0 | 111.6 | M75 L164 Y167 R168 G330 D331 C338 | M75-M334 HydrophobicContact CB-SD 4.3Å; M75-M334 HydrophobicContact CG-CG 3.73Å; M75-M334 HydrophobicContact CG-SD 3.74Å; M75-M334 HydrophobicContact SD-CE 4.24Å; M75-M334 HydrophobicContact SD-CG 3.46Å; M75-M334 WeakPolarHBondContact SD-CG 3.14Å; M75-M334 HydrophobicContact SD-SD 3.8Å; L164-M334 HydrophobicContact CD1-CG 3.94Å; L164-M334 HydrophobicContact CD1-SD 4.16Å; L164-M334 HydrophobicContact CD2-CB 4.48Å; L164-M334 HydrophobicContact CG-CB 4.38Å; L164-M334 HydrophobicContact CG-CG 4.29Å; Y167-M334 HydrophobicContact CD1-SD 3.85Å; Y167-M334 HydrophobicContact CE1-SD 3.89Å; R168-M334 HydrophobicContact CB-CE 4.34Å; R168-M334 HydrophobicContact CB-SD 4.21Å; R168-M334 HydrophobicContact CG-CE 4.11Å; G330-M334 WeakPolarHBondContact O-CG 3.25Å; G330-M334 PolarHBondContact O-N 3.38Å; D331-M334 WeakPolarHBondContact OD1-CE 3.25Å; M334-C338 PolarHBondContact O-N 3.48Å; M334-C338 VanDerWaalsContact O-N 3.12Å; M334-C338 PolarHBondContact O-SG 3.35Å |
| 335 | F | 91.2 | Very high | 81.1 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.6 | -172.5 | -132.5 | 0 | 0 | 0 | 112.7 | I262 D331 K332 L333 V337 C338 I339 | I262-F335 HydrophobicContact CD1-CE2 3.91Å; I262-F335 HydrophobicContact CD1-CZ 4.09Å; I262-F335 HydrophobicContact CG1-CE2 4.13Å; I262-F335 HydrophobicContact CG1-CZ 4.33Å; D331-F335 VanDerWaalsContact O-CB 3.26Å; D331-F335 WeakPolarHBondContact O-CB 3.48Å; D331-F335 PolarHBondContact O-N 3.39Å; K332-F335 PolarHBondContact O-N 3.5Å; L333-F335 PolarHBondContact O-N 3.21Å; F335-V337 VanDerWaalsContact C-N 3.35Å; F335-V337 PolarHBondContact O-N 2.99Å; F335-C338 PolarHBondContact O-N 3.04Å; F335-I339 HydrophobicContact CD1-CD1 3.6Å; F335-I339 HydrophobicContact CD2-CD1 3.84Å; F335-I339 HydrophobicContact CD2-CG1 4.12Å; F335-I339 HydrophobicContact CE1-CD1 3.26Å; F335-I339 HydrophobicContact CE1-CG1 4.43Å; F335-I339 HydrophobicContact CE2-CD1 3.57Å; F335-I339 HydrophobicContact CE2-CG1 3.91Å; F335-I339 HydrophobicContact CG-CD1 3.92Å; F335-I339 HydrophobicContact CZ-CD1 3.29Å; F335-I339 HydrophobicContact CZ-CG1 4.1Å; F335-I339 WeakPolarHBondContact O-CG1 3.05Å; F335-I339 PolarHBondContact O-N 3.48Å |
| 336 | A | 93.4 | Very high | 83.2 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K332 L333 C338 I339 T340 I387 S391 | K332-A336 WeakPolarHBondContact O-CB 3.43Å; K332-A336 PolarHBondContact O-N 3.41Å; L333-A336 PolarHBondContact O-N 2.9Å; A336-C338 PolarHBondContact O-N 2.91Å; A336-I339 PolarHBondContact O-N 3.01Å; A336-T340 PolarHBondContact O-N 3.45Å; A336-T340 PolarHBondContact O-OG1 3.34Å; A336-T340 VanDerWaalsContact O-OG1 3.12Å; A336-I387 HydrophobicContact CB-CG2 3.67Å; A336-S391 WeakPolarHBondContact CB-OG 3.44Å |
| 337 | V | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L82 L164 L333 F335 I339 T340 F341 I387 Y388 | L82-V337 HydrophobicContact CD2-CG1 4.39Å; L164-V337 HydrophobicContact CD2-CB 4Å; L164-V337 HydrophobicContact CD2-CG1 3.81Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.49Å; L333-V337 VanDerWaalsContact O-N 3.08Å; F335-V337 VanDerWaalsContact C-N 3.35Å; F335-V337 PolarHBondContact O-N 2.99Å; V337-I339 PolarHBondContact O-N 3.44Å; V337-T340 PolarHBondContact O-N 3.16Å; V337-F341 VanDerWaalsContact O-CB 3.23Å; V337-F341 WeakPolarHBondContact O-CB 3.45Å; V337-F341 PolarHBondContact O-N 2.76Å; V337-I387 HydrophobicContact CG2-CG2 4.03Å; V337-Y388 HydrophobicContact CG2-CD1 4.25Å; V337-Y388 HydrophobicContact CG2-CE1 3.66Å |
| 338 | C | 93.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | V254 M334 F335 A336 F342 | V254-C338 HydrophobicContact CG1-CB 3.96Å; M334-C338 PolarHBondContact O-N 3.48Å; M334-C338 VanDerWaalsContact O-N 3.12Å; M334-C338 PolarHBondContact O-SG 3.35Å; F335-C338 PolarHBondContact O-N 3.04Å; A336-C338 PolarHBondContact O-N 2.91Å; C338-F342 WeakPolarHBondContact O-CB 3.32Å; C338-F342 PolarHBondContact O-N 3.38Å |
| 339 | I | 93.5 | Very high | 89.5 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 33% | 0.333 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69 | -46.6 | 177.5 | -72.2 | 166 | 0 | 0 | 0 | 110.5 | F335 A336 V337 F341 F342 I343 | F335-I339 HydrophobicContact CD1-CD1 3.6Å; F335-I339 HydrophobicContact CD2-CD1 3.84Å; F335-I339 HydrophobicContact CD2-CG1 4.12Å; F335-I339 HydrophobicContact CE1-CD1 3.26Å; F335-I339 HydrophobicContact CE1-CG1 4.43Å; F335-I339 HydrophobicContact CE2-CD1 3.57Å; F335-I339 HydrophobicContact CE2-CG1 3.91Å; F335-I339 HydrophobicContact CG-CD1 3.92Å; F335-I339 HydrophobicContact CZ-CD1 3.29Å; F335-I339 HydrophobicContact CZ-CG1 4.1Å; F335-I339 WeakPolarHBondContact O-CG1 3.05Å; F335-I339 PolarHBondContact O-N 3.48Å; A336-I339 PolarHBondContact O-N 3.01Å; V337-I339 PolarHBondContact O-N 3.44Å; I339-F341 VanDerWaalsContact C-N 3.33Å; I339-F341 PolarHBondContact O-N 3.08Å; I339-F342 WeakPolarHBondContact O-CB 3.44Å; I339-F342 PolarHBondContact O-N 3.17Å; I339-F342 VanDerWaalsContact O-N 3.16Å; I339-I343 HydrophobicContact CG2-CD1 3.62Å; I339-I343 HydrophobicContact CG2-CG1 4.29Å; I339-I343 WeakPolarHBondContact O-CG1 3.31Å; I339-I343 PolarHBondContact O-N 2.91Å |
| 340 | T | 94.1 | Very high | 91.2 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | -179.7 | -57.6 | 0 | 0 | 0 | 0 | 111 | A336 V337 F342 I343 L344 I387 | A336-T340 PolarHBondContact O-N 3.45Å; A336-T340 PolarHBondContact O-OG1 3.34Å; A336-T340 VanDerWaalsContact O-OG1 3.12Å; V337-T340 PolarHBondContact O-N 3.16Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 3.4Å; T340-I343 PolarHBondContact O-N 3.49Å; T340-L344 HydrophobicContact CG2-CD1 3.49Å; T340-L344 VanDerWaalsContact CG2-CD1 3.49Å; T340-L344 HydrophobicContact CG2-CG 4.13Å; T340-L344 WeakPolarHBondContact O-CB 3.47Å; T340-L344 WeakPolarHBondContact O-CG 3.41Å; T340-L344 PolarHBondContact O-N 3.36Å; T340-I387 HydrophobicContact CG2-CD1 3.59Å; T340-I387 WeakPolarHBondContact OG1-CD1 3.36Å |
| 341 | F | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -51.2 | -52.7 | 169.2 | 173.5 | -91.1 | 0 | 0 | 0 | 111.5 | R157 N158 V161 P250 V251 V254 V337 I339 I343 L344 E345 D380 | R157-F341 VanDerWaalsContact NH1-CD2 3.3Å; N158-F341 HydrophobicContact CB-CE2 4.01Å; N158-F341 HydrophobicContact CB-CZ 4.19Å; N158-F341 WeakPolarHBondContact OD1-CE2 3.44Å; V161-F341 HydrophobicContact CB-CD2 3.86Å; V161-F341 HydrophobicContact CB-CE2 4.13Å; V161-F341 HydrophobicContact CB-CG 4.22Å; V161-F341 HydrophobicContact CG1-CB 3.88Å; V161-F341 HydrophobicContact CG1-CD1 4.08Å; V161-F341 HydrophobicContact CG1-CD2 3.82Å; V161-F341 HydrophobicContact CG1-CE2 4.43Å; V161-F341 HydrophobicContact CG1-CG 3.65Å; V161-F341 HydrophobicContact CG2-CD2 3.77Å; V161-F341 HydrophobicContact CG2-CE2 4.26Å; V161-F341 HydrophobicContact CG2-CG 4.39Å; P250-F341 HydrophobicContact CB-CZ 3.91Å; V251-F341 HydrophobicContact CG2-CE1 4.12Å; V251-F341 HydrophobicContact CG2-CZ 4.39Å; V254-F341 HydrophobicContact CB-CD1 4.13Å; V254-F341 HydrophobicContact CB-CE1 4.1Å; V254-F341 HydrophobicContact CG1-CD1 4.02Å; V254-F341 HydrophobicContact CG2-CD1 3.97Å; V254-F341 HydrophobicContact CG2-CE1 3.79Å; V337-F341 VanDerWaalsContact O-CB 3.23Å; V337-F341 WeakPolarHBondContact O-CB 3.45Å; V337-F341 PolarHBondContact O-N 2.76Å; I339-F341 VanDerWaalsContact C-N 3.33Å; I339-F341 PolarHBondContact O-N 3.08Å; F341-I343 PolarHBondContact O-N 3.17Å; F341-L344 PolarHBondContact O-N 2.92Å; F341-E345 HydrophobicContact CD2-CG 3.89Å; F341-E345 HydrophobicContact CE2-CG 3.67Å; F341-E345 HydrophobicContact CG-CG 4.39Å; F341-E345 HydrophobicContact CZ-CB 4.4Å; F341-E345 HydrophobicContact CZ-CG 4.02Å; F341-E345 WeakPolarHBondContact O-CB 3.41Å; F341-E345 WeakPolarHBondContact O-CG 3.37Å; F341-E345 PolarHBondContact O-N 3.39Å; F341-D380 WeakPolarHBondContact CA-OD2 3.46Å |
| 342 | F | 93.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 39% | 0.386 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.7 | -48.3 | -179.5 | 173.1 | -107.3 | 0 | 0 | 0 | 111.8 | V251 C255 C338 I339 T340 L344 T346 | V251-F342 HydrophobicContact CG1-CD2 4.18Å; V251-F342 HydrophobicContact CG1-CE2 4.33Å; C255-F342 WeakPolarHBondContact SG-CD2 3.45Å; C255-F342 WeakPolarHBondContact SG-CE2 3.45Å; C338-F342 WeakPolarHBondContact O-CB 3.32Å; C338-F342 PolarHBondContact O-N 3.38Å; I339-F342 WeakPolarHBondContact O-CB 3.44Å; I339-F342 PolarHBondContact O-N 3.17Å; I339-F342 VanDerWaalsContact O-N 3.16Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 3.4Å; F342-L344 PolarHBondContact O-N 2.94Å; F342-T346 WeakPolarHBondContact CE2-OG1 3.48Å; F342-T346 WeakPolarHBondContact O-CB 3.36Å; F342-T346 PolarHBondContact O-N 3.31Å; F342-T346 VanDerWaalsContact O-N 3.14Å; F342-T346 PolarHBondContact O-OG1 2.95Å |
| 343 | I | 94.9 | Very high | 92.8 | Very high | 102 Ų | 102 | 36 Ų | 36 | 52% | 0.523 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.1 | -43.3 | -177.3 | -67.2 | 170 | 0 | 0 | 0 | 111.4 | I339 T340 F341 P347 | I339-I343 HydrophobicContact CG2-CD1 3.62Å; I339-I343 HydrophobicContact CG2-CG1 4.29Å; I339-I343 WeakPolarHBondContact O-CG1 3.31Å; I339-I343 PolarHBondContact O-N 2.91Å; T340-I343 PolarHBondContact O-N 3.49Å; F341-I343 PolarHBondContact O-N 3.17Å; I343-P347 VanDerWaalsContact O-CD 3.32Å; I343-P347 WeakPolarHBondContact O-CD 3.43Å |
| 344 | L | 95.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.5 | -25.3 | -172.3 | -63.6 | 178.2 | 0 | 0 | 0 | 113.8 | T340 F341 F342 L376 D380 L383 | T340-L344 HydrophobicContact CG2-CD1 3.49Å; T340-L344 VanDerWaalsContact CG2-CD1 3.49Å; T340-L344 HydrophobicContact CG2-CG 4.13Å; T340-L344 WeakPolarHBondContact O-CB 3.47Å; T340-L344 WeakPolarHBondContact O-CG 3.41Å; T340-L344 PolarHBondContact O-N 3.36Å; F341-L344 PolarHBondContact O-N 2.92Å; F342-L344 PolarHBondContact O-N 2.94Å; L344-L376 HydrophobicContact CD2-CB 4.38Å; L344-L376 HydrophobicContact CD2-CD2 3.81Å; L344-L376 WeakPolarHBondContact O-CB 3.12Å; L344-D380 HydrophobicContact CB-CB 3.75Å; L344-D380 VanDerWaalsContact CD1-CA 3.42Å; L344-D380 HydrophobicContact CD1-CB 3.51Å; L344-D380 HydrophobicContact CG-CB 4.27Å; L344-L383 HydrophobicContact CD1-CD1 4.37Å |
| 345 | E | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -87.7 | -21 | 175.1 | -73 | -78.7 | 178.7 | 0 | 0 | 113.5 | R157 N158 V251 F341 A348 F349 | R157-E345 IonicContact CZ-OE1 3.77Å; R157-E345 IonicContact NH1-OE1 3.57Å; R157-E345 PolarHBondContact NH1-OE1 3.07Å; N158-E345 PolarHBondContact ND2-OE1 3.37Å; N158-E345 PolarHBondContact OD1-OE1 3.23Å; N158-E345 VanDerWaalsContact OD1-OE1 3.1Å; V251-E345 HydrophobicContact CG2-CB 3.99Å; F341-E345 HydrophobicContact CD2-CG 3.89Å; F341-E345 HydrophobicContact CE2-CG 3.67Å; F341-E345 HydrophobicContact CG-CG 4.39Å; F341-E345 HydrophobicContact CZ-CB 4.4Å; F341-E345 HydrophobicContact CZ-CG 4.02Å; F341-E345 WeakPolarHBondContact O-CB 3.41Å; F341-E345 WeakPolarHBondContact O-CG 3.37Å; F341-E345 PolarHBondContact O-N 3.39Å; E345-A348 WeakPolarHBondContact O-CB 3.27Å; E345-A348 PolarHBondContact O-N 2.94Å; E345-A348 VanDerWaalsContact O-N 3.09Å; E345-F349 PolarHBondContact O-N 3.44Å |
| 346 | T | 92.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -40.4 | -179.4 | -71.5 | 0 | 0 | 0 | 0 | 113.4 | F342 A348 F349 F350 | F342-T346 WeakPolarHBondContact CE2-OG1 3.48Å; F342-T346 WeakPolarHBondContact O-CB 3.36Å; F342-T346 PolarHBondContact O-N 3.31Å; F342-T346 VanDerWaalsContact O-N 3.14Å; F342-T346 PolarHBondContact O-OG1 2.95Å; T346-A348 VanDerWaalsContact C-N 3.31Å; T346-A348 PolarHBondContact O-N 2.88Å; T346-F349 WeakPolarHBondContact O-CB 3.41Å; T346-F349 PolarHBondContact O-N 3.44Å; T346-F350 HydrophobicContact CG2-CD2 3.51Å; T346-F350 HydrophobicContact CG2-CE2 3.34Å; T346-F350 VanDerWaalsContact O-CD2 3.31Å; T346-F350 WeakPolarHBondContact O-CD2 3.27Å; T346-F350 PolarHBondContact O-N 2.88Å |
| 347 | P | 93.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.7 | -30.1 | 41.2 | 0 | 0 | 0 | 113.4 | I343 F350 S351 L376 | I343-P347 VanDerWaalsContact O-CD 3.32Å; I343-P347 WeakPolarHBondContact O-CD 3.43Å; P347-F350 PolarHBondContact O-N 3.31Å; P347-S351 VanDerWaalsContact O-CB 3.27Å; P347-S351 WeakPolarHBondContact O-CB 3.47Å; P347-S351 PolarHBondContact O-N 3.43Å; P347-L376 HydrophobicContact CB-CD1 3.87Å; P347-L376 HydrophobicContact CG-CD1 3.61Å |
| 348 | A | 92.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E345 T346 K352 A373 I377 | E345-A348 WeakPolarHBondContact O-CB 3.27Å; E345-A348 PolarHBondContact O-N 2.94Å; E345-A348 VanDerWaalsContact O-N 3.09Å; T346-A348 VanDerWaalsContact C-N 3.31Å; T346-A348 PolarHBondContact O-N 2.88Å; A348-K352 WeakPolarHBondContact O-CG 3.07Å; A348-K352 PolarHBondContact O-N 3.46Å; A348-A373 HydrophobicContact CB-CB 3.87Å; A348-I377 HydrophobicContact CB-CD1 3.59Å; A348-I377 HydrophobicContact CB-CG1 4.21Å |
| 349 | F | 92.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 173.2 | 172.7 | -95.8 | 0 | 0 | 0 | 111.6 | F243 S247 I252 E345 T346 K352 I353 | F243-F349 HydrophobicContact CE1-CE2 4.49Å; F243-F349 AromaticContact CE2-CD2 3.71Å; F243-F349 HydrophobicContact CE2-CD2 3.71Å; F243-F349 AromaticContact CE2-CE2 3.75Å; F243-F349 HydrophobicContact CE2-CE2 3.75Å; F243-F349 AromaticContact CZ-CD2 3.89Å; F243-F349 HydrophobicContact CZ-CD2 3.89Å; F243-F349 AromaticContact CZ-CE2 3.4Å; F243-F349 HydrophobicContact CZ-CE2 3.4Å; F243-F349 VanDerWaalsContact CZ-CE2 3.4Å; F243-F349 HydrophobicContact CZ-CZ 4.08Å; S247-F349 WeakPolarHBondContact OG-CA 3.47Å; S247-F349 WeakPolarHBondContact OG-CB 3.45Å; S247-F349 PolarHBondContact OG-N 3.21Å; I252-F349 HydrophobicContact CD1-CE2 4.5Å; E345-F349 PolarHBondContact O-N 3.44Å; T346-F349 WeakPolarHBondContact O-CB 3.41Å; T346-F349 PolarHBondContact O-N 3.44Å; F349-K352 PolarHBondContact O-N 3.01Å; F349-I353 HydrophobicContact CD1-CD1 3.76Å; F349-I353 HydrophobicContact CD2-CD1 4.36Å; F349-I353 HydrophobicContact CE1-CD1 3.25Å; F349-I353 HydrophobicContact CE2-CD1 3.94Å; F349-I353 HydrophobicContact CG-CD1 4.3Å; F349-I353 HydrophobicContact CZ-CD1 3.37Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 3.43Å |
| 350 | F | 92.7 | Very high | 91.1 | Very high | 109 Ų | 109 | 61.4 Ų | 61.4 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 179.8 | -74.5 | -64.8 | 0 | 0 | 0 | 113.1 | T346 P347 K352 I353 L354 | T346-F350 HydrophobicContact CG2-CD2 3.51Å; T346-F350 HydrophobicContact CG2-CE2 3.34Å; T346-F350 VanDerWaalsContact O-CD2 3.31Å; T346-F350 WeakPolarHBondContact O-CD2 3.27Å; T346-F350 PolarHBondContact O-N 2.88Å; P347-F350 PolarHBondContact O-N 3.31Å; F350-K352 PolarHBondContact O-N 2.86Å; F350-I353 PolarHBondContact O-N 2.99Å; F350-I353 VanDerWaalsContact O-N 3.16Å; F350-L354 WeakPolarHBondContact O-CB 3.15Å; F350-L354 VanDerWaalsContact O-CG 3.28Å; F350-L354 WeakPolarHBondContact O-CG 3.47Å; F350-L354 PolarHBondContact O-N 2.88Å |
| 351 | S | 91.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.1 | -42.3 | 175 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | P347 N355 S370 | P347-S351 VanDerWaalsContact O-CB 3.27Å; P347-S351 WeakPolarHBondContact O-CB 3.47Å; P347-S351 PolarHBondContact O-N 3.43Å; S351-N355 WeakPolarHBondContact O-CB 3.42Å; S351-N355 PolarHBondContact O-N 2.91Å; S351-S370 PolarHBondContact OG-N 2.8Å |
| 352 | K | 90 | Very high | 90.7 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 178.6 | -70.7 | -179.5 | 175.2 | -167.2 | 0 | 114 | F243 A348 F349 F350 L354 | F243-K352 HydrophobicContact CD2-CB 4Å; F243-K352 HydrophobicContact CD2-CD 4.48Å; A348-K352 WeakPolarHBondContact O-CG 3.07Å; A348-K352 PolarHBondContact O-N 3.46Å; F349-K352 PolarHBondContact O-N 3.01Å; F350-K352 PolarHBondContact O-N 2.86Å; K352-L354 VanDerWaalsContact C-N 3.34Å |
| 353 | I | 90 | Very high | 90.5 | Very high | 64 Ų | 64 | 71 Ų | 71 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 176 | -70.1 | 171.7 | 0 | 0 | 0 | 111 | F243 F349 F350 P356 | F243-I353 HydrophobicContact CD2-CG1 4.43Å; F243-I353 HydrophobicContact CE2-CD1 3.94Å; F243-I353 HydrophobicContact CE2-CG1 3.51Å; F243-I353 HydrophobicContact CZ-CD1 3.81Å; F243-I353 HydrophobicContact CZ-CG1 3.69Å; F349-I353 HydrophobicContact CD1-CD1 3.76Å; F349-I353 HydrophobicContact CD2-CD1 4.36Å; F349-I353 HydrophobicContact CE1-CD1 3.25Å; F349-I353 HydrophobicContact CE2-CD1 3.94Å; F349-I353 HydrophobicContact CG-CD1 4.3Å; F349-I353 HydrophobicContact CZ-CD1 3.37Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 3.43Å; F350-I353 PolarHBondContact O-N 2.99Å; F350-I353 VanDerWaalsContact O-N 3.16Å; I353-P356 WeakPolarHBondContact O-CD 3.27Å |
| 354 | L | 90.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 71.9 Ų | 71.9 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -82.2 | -21 | -177.8 | -66.6 | 171.9 | 0 | 0 | 0 | 112.8 | F350 K352 Y357 L358 | F350-L354 WeakPolarHBondContact O-CB 3.15Å; F350-L354 VanDerWaalsContact O-CG 3.28Å; F350-L354 WeakPolarHBondContact O-CG 3.47Å; F350-L354 PolarHBondContact O-N 2.88Å; K352-L354 VanDerWaalsContact C-N 3.34Å; L354-Y357 WeakPolarHBondContact O-CA 3.31Å; L354-Y357 WeakPolarHBondContact O-CB 3.28Å; L354-Y357 PolarHBondContact O-N 3.31Å; L354-L358 HydrophobicContact CB-CD1 3.7Å; L354-L358 HydrophobicContact CB-CG 4.1Å; L354-L358 HydrophobicContact CD1-CD1 4.42Å; L354-L358 PolarHBondContact O-N 3.47Å |
| 355 | N | 88.7 | Confident | 89.9 | Confident | 51 Ų | 51 | 75 Ų | 75 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -49.6 | -46.5 | -176.8 | 170.4 | -104.5 | 0 | 0 | 0 | 114.3 | S351 Y357 L358 E359 D366 | S351-N355 WeakPolarHBondContact O-CB 3.42Å; S351-N355 PolarHBondContact O-N 2.91Å; N355-Y357 PolarHBondContact O-N 3.09Å; N355-Y357 VanDerWaalsContact O-N 3.08Å; N355-L358 PolarHBondContact O-N 3.25Å; N355-E359 VanDerWaalsContact O-CB 3.24Å; N355-E359 WeakPolarHBondContact O-CB 3.31Å; N355-E359 PolarHBondContact O-N 2.71Å; N355-D366 WeakPolarHBondContact CA-OD1 3.25Å; N355-D366 PolarHBondContact ND2-OD1 2.99Å; N355-D366 VanDerWaalsContact ND2-OD1 3.09Å; N355-D366 PolarHBondContact ND2-OD2 2.95Å |
| 356 | P | 85.2 | Confident | 89.6 | Confident | 88 Ų | 88 | 76 Ų | 76 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.7 | -23.1 | 177.5 | -24.3 | 34.8 | 0 | 0 | 0 | 114.9 | I353 | I353-P356 WeakPolarHBondContact O-CD 3.27Å |
| 357 | Y | 87.7 | Confident | 89.4 | Confident | 167 Ų | 167 | 77.3 Ų | 77.3 | 66% | 0.655 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -94.1 | -34.9 | 178.9 | -56.5 | -84.2 | 0 | 0 | 0 | 111.9 | L354 N355 | L354-Y357 WeakPolarHBondContact O-CA 3.31Å; L354-Y357 WeakPolarHBondContact O-CB 3.28Å; L354-Y357 PolarHBondContact O-N 3.31Å; N355-Y357 PolarHBondContact O-N 3.09Å; N355-Y357 VanDerWaalsContact O-N 3.08Å |
| 358 | L | 88.3 | Confident | 89.2 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -89 | -29.2 | -174.8 | -63.3 | -180 | 0 | 0 | 0 | 113.4 | L354 N355 Q360 Y362 I365 D366 L369 | L354-L358 HydrophobicContact CB-CD1 3.7Å; L354-L358 HydrophobicContact CB-CG 4.1Å; L354-L358 HydrophobicContact CD1-CD1 4.42Å; L354-L358 PolarHBondContact O-N 3.47Å; N355-L358 PolarHBondContact O-N 3.25Å; L358-Q360 VanDerWaalsContact C-N 3.29Å; L358-Q360 PolarHBondContact O-N 3.39Å; L358-Y362 HydrophobicContact CD2-CD2 3.99Å; L358-Y362 CarbonylContact O-C 3.58Å; L358-Y362 VanDerWaalsContact O-CA 3.24Å; L358-Y362 WeakPolarHBondContact O-CA 3.4Å; L358-Y362 PolarHBondContact O-N 2.89Å; L358-I365 HydrophobicContact CD1-CG2 4.31Å; L358-D366 HydrophobicContact CB-CB 3.86Å; L358-L369 HydrophobicContact CD1-CD1 3.55Å |
| 359 | E | 85.1 | Confident | 89.1 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 56% | 0.556 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | -176.2 | -176.6 | 176.2 | -168.8 | 0 | 0 | 112.1 | N355 | N355-E359 VanDerWaalsContact O-CB 3.24Å; N355-E359 WeakPolarHBondContact O-CB 3.31Å; N355-E359 PolarHBondContact O-N 2.71Å |
| 360 | Q | 85.2 | Confident | 89 | Confident | 167 Ų | 167 | 80.8 Ų | 80.8 | 78% | 0.78 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -80.1 | -46.9 | -178.1 | -175 | 173.3 | -13.8 | 0 | 0 | 112.7 | L358 | L358-Q360 VanDerWaalsContact C-N 3.29Å; L358-Q360 PolarHBondContact O-N 3.39Å |
| 361 | D | 89.7 | Confident | 88.9 | Confident | 108 Ų | 108 | 76.4 Ų | 76.4 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -93.6 | -28.2 | -170.8 | -63.9 | -30.2 | 0 | 0 | 0 | 113 | ||
| 362 | Y | 91.6 | Very high | 88.9 | Confident | 133 Ų | 133 | 80 Ų | 80 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | trans | -141.4 | 57.4 | -170.8 | -58.1 | -73.1 | 0 | 0 | 0 | 113.3 | L358 L364 I365 D366 | L358-Y362 HydrophobicContact CD2-CD2 3.99Å; L358-Y362 CarbonylContact O-C 3.58Å; L358-Y362 VanDerWaalsContact O-CA 3.24Å; L358-Y362 WeakPolarHBondContact O-CA 3.4Å; L358-Y362 PolarHBondContact O-N 2.89Å; Y362-L364 VanDerWaalsContact C-N 3.28Å; Y362-L364 PolarHBondContact O-N 2.94Å; Y362-L364 VanDerWaalsContact O-N 3.14Å; Y362-I365 HydrophobicContact CD1-CD1 4.1Å; Y362-I365 HydrophobicContact CG-CD1 4.24Å; Y362-I365 WeakPolarHBondContact O-CB 3.28Å; Y362-I365 PolarHBondContact O-N 3.27Å; Y362-D366 PolarHBondContact O-N 3.21Å; Y362-D366 VanDerWaalsContact O-N 3.09Å | ||
| 363 | P | 88 | Confident | 89 | Confident | 81 Ų | 81 | 77 Ų | 77 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -33.4 | -170.6 | 22.4 | -34.5 | 0 | 0 | 0 | 113.9 | I365 D366 L367 | P363-I365 VanDerWaalsContact C-N 3.35Å; P363-D366 PolarHBondContact O-N 3.34Å; P363-L367 WeakPolarHBondContact O-CB 3.21Å; P363-L367 PolarHBondContact O-N 3.41Å |
| 364 | L | 87.9 | Confident | 89.1 | Confident | 120 Ų | 120 | 76.4 Ų | 76.4 | 63% | 0.628 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.4 | -35.1 | 177.2 | -173.7 | 64.2 | 0 | 0 | 0 | 112.2 | Y362 T368 | Y362-L364 VanDerWaalsContact C-N 3.28Å; Y362-L364 PolarHBondContact O-N 2.94Å; Y362-L364 VanDerWaalsContact O-N 3.14Å; L364-T368 WeakPolarHBondContact O-CB 3.26Å; L364-T368 PolarHBondContact O-N 3.33Å; L364-T368 PolarHBondContact O-OG1 3.46Å |
| 365 | I | 90.2 | Very high | 89.2 | Confident | 89 Ų | 89 | 74.9 Ų | 74.9 | 46% | 0.456 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.1 | -44.6 | 177.5 | -65.4 | 174.3 | 0 | 0 | 0 | 109.4 | L358 Y362 P363 L367 T368 L369 | L358-I365 HydrophobicContact CD1-CG2 4.31Å; Y362-I365 HydrophobicContact CD1-CD1 4.1Å; Y362-I365 HydrophobicContact CG-CD1 4.24Å; Y362-I365 WeakPolarHBondContact O-CB 3.28Å; Y362-I365 PolarHBondContact O-N 3.27Å; P363-I365 VanDerWaalsContact C-N 3.35Å; I365-L367 PolarHBondContact O-N 2.91Å; I365-T368 PolarHBondContact O-N 3.45Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 HydrophobicContact CG2-CG 4.33Å; I365-L369 WeakPolarHBondContact O-CB 3.45Å; I365-L369 WeakPolarHBondContact O-CG 3.3Å; I365-L369 PolarHBondContact O-N 3.45Å |
| 366 | D | 89.3 | Confident | 89.6 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 11% | 0.107 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 175.2 | -177.2 | 73.8 | 0 | 0 | 0 | 112 | N355 L358 Y362 P363 T368 L369 S370 | N355-D366 WeakPolarHBondContact CA-OD1 3.25Å; N355-D366 PolarHBondContact ND2-OD1 2.99Å; N355-D366 VanDerWaalsContact ND2-OD1 3.09Å; N355-D366 PolarHBondContact ND2-OD2 2.95Å; L358-D366 HydrophobicContact CB-CB 3.86Å; Y362-D366 PolarHBondContact O-N 3.21Å; Y362-D366 VanDerWaalsContact O-N 3.09Å; P363-D366 PolarHBondContact O-N 3.34Å; D366-T368 PolarHBondContact O-N 2.97Å; D366-L369 PolarHBondContact O-N 3.44Å; D366-S370 WeakPolarHBondContact O-CB 3.25Å; D366-S370 PolarHBondContact O-N 3.48Å; D366-S370 PolarHBondContact O-OG 3.26Å |
| 367 | L | 88.2 | Confident | 90 | Very high | 51 Ų | 51 | 70.4 Ų | 70.4 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 175.9 | 178.9 | 63 | 0 | 0 | 0 | 111.6 | V36 L39 P363 I365 S370 V371 | V36-L367 HydrophobicContact CG1-CD2 3.83Å; L39-L367 HydrophobicContact CD1-CD2 4.39Å; L39-L367 HydrophobicContact CD1-CG 4.32Å; L39-L367 HydrophobicContact CD2-CG 4.43Å; P363-L367 WeakPolarHBondContact O-CB 3.21Å; P363-L367 PolarHBondContact O-N 3.41Å; I365-L367 PolarHBondContact O-N 2.91Å; L367-S370 PolarHBondContact O-N 3.03Å; L367-V371 HydrophobicContact CD1-CG2 4.27Å; L367-V371 WeakPolarHBondContact O-CB 3.28Å; L367-V371 WeakPolarHBondContact O-CG2 3.35Å; L367-V371 PolarHBondContact O-N 3Å |
| 368 | T | 88.4 | Confident | 90.3 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -179.1 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L364 I365 D366 V371 I372 | L364-T368 WeakPolarHBondContact O-CB 3.26Å; L364-T368 PolarHBondContact O-N 3.33Å; L364-T368 PolarHBondContact O-OG1 3.46Å; I365-T368 PolarHBondContact O-N 3.45Å; D366-T368 PolarHBondContact O-N 2.97Å; T368-V371 PolarHBondContact O-N 2.82Å; T368-I372 HydrophobicContact CG2-CD1 3.85Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.39Å; T368-I372 PolarHBondContact O-N 3.07Å |
| 369 | L | 90.6 | Very high | 90.5 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.7 | -75.8 | 174.1 | 0 | 0 | 0 | 111.6 | L358 I365 D366 V371 I372 A373 | L358-L369 HydrophobicContact CD1-CD1 3.55Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 HydrophobicContact CG2-CG 4.33Å; I365-L369 WeakPolarHBondContact O-CB 3.45Å; I365-L369 WeakPolarHBondContact O-CG 3.3Å; I365-L369 PolarHBondContact O-N 3.45Å; D366-L369 PolarHBondContact O-N 3.44Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 2.75Å; L369-I372 PolarHBondContact O-N 3.39Å; L369-A373 WeakPolarHBondContact O-CB 3.47Å; L369-A373 PolarHBondContact O-N 3Å |
| 370 | S | 90 | Very high | 90.9 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.6 | -69 | 0 | 0 | 0 | 0 | 112.1 | S351 D366 L367 N374 | S351-S370 PolarHBondContact OG-N 2.8Å; D366-S370 WeakPolarHBondContact O-CB 3.25Å; D366-S370 PolarHBondContact O-N 3.48Å; D366-S370 PolarHBondContact O-OG 3.26Å; L367-S370 PolarHBondContact O-N 3.03Å; S370-N374 WeakPolarHBondContact O-CB 3.48Å; S370-N374 PolarHBondContact O-N 2.81Å; S370-N374 PolarHBondContact O-ND2 2.69Å; S370-N374 VanDerWaalsContact O-ND2 3.13Å |
| 371 | V | 90.1 | Very high | 91.4 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.1 | -45.1 | 179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L39 Y43 L367 T368 L369 N374 L375 | L39-V371 HydrophobicContact CD1-CG2 4.17Å; L39-V371 HydrophobicContact CD2-CB 4.28Å; L39-V371 HydrophobicContact CD2-CG1 4.17Å; L39-V371 HydrophobicContact CD2-CG2 3.33Å; L39-V371 HydrophobicContact CG-CG1 4.41Å; L39-V371 HydrophobicContact CG-CG2 4.18Å; Y43-V371 HydrophobicContact CD2-CG1 4.25Å; L367-V371 HydrophobicContact CD1-CG2 4.27Å; L367-V371 WeakPolarHBondContact O-CB 3.28Å; L367-V371 WeakPolarHBondContact O-CG2 3.35Å; L367-V371 PolarHBondContact O-N 3Å; T368-V371 PolarHBondContact O-N 2.82Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 2.75Å; V371-N374 PolarHBondContact O-N 3.39Å; V371-L375 WeakPolarHBondContact O-CB 3.48Å; V371-L375 PolarHBondContact O-N 2.96Å |
| 372 | I | 91.6 | Very high | 91.6 | Very high | 83 Ų | 83 | 46 Ų | 46 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.7 | -67.9 | 168.7 | 0 | 0 | 0 | 110.3 | T368 L369 N374 L375 L376 | T368-I372 HydrophobicContact CG2-CD1 3.85Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.39Å; T368-I372 PolarHBondContact O-N 3.07Å; L369-I372 PolarHBondContact O-N 3.39Å; I372-N374 PolarHBondContact O-N 2.89Å; I372-L375 WeakPolarHBondContact O-CB 3.3Å; I372-L375 PolarHBondContact O-N 3.24Å; I372-L376 HydrophobicContact CG2-CD1 4.1Å; I372-L376 HydrophobicContact CG2-CG 4.5Å; I372-L376 WeakPolarHBondContact O-CG 3.14Å; I372-L376 PolarHBondContact O-N 3.08Å |
| 373 | A | 93.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A348 L369 L375 L376 I377 | A348-A373 HydrophobicContact CB-CB 3.87Å; L369-A373 WeakPolarHBondContact O-CB 3.47Å; L369-A373 PolarHBondContact O-N 3Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 2.76Å; A373-L376 PolarHBondContact O-N 3.02Å; A373-I377 WeakPolarHBondContact O-CD1 3.18Å; A373-I377 VanDerWaalsContact O-CG1 3.31Å; A373-I377 WeakPolarHBondContact O-CG1 3.48Å; A373-I377 PolarHBondContact O-N 3.49Å |
| 374 | N | 92 | Very high | 91.8 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 177.2 | -72.6 | -28.3 | 0 | 0 | 0 | 111.9 | Y43 S370 V371 I372 L376 I377 Y378 | Y43-N374 HydrophobicContact CE2-CB 4.07Å; S370-N374 WeakPolarHBondContact O-CB 3.48Å; S370-N374 PolarHBondContact O-N 2.81Å; S370-N374 PolarHBondContact O-ND2 2.69Å; S370-N374 VanDerWaalsContact O-ND2 3.13Å; V371-N374 PolarHBondContact O-N 3.39Å; I372-N374 PolarHBondContact O-N 2.89Å; N374-L376 PolarHBondContact O-N 2.82Å; N374-I377 WeakPolarHBondContact O-CB 3.08Å; N374-I377 PolarHBondContact O-N 2.88Å; N374-Y378 HydrophobicContact CB-CE2 4.12Å; N374-Y378 WeakPolarHBondContact O-CD2 3.46Å; N374-Y378 WeakPolarHBondContact O-CE2 3.44Å; N374-Y378 PolarHBondContact O-N 2.95Å; N374-Y378 VanDerWaalsContact O-N 3.07Å |
| 375 | L | 92.4 | Very high | 92 | Very high | 41 Ų | 41 | 33.5 Ų | 33.5 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.3 | 179.5 | 58.9 | 0 | 0 | 0 | 111.8 | I46 L50 V371 I372 A373 I377 Y378 L379 | I46-L375 HydrophobicContact CD1-CD1 3.91Å; I46-L375 HydrophobicContact CD1-CD2 4.18Å; I46-L375 HydrophobicContact CG2-CD1 3.61Å; L50-L375 HydrophobicContact CD1-CD1 3.74Å; V371-L375 WeakPolarHBondContact O-CB 3.48Å; V371-L375 PolarHBondContact O-N 2.96Å; I372-L375 WeakPolarHBondContact O-CB 3.3Å; I372-L375 PolarHBondContact O-N 3.24Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 2.76Å; L375-I377 VanDerWaalsContact C-N 3.31Å; L375-I377 PolarHBondContact O-N 3.42Å; L375-Y378 PolarHBondContact O-N 3.18Å; L375-L379 HydrophobicContact CD1-CD1 4.34Å; L375-L379 HydrophobicContact CD1-CG 4.33Å; L375-L379 HydrophobicContact CG-CD1 4.04Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 WeakPolarHBondContact O-CG 3.15Å; L375-L379 PolarHBondContact O-N 3.11Å |
| 376 | L | 95.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 179.4 | -68.1 | 172.3 | 0 | 0 | 0 | 111.9 | L344 P347 I372 A373 N374 L379 D380 | L344-L376 HydrophobicContact CD2-CB 4.38Å; L344-L376 HydrophobicContact CD2-CD2 3.81Å; L344-L376 WeakPolarHBondContact O-CB 3.12Å; P347-L376 HydrophobicContact CB-CD1 3.87Å; P347-L376 HydrophobicContact CG-CD1 3.61Å; I372-L376 HydrophobicContact CG2-CD1 4.1Å; I372-L376 HydrophobicContact CG2-CG 4.5Å; I372-L376 WeakPolarHBondContact O-CG 3.14Å; I372-L376 PolarHBondContact O-N 3.08Å; A373-L376 PolarHBondContact O-N 3.02Å; N374-L376 PolarHBondContact O-N 2.82Å; L376-L379 HydrophobicContact CD2-CD1 4.38Å; L376-L379 PolarHBondContact O-N 3.26Å; L376-D380 WeakPolarHBondContact O-CB 3.45Å; L376-D380 PolarHBondContact O-N 3.39Å |
| 377 | I | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.5 | -66.6 | 158.1 | 0 | 0 | 0 | 111.1 | M89 Q154 A348 A373 N374 L375 D380 S381 | M89-I377 HydrophobicContact CE-CG2 3.66Å; Q154-I377 HydrophobicContact CG-CG2 4.11Å; A348-I377 HydrophobicContact CB-CD1 3.59Å; A348-I377 HydrophobicContact CB-CG1 4.21Å; A373-I377 WeakPolarHBondContact O-CD1 3.18Å; A373-I377 VanDerWaalsContact O-CG1 3.31Å; A373-I377 WeakPolarHBondContact O-CG1 3.48Å; A373-I377 PolarHBondContact O-N 3.49Å; N374-I377 WeakPolarHBondContact O-CB 3.08Å; N374-I377 PolarHBondContact O-N 2.88Å; L375-I377 VanDerWaalsContact C-N 3.31Å; L375-I377 PolarHBondContact O-N 3.42Å; I377-D380 WeakPolarHBondContact O-CB 3.44Å; I377-D380 PolarHBondContact O-N 2.98Å; I377-S381 PolarHBondContact O-N 3.39Å |
| 378 | Y | 93.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 176.9 | -57.7 | -41.9 | 0 | 0 | 0 | 112.3 | Y43 M89 L93 L150 N374 L375 D380 T382 | Y43-Y378 AromaticContact CE2-CE2 3.98Å; Y43-Y378 HydrophobicContact CE2-CE2 3.98Å; Y43-Y378 AromaticContact CZ-CE2 3.95Å; Y43-Y378 WeakPolarHBondContact OH-CE2 3.49Å; Y43-Y378 PolarHBondContact OH-OH 3.26Å; M89-Y378 HydrophobicContact CE-CD1 3.55Å; M89-Y378 HydrophobicContact CE-CE1 3.68Å; L93-Y378 HydrophobicContact CD1-CE1 4.13Å; L93-Y378 HydrophobicContact CD1-CE2 4.05Å; L93-Y378 HydrophobicContact CD2-CD1 3.85Å; L93-Y378 HydrophobicContact CD2-CD2 4.13Å; L93-Y378 HydrophobicContact CD2-CE1 4.15Å; L93-Y378 HydrophobicContact CD2-CE2 4.4Å; L93-Y378 HydrophobicContact CD2-CG 3.88Å; L150-Y378 HydrophobicContact CD1-CE1 4.12Å; L150-Y378 HydrophobicContact CD2-CE1 4.17Å; L150-Y378 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y378 HydrophobicContact CG-CE1 4.43Å; N374-Y378 HydrophobicContact CB-CE2 4.12Å; N374-Y378 WeakPolarHBondContact O-CD2 3.46Å; N374-Y378 WeakPolarHBondContact O-CE2 3.44Å; N374-Y378 PolarHBondContact O-N 2.95Å; N374-Y378 VanDerWaalsContact O-N 3.07Å; L375-Y378 PolarHBondContact O-N 3.18Å; Y378-D380 VanDerWaalsContact C-N 3.33Å; Y378-T382 WeakPolarHBondContact O-CB 3.42Å; Y378-T382 PolarHBondContact O-N 3.26Å; Y378-T382 PolarHBondContact O-OG1 3.15Å |
| 379 | L | 92.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.9 | -73.3 | 173 | 0 | 0 | 0 | 111.2 | L50 L375 L376 S381 T382 L383 | L50-L379 HydrophobicContact CD1-CD2 4.26Å; L50-L379 HydrophobicContact CD1-CG 4.5Å; L50-L379 HydrophobicContact CD2-CD2 4.18Å; L375-L379 HydrophobicContact CD1-CD1 4.34Å; L375-L379 HydrophobicContact CD1-CG 4.33Å; L375-L379 HydrophobicContact CG-CD1 4.04Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 WeakPolarHBondContact O-CG 3.15Å; L375-L379 PolarHBondContact O-N 3.11Å; L376-L379 HydrophobicContact CD2-CD1 4.38Å; L376-L379 PolarHBondContact O-N 3.26Å; L379-S381 PolarHBondContact O-N 3.27Å; L379-T382 PolarHBondContact O-N 3.32Å; L379-T382 VanDerWaalsContact O-N 3.13Å; L379-L383 HydrophobicContact CB-CD1 4.42Å; L379-L383 VanDerWaalsContact O-CB 3.24Å; L379-L383 WeakPolarHBondContact O-CB 3.24Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.39Å |
| 380 | D | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -50.7 | 177 | -165.7 | 7.7 | 0 | 0 | 0 | 111.6 | R157 F341 L344 L376 I377 Y378 T382 L383 N384 | R157-D380 IonicContact CZ-OD2 3.3Å; R157-D380 IonicContact NH1-OD2 3.17Å; R157-D380 PolarHBondContact NH1-OD2 3.31Å; R157-D380 IonicContact NH2-OD1 3.48Å; R157-D380 PolarHBondContact NH2-OD1 3.23Å; R157-D380 IonicContact NH2-OD2 3.36Å; R157-D380 PolarHBondContact NH2-OD2 3.38Å; F341-D380 WeakPolarHBondContact CA-OD2 3.46Å; L344-D380 HydrophobicContact CB-CB 3.75Å; L344-D380 VanDerWaalsContact CD1-CA 3.42Å; L344-D380 HydrophobicContact CD1-CB 3.51Å; L344-D380 HydrophobicContact CG-CB 4.27Å; L376-D380 WeakPolarHBondContact O-CB 3.45Å; L376-D380 PolarHBondContact O-N 3.39Å; I377-D380 WeakPolarHBondContact O-CB 3.44Å; I377-D380 PolarHBondContact O-N 2.98Å; Y378-D380 VanDerWaalsContact C-N 3.33Å; D380-T382 VanDerWaalsContact C-N 3.3Å; D380-T382 PolarHBondContact O-N 3Å; D380-L383 PolarHBondContact O-N 3.21Å; D380-N384 PolarHBondContact O-N 3.41Å |
| 381 | S | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 174 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | N54 N58 E86 I377 L379 | N54-S381 PolarHBondContact ND2-OG 3.16Å; N54-S381 PolarHBondContact OD1-O 3.16Å; N54-S381 PolarHBondContact OD1-OG 3.28Å; N58-S381 PolarHBondContact ND2-O 3.18Å; E86-S381 WeakPolarHBondContact CB-OG 3.48Å; E86-S381 WeakPolarHBondContact CG-OG 3.48Å; I377-S381 PolarHBondContact O-N 3.39Å; L379-S381 PolarHBondContact O-N 3.27Å |
| 382 | T | 93.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.6 | -37.8 | -177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | L53 N54 L57 Y378 L379 D380 N384 | L53-T382 HydrophobicContact CD2-CG2 3.88Å; L53-T382 HydrophobicContact CG-CG2 3.94Å; N54-T382 WeakPolarHBondContact OD1-CA 3.39Å; N54-T382 PolarHBondContact OD1-N 2.85Å; L57-T382 HydrophobicContact CD1-CG2 3.76Å; Y378-T382 WeakPolarHBondContact O-CB 3.42Å; Y378-T382 PolarHBondContact O-N 3.26Å; Y378-T382 PolarHBondContact O-OG1 3.15Å; L379-T382 PolarHBondContact O-N 3.32Å; L379-T382 VanDerWaalsContact O-N 3.13Å; D380-T382 VanDerWaalsContact C-N 3.3Å; D380-T382 PolarHBondContact O-N 3Å; T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.35Å |
| 383 | L | 92.2 | Very high | 92.8 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 37% | 0.366 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -76.6 | -16.5 | -174.1 | -71.7 | 174.5 | 0 | 0 | 0 | 113.2 | L344 L379 D380 A385 F386 I387 | L344-L383 HydrophobicContact CD1-CD1 4.37Å; L379-L383 HydrophobicContact CB-CD1 4.42Å; L379-L383 VanDerWaalsContact O-CB 3.24Å; L379-L383 WeakPolarHBondContact O-CB 3.24Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.39Å; D380-L383 PolarHBondContact O-N 3.21Å; L383-A385 VanDerWaalsContact C-N 3.28Å; L383-A385 PolarHBondContact O-N 3.47Å; L383-F386 HydrophobicContact CD2-CD2 4.06Å; L383-F386 WeakPolarHBondContact O-CA 3.45Å; L383-F386 WeakPolarHBondContact O-CB 3.18Å; L383-F386 PolarHBondContact O-N 2.91Å; L383-I387 WeakPolarHBondContact O-CG1 3.2Å; L383-I387 PolarHBondContact O-N 2.87Å |
| 384 | N | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.3 | -41.7 | 178.1 | -87.4 | -17.8 | 0 | 0 | 0 | 113.7 | E86 D380 T382 F386 I387 Y388 | E86-N384 PolarHBondContact OE1-ND2 2.89Å; E86-N384 PolarHBondContact OE2-ND2 3.46Å; D380-N384 PolarHBondContact O-N 3.41Å; T382-N384 VanDerWaalsContact C-N 3.3Å; T382-N384 PolarHBondContact O-N 3.35Å; N384-F386 VanDerWaalsContact C-N 3.28Å; N384-F386 PolarHBondContact O-N 2.84Å; N384-I387 WeakPolarHBondContact O-CB 3.08Å; N384-I387 PolarHBondContact O-N 2.84Å; N384-I387 VanDerWaalsContact O-N 3.14Å; N384-Y388 HydrophobicContact CB-CE1 4.2Å; N384-Y388 HydrophobicContact CB-CE2 4.14Å; N384-Y388 WeakPolarHBondContact O-CD1 3.35Å; N384-Y388 WeakPolarHBondContact O-CD2 3.27Å; N384-Y388 PolarHBondContact O-N 3.31Å |
| 385 | A | 92.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L57 C61 L383 Y388 M389 | L57-A385 HydrophobicContact CB-CB 3.94Å; L57-A385 HydrophobicContact CD2-CB 4.22Å; L57-A385 HydrophobicContact CG-CB 4.48Å; C61-A385 VanDerWaalsContact SG-CB 3.55Å; L383-A385 VanDerWaalsContact C-N 3.28Å; L383-A385 PolarHBondContact O-N 3.47Å; A385-Y388 PolarHBondContact O-N 3.36Å; A385-M389 WeakPolarHBondContact O-CG 3.37Å; A385-M389 PolarHBondContact O-N 3.35Å |
| 386 | F | 94.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 35 Ų | 35 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 177 | -59.5 | -81.1 | 0 | 0 | 0 | 111.8 | L57 L383 N384 Y388 M389 A390 | L57-F386 HydrophobicContact CD1-CE2 3.65Å; L57-F386 HydrophobicContact CD1-CZ 4.18Å; L57-F386 HydrophobicContact CD2-CZ 4.48Å; L383-F386 HydrophobicContact CD2-CD2 4.06Å; L383-F386 WeakPolarHBondContact O-CA 3.45Å; L383-F386 WeakPolarHBondContact O-CB 3.18Å; L383-F386 PolarHBondContact O-N 2.91Å; N384-F386 VanDerWaalsContact C-N 3.28Å; N384-F386 PolarHBondContact O-N 2.84Å; F386-Y388 VanDerWaalsContact C-N 3.29Å; F386-Y388 PolarHBondContact O-N 2.92Å; F386-M389 HydrophobicContact CB-CE 4.48Å; F386-M389 HydrophobicContact CD1-CE 3.56Å; F386-M389 HydrophobicContact CE1-CE 4.02Å; F386-M389 HydrophobicContact CG-CE 4.14Å; F386-M389 PolarHBondContact O-N 2.85Å; F386-A390 WeakPolarHBondContact O-CB 3.18Å; F386-A390 PolarHBondContact O-N 2.89Å |
| 387 | I | 94.3 | Very high | 92.4 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.108 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 172.9 | -63.2 | 168.3 | 0 | 0 | 0 | 110.4 | A336 V337 T340 L383 N384 A390 S391 | A336-I387 HydrophobicContact CB-CG2 3.67Å; V337-I387 HydrophobicContact CG2-CG2 4.03Å; T340-I387 HydrophobicContact CG2-CD1 3.59Å; T340-I387 WeakPolarHBondContact OG1-CD1 3.36Å; L383-I387 WeakPolarHBondContact O-CG1 3.2Å; L383-I387 PolarHBondContact O-N 2.87Å; N384-I387 WeakPolarHBondContact O-CB 3.08Å; N384-I387 PolarHBondContact O-N 2.84Å; N384-I387 VanDerWaalsContact O-N 3.14Å; I387-A390 PolarHBondContact O-N 3.45Å; I387-S391 WeakPolarHBondContact O-CB 3.38Å; I387-S391 PolarHBondContact O-N 2.91Å; I387-S391 PolarHBondContact O-OG 2.8Å |
| 388 | Y | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 178.9 | -57.5 | -15.4 | 0 | 0 | 0 | 111.4 | C61 F65 L79 L333 V337 N384 A385 F386 N392 F395 | C61-Y388 HydrophobicContact CB-CD2 4.29Å; C61-Y388 HydrophobicContact CB-CE2 4.2Å; F65-Y388 AromaticContact CE2-CD2 3.9Å; F65-Y388 HydrophobicContact CE2-CD2 3.9Å; F65-Y388 AromaticContact CE2-CE2 3.75Å; F65-Y388 HydrophobicContact CE2-CE2 3.75Å; F65-Y388 AromaticContact CZ-CD2 3.83Å; F65-Y388 HydrophobicContact CZ-CD2 3.83Å; F65-Y388 AromaticContact CZ-CE2 3.99Å; F65-Y388 HydrophobicContact CZ-CE2 3.99Å; F65-Y388 HydrophobicContact CZ-CG 4.29Å; L79-Y388 HydrophobicContact CD2-CE1 4.03Å; L333-Y388 HydrophobicContact CD1-CD1 3.61Å; L333-Y388 HydrophobicContact CD1-CE1 4.43Å; L333-Y388 HydrophobicContact CD1-CG 4.35Å; V337-Y388 HydrophobicContact CG2-CD1 4.25Å; V337-Y388 HydrophobicContact CG2-CE1 3.66Å; N384-Y388 HydrophobicContact CB-CE1 4.2Å; N384-Y388 HydrophobicContact CB-CE2 4.14Å; N384-Y388 WeakPolarHBondContact O-CD1 3.35Å; N384-Y388 WeakPolarHBondContact O-CD2 3.27Å; N384-Y388 PolarHBondContact O-N 3.31Å; A385-Y388 PolarHBondContact O-N 3.36Å; F386-Y388 VanDerWaalsContact C-N 3.29Å; F386-Y388 PolarHBondContact O-N 2.92Å; Y388-N392 WeakPolarHBondContact O-CB 3.21Å; Y388-N392 PolarHBondContact O-N 3.47Å; Y388-N392 VanDerWaalsContact O-N 3.12Å; Y388-F395 HydrophobicContact CD2-CE2 4.1Å; Y388-F395 HydrophobicContact CD2-CZ 4.1Å; Y388-F395 HydrophobicContact CG-CE2 4.43Å; Y388-F395 HydrophobicContact CG-CZ 4.49Å |
| 389 | M | 92.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 30% | 0.296 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 174.4 | -70.9 | -173.3 | -73.5 | 0 | 0 | 112.4 | A385 F386 F395 R396 | A385-M389 WeakPolarHBondContact O-CG 3.37Å; A385-M389 PolarHBondContact O-N 3.35Å; F386-M389 HydrophobicContact CB-CE 4.48Å; F386-M389 HydrophobicContact CD1-CE 3.56Å; F386-M389 HydrophobicContact CE1-CE 4.02Å; F386-M389 HydrophobicContact CG-CE 4.14Å; F386-M389 PolarHBondContact O-N 2.85Å; M389-F395 HydrophobicContact CG-CD1 3.8Å; M389-F395 HydrophobicContact CG-CE1 3.71Å; M389-R396 HydrophobicContact CB-CG 4.3Å; M389-R396 WeakPolarHBondContact O-CD 3.46Å; M389-R396 WeakPolarHBondContact O-CG 3.44Å; M389-R396 PolarHBondContact O-NH1 3.4Å |
| 390 | A | 92 | Very high | 92.2 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 60% | 0.603 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.3 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F386 I387 R396 | F386-A390 WeakPolarHBondContact O-CB 3.18Å; F386-A390 PolarHBondContact O-N 2.89Å; I387-A390 PolarHBondContact O-N 3.45Å; A390-R396 PolarHBondContact O-NH1 3.22Å |
| 391 | S | 89.3 | Confident | 92.1 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -91.6 | -17.8 | -167.4 | -52.6 | 0 | 0 | 0 | 0 | 114.5 | A336 I387 | A336-S391 WeakPolarHBondContact CB-OG 3.44Å; I387-S391 WeakPolarHBondContact O-CB 3.38Å; I387-S391 PolarHBondContact O-N 2.91Å; I387-S391 PolarHBondContact O-OG 2.8Å |
| 392 | N | 89.6 | Confident | 91.9 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | trans | -130.3 | 112.9 | -174.1 | -163.8 | -65.5 | 0 | 0 | 0 | 114.1 | L333 Y388 L394 F395 R396 | L333-N392 HydrophobicContact CD1-CB 4.43Å; L333-N392 HydrophobicContact CD2-CB 4.1Å; Y388-N392 WeakPolarHBondContact O-CB 3.21Å; Y388-N392 PolarHBondContact O-N 3.47Å; Y388-N392 VanDerWaalsContact O-N 3.12Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 2.98Å; N392-L394 WeakPolarHBondContact OD1-CA 3.34Å; N392-L394 VanDerWaalsContact OD1-CB 3.3Å; N392-L394 WeakPolarHBondContact OD1-CB 3.31Å; N392-L394 PolarHBondContact OD1-N 2.85Å; N392-F395 HydrophobicContact CB-CB 3.93Å; N392-F395 WeakPolarHBondContact O-CB 3.38Å; N392-F395 PolarHBondContact O-N 2.93Å; N392-F395 PolarHBondContact OD1-N 3.41Å; N392-F395 VanDerWaalsContact OD1-N 3.12Å; N392-R396 PolarHBondContact O-N 3.35Å | ||
| 393 | P | 89.6 | Confident | 91.6 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 179.2 | -23 | 33.1 | 0 | 0 | 0 | 114.5 | F395 R396 K397 | P393-F395 VanDerWaalsContact C-N 3.34Å; P393-R396 PolarHBondContact O-N 3.48Å; P393-K397 WeakPolarHBondContact O-CB 3.28Å; P393-K397 PolarHBondContact O-N 3.33Å |
| 394 | L | 89.1 | Confident | 91.5 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 177.9 | 178.4 | 65.2 | 0 | 0 | 0 | 110.7 | W70 N392 K397 I398 | W70-L394 HydrophobicContact CD2-CD2 4.14Å; W70-L394 HydrophobicContact CE3-CD2 4.43Å; W70-L394 HydrophobicContact CH2-CD2 4.37Å; W70-L394 HydrophobicContact CZ2-CB 4.12Å; W70-L394 HydrophobicContact CZ2-CD2 3.97Å; W70-L394 HydrophobicContact CZ2-CG 4.03Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 2.98Å; N392-L394 WeakPolarHBondContact OD1-CA 3.34Å; N392-L394 VanDerWaalsContact OD1-CB 3.3Å; N392-L394 WeakPolarHBondContact OD1-CB 3.31Å; N392-L394 PolarHBondContact OD1-N 2.85Å; L394-K397 PolarHBondContact O-N 3.33Å; L394-I398 HydrophobicContact CD1-CD1 3.94Å; L394-I398 HydrophobicContact CD1-CG1 4.46Å; L394-I398 HydrophobicContact CG-CD1 3.98Å; L394-I398 WeakPolarHBondContact O-CG1 3.29Å; L394-I398 PolarHBondContact O-N 3.42Å; L394-I398 VanDerWaalsContact O-N 3.13Å |
| 395 | F | 90.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 175.1 | -167.2 | -86.3 | 0 | 0 | 0 | 110.8 | I64 F65 W70 Y388 M389 N392 P393 K397 I398 A399 | I64-F395 HydrophobicContact CB-CD2 4.44Å; I64-F395 HydrophobicContact CB-CE2 3.87Å; I64-F395 HydrophobicContact CB-CZ 4.11Å; I64-F395 HydrophobicContact CD1-CD1 4.4Å; I64-F395 HydrophobicContact CD1-CE1 3.64Å; I64-F395 HydrophobicContact CD1-CE2 4.1Å; I64-F395 HydrophobicContact CD1-CZ 3.46Å; I64-F395 VanDerWaalsContact CD1-CZ 3.46Å; I64-F395 HydrophobicContact CG1-CZ 4.4Å; I64-F395 HydrophobicContact CG2-CD2 3.55Å; I64-F395 HydrophobicContact CG2-CE2 3.47Å; I64-F395 VanDerWaalsContact CG2-CE2 3.47Å; I64-F395 HydrophobicContact CG2-CG 4.13Å; I64-F395 HydrophobicContact CG2-CZ 4.01Å; F65-F395 HydrophobicContact CD1-CE2 4.46Å; F65-F395 AromaticContact CE1-CD2 3.87Å; F65-F395 HydrophobicContact CE1-CD2 3.87Å; F65-F395 AromaticContact CE1-CE2 3.92Å; F65-F395 HydrophobicContact CE1-CE2 3.92Å; F65-F395 HydrophobicContact CE2-CE2 4.11Å; F65-F395 HydrophobicContact CZ-CD2 4.03Å; F65-F395 AromaticContact CZ-CE2 3.72Å; F65-F395 HydrophobicContact CZ-CE2 3.72Å; W70-F395 HydrophobicContact CZ2-CB 3.95Å; W70-F395 HydrophobicContact CZ2-CD2 4.3Å; Y388-F395 HydrophobicContact CD2-CE2 4.1Å; Y388-F395 HydrophobicContact CD2-CZ 4.1Å; Y388-F395 HydrophobicContact CG-CE2 4.43Å; Y388-F395 HydrophobicContact CG-CZ 4.49Å; M389-F395 HydrophobicContact CG-CD1 3.8Å; M389-F395 HydrophobicContact CG-CE1 3.71Å; N392-F395 HydrophobicContact CB-CB 3.93Å; N392-F395 WeakPolarHBondContact O-CB 3.38Å; N392-F395 PolarHBondContact O-N 2.93Å; N392-F395 PolarHBondContact OD1-N 3.41Å; N392-F395 VanDerWaalsContact OD1-N 3.12Å; P393-F395 VanDerWaalsContact C-N 3.34Å; F395-K397 PolarHBondContact O-N 3.08Å; F395-I398 PolarHBondContact O-N 3.48Å; F395-A399 WeakPolarHBondContact O-CB 3.17Å; F395-A399 PolarHBondContact O-N 3.22Å |
| 396 | R | 93.2 | Very high | 91 | Very high | 114 Ų | 114 | 66.3 Ų | 66.3 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.7 | -68.5 | -166.6 | -63.7 | -102.1 | 9.1 | 113.3 | M389 A390 N392 P393 A399 R400 | M389-R396 HydrophobicContact CB-CG 4.3Å; M389-R396 WeakPolarHBondContact O-CD 3.46Å; M389-R396 WeakPolarHBondContact O-CG 3.44Å; M389-R396 PolarHBondContact O-NH1 3.4Å; A390-R396 PolarHBondContact O-NH1 3.22Å; N392-R396 PolarHBondContact O-N 3.35Å; P393-R396 PolarHBondContact O-N 3.48Å; R396-A399 PolarHBondContact O-N 3.32Å; R396-R400 WeakPolarHBondContact O-CB 3.43Å; R396-R400 PolarHBondContact O-N 3.27Å |
| 397 | K | 92.9 | Very high | 90.7 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 55% | 0.548 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -51 | -179.7 | 179.5 | 177.2 | 172 | 178 | 0 | 110.4 | P393 L394 F395 R400 E401 | P393-K397 WeakPolarHBondContact O-CB 3.28Å; P393-K397 PolarHBondContact O-N 3.33Å; L394-K397 PolarHBondContact O-N 3.33Å; F395-K397 PolarHBondContact O-N 3.08Å; K397-R400 PolarHBondContact O-N 3.4Å; K397-E401 WeakPolarHBondContact CE-OE1 3.16Å; K397-E401 WeakPolarHBondContact CG-OE1 3.08Å; K397-E401 IonicContact NZ-OE1 3.58Å; K397-E401 WeakPolarHBondContact O-CG 3.23Å; K397-E401 PolarHBondContact O-N 2.85Å |
| 398 | I | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | -179.9 | -66.7 | 161.6 | 0 | 0 | 0 | 110.7 | I64 H67 W70 L394 F395 R400 E401 E402 | I64-I398 HydrophobicContact CG2-CB 4.29Å; I64-I398 HydrophobicContact CG2-CG2 3.97Å; H67-I398 HydrophobicContact CB-CD1 4.15Å; H67-I398 HydrophobicContact CB-CG2 3.98Å; W70-I398 VanDerWaalsContact CD1-CD1 3.47Å; W70-I398 VanDerWaalsContact NE1-CD1 3.32Å; L394-I398 HydrophobicContact CD1-CD1 3.94Å; L394-I398 HydrophobicContact CD1-CG1 4.46Å; L394-I398 HydrophobicContact CG-CD1 3.98Å; L394-I398 WeakPolarHBondContact O-CG1 3.29Å; L394-I398 PolarHBondContact O-N 3.42Å; L394-I398 VanDerWaalsContact O-N 3.13Å; F395-I398 PolarHBondContact O-N 3.48Å; I398-R400 VanDerWaalsContact C-N 3.26Å; I398-R400 PolarHBondContact O-N 2.88Å; I398-E401 PolarHBondContact O-N 3.48Å; I398-E402 HydrophobicContact CG2-CG 4.24Å; I398-E402 VanDerWaalsContact O-CG 3.3Å; I398-E402 WeakPolarHBondContact O-CG 3.04Å; I398-E402 PolarHBondContact O-N 3.44Å |
| 399 | A | 91.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I64 F395 R396 C403 | I64-A399 HydrophobicContact CD1-CB 3.76Å; F395-A399 WeakPolarHBondContact O-CB 3.17Å; F395-A399 PolarHBondContact O-N 3.22Å; R396-A399 PolarHBondContact O-N 3.32Å; A399-C403 WeakPolarHBondContact O-CB 3.37Å; A399-C403 PolarHBondContact O-N 3.04Å; A399-C403 PolarHBondContact O-SG 3.07Å |
| 400 | R | 92.5 | Very high | 89.6 | Confident | 186 Ų | 186 | 79.2 Ų | 79.2 | 70% | 0.702 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.2 | -171.4 | -176 | -172.1 | -162.4 | 3.2 | 112.1 | R396 K397 I398 C403 I404 | R396-R400 WeakPolarHBondContact O-CB 3.43Å; R396-R400 PolarHBondContact O-N 3.27Å; K397-R400 PolarHBondContact O-N 3.4Å; I398-R400 VanDerWaalsContact C-N 3.26Å; I398-R400 PolarHBondContact O-N 2.88Å; R400-C403 PolarHBondContact O-N 2.63Å; R400-I404 HydrophobicContact CG-CD1 3.94Å; R400-I404 VanDerWaalsContact O-CG1 3.26Å; R400-I404 WeakPolarHBondContact O-CG1 3.15Å; R400-I404 PolarHBondContact O-N 2.03Å |
| 401 | E | 92.3 | Very high | 89.1 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.4 | -73.8 | 168 | 178.6 | 0 | 0 | 111.4 | K397 I398 I404 Q405 | K397-E401 WeakPolarHBondContact CE-OE1 3.16Å; K397-E401 WeakPolarHBondContact CG-OE1 3.08Å; K397-E401 IonicContact NZ-OE1 3.58Å; K397-E401 WeakPolarHBondContact O-CG 3.23Å; K397-E401 PolarHBondContact O-N 2.85Å; I398-E401 PolarHBondContact O-N 3.48Å; E401-I404 PolarHBondContact O-N 3.33Å; E401-Q405 WeakPolarHBondContact O-CB 3.39Å; E401-Q405 PolarHBondContact O-N 3.04Å |
| 402 | E | 89.2 | Confident | 88.2 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.9 | -66.1 | -73.5 | 154.6 | 0 | 0 | 112 | H63 I398 I404 Q405 Y406 | H63-E402 IonicContact CD2-OE2 2.66Å; H63-E402 IonicContact CE1-OE2 3.79Å; H63-E402 IonicContact NE2-OE1 3.9Å; H63-E402 IonicContact NE2-OE2 2.81Å; H63-E402 PolarHBondContact NE2-OE2 3.23Å; I398-E402 HydrophobicContact CG2-CG 4.24Å; I398-E402 VanDerWaalsContact O-CG 3.3Å; I398-E402 WeakPolarHBondContact O-CG 3.04Å; I398-E402 PolarHBondContact O-N 3.44Å; E402-I404 PolarHBondContact O-N 2.86Å; E402-Q405 PolarHBondContact O-N 2.84Å; E402-Y406 WeakPolarHBondContact O-CB 3.16Å; E402-Y406 PolarHBondContact O-N 3.35Å |
| 403 | C | 89.3 | Confident | 86.8 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 175.2 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | A399 R400 Y406 R407 | A399-C403 WeakPolarHBondContact O-CB 3.37Å; A399-C403 PolarHBondContact O-N 3.04Å; A399-C403 PolarHBondContact O-SG 3.07Å; R400-C403 PolarHBondContact O-N 2.63Å; C403-Y406 PolarHBondContact O-N 3.04Å; C403-R407 WeakPolarHBondContact O-CB 3.4Å; C403-R407 PolarHBondContact O-N 2.89Å |
| 404 | I | 90 | Very high | 85.2 | Confident | 61 Ų | 61 | 91.7 Ų | 91.7 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 175.4 | -69.7 | 166.5 | 0 | 0 | 0 | 109.6 | R400 E401 E402 Y406 R407 D408 | R400-I404 HydrophobicContact CG-CD1 3.94Å; R400-I404 VanDerWaalsContact O-CG1 3.26Å; R400-I404 WeakPolarHBondContact O-CG1 3.15Å; R400-I404 PolarHBondContact O-N 2.03Å; E401-I404 PolarHBondContact O-N 3.33Å; E402-I404 PolarHBondContact O-N 2.86Å; I404-Y406 VanDerWaalsContact C-N 3.3Å; I404-Y406 PolarHBondContact O-N 3.23Å; I404-R407 WeakPolarHBondContact O-CB 3.09Å; I404-R407 PolarHBondContact O-N 3.49Å; I404-D408 WeakPolarHBondContact CG2-OD2 3.41Å; I404-D408 WeakPolarHBondContact O-CB 3.23Å; I404-D408 PolarHBondContact O-N 3.23Å |
| 405 | Q | 87.8 | Confident | 83.6 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 178.7 | -168.7 | -178.1 | 33.3 | 0 | 0 | 112.1 | E401 E402 R409 | E401-Q405 WeakPolarHBondContact O-CB 3.39Å; E401-Q405 PolarHBondContact O-N 3.04Å; E402-Q405 PolarHBondContact O-N 2.84Å; Q405-R409 VanDerWaalsContact NE2-NH2 3.11Å; Q405-R409 VanDerWaalsContact O-CG 3.31Å; Q405-R409 WeakPolarHBondContact O-CG 3.38Å; Q405-R409 PolarHBondContact O-N 3.07Å |
| 406 | Y | 86.3 | Confident | 81.8 | Confident | 158 Ų | 158 | 96 Ų | 96 | 62% | 0.62 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 176.8 | -170.9 | -100.6 | 0 | 0 | 0 | 112 | E402 C403 I404 D408 R409 L410 | E402-Y406 WeakPolarHBondContact O-CB 3.16Å; E402-Y406 PolarHBondContact O-N 3.35Å; C403-Y406 PolarHBondContact O-N 3.04Å; I404-Y406 VanDerWaalsContact C-N 3.3Å; I404-Y406 PolarHBondContact O-N 3.23Å; Y406-D408 PolarHBondContact O-N 3.38Å; Y406-R409 PolarHBondContact O-N 3.26Å; Y406-L410 HydrophobicContact CD1-CD1 3.72Å; Y406-L410 HydrophobicContact CD1-CG 4.36Å; Y406-L410 HydrophobicContact CE1-CD1 3.38Å; Y406-L410 HydrophobicContact CE1-CG 4.07Å; Y406-L410 WeakPolarHBondContact O-CG 3.46Å; Y406-L410 PolarHBondContact O-N 3.35Å |
| 407 | R | 87.9 | Confident | 79.8 | Confident | 138 Ų | 138 | 98.4 Ų | 98.4 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.8 | -175.9 | -166.9 | 67.7 | 179.7 | -0.2 | 111.4 | C403 I404 R409 L410 I411 | C403-R407 WeakPolarHBondContact O-CB 3.4Å; C403-R407 PolarHBondContact O-N 2.89Å; I404-R407 WeakPolarHBondContact O-CB 3.09Å; I404-R407 PolarHBondContact O-N 3.49Å; R407-R409 VanDerWaalsContact C-N 3.35Å; R407-R409 PolarHBondContact O-N 3.21Å; R407-L410 PolarHBondContact O-N 3.34Å; R407-I411 HydrophobicContact CG-CD1 3.97Å; R407-I411 WeakPolarHBondContact O-CG1 3.41Å; R407-I411 PolarHBondContact O-N 3.26Å |
| 408 | D | 87.9 | Confident | 77.8 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | -177.6 | -62.7 | -10 | 0 | 0 | 0 | 110.9 | I404 Y406 I411 C412 | I404-D408 WeakPolarHBondContact CG2-OD2 3.41Å; I404-D408 WeakPolarHBondContact O-CB 3.23Å; I404-D408 PolarHBondContact O-N 3.23Å; Y406-D408 PolarHBondContact O-N 3.38Å; D408-I411 PolarHBondContact O-N 3.13Å; D408-C412 WeakPolarHBondContact O-CB 3.34Å; D408-C412 PolarHBondContact O-N 2.96Å; D408-C412 PolarHBondContact O-SG 3.28Å; D408-C412 VanDerWaalsContact O-SG 3.41Å |
| 409 | R | 85.8 | Confident | 76 | Confident | 153 Ų | 153 | 102.3 Ų | 102.3 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 170.7 | -73.8 | 178.9 | -169 | -172.3 | 8.3 | 112.5 | Q405 Y406 R407 I411 C412 C413 | Q405-R409 VanDerWaalsContact NE2-NH2 3.11Å; Q405-R409 VanDerWaalsContact O-CG 3.31Å; Q405-R409 WeakPolarHBondContact O-CG 3.38Å; Q405-R409 PolarHBondContact O-N 3.07Å; Y406-R409 PolarHBondContact O-N 3.26Å; R407-R409 VanDerWaalsContact C-N 3.35Å; R407-R409 PolarHBondContact O-N 3.21Å; R409-I411 VanDerWaalsContact C-N 3.34Å; R409-I411 PolarHBondContact O-N 3.45Å; R409-C412 PolarHBondContact O-N 3.47Å; R409-C413 WeakPolarHBondContact O-CB 3.39Å; R409-C413 PolarHBondContact O-N 3.15Å; R409-C413 PolarHBondContact O-SG 2.75Å; R409-C413 VanDerWaalsContact O-SG 3.34Å |
| 410 | L | 82 | Confident | 74.2 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.4 | -75.7 | 171.9 | 0 | 0 | 0 | 112.5 | Y406 R407 K414 | Y406-L410 HydrophobicContact CD1-CD1 3.72Å; Y406-L410 HydrophobicContact CD1-CG 4.36Å; Y406-L410 HydrophobicContact CE1-CD1 3.38Å; Y406-L410 HydrophobicContact CE1-CG 4.07Å; Y406-L410 WeakPolarHBondContact O-CG 3.46Å; Y406-L410 PolarHBondContact O-N 3.35Å; R407-L410 PolarHBondContact O-N 3.34Å; L410-K414 PolarHBondContact O-N 3.26Å |
| 411 | I | 81.5 | Confident | 72.5 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -45.8 | 176.7 | -65.7 | 167.8 | 0 | 0 | 0 | 110.5 | R407 D408 R409 C413 K414 A415 | R407-I411 HydrophobicContact CG-CD1 3.97Å; R407-I411 WeakPolarHBondContact O-CG1 3.41Å; R407-I411 PolarHBondContact O-N 3.26Å; D408-I411 PolarHBondContact O-N 3.13Å; R409-I411 VanDerWaalsContact C-N 3.34Å; R409-I411 PolarHBondContact O-N 3.45Å; I411-C413 VanDerWaalsContact C-N 3.32Å; I411-C413 PolarHBondContact O-N 3.43Å; I411-K414 WeakPolarHBondContact O-CB 3.29Å; I411-K414 PolarHBondContact O-N 3.04Å; I411-A415 PolarHBondContact O-N 3.47Å |
| 412 | C | 71.1 | Confident | 70.9 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 176.3 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | D408 R409 K414 A415 S416 | D408-C412 WeakPolarHBondContact O-CB 3.34Å; D408-C412 PolarHBondContact O-N 2.96Å; D408-C412 PolarHBondContact O-SG 3.28Å; D408-C412 VanDerWaalsContact O-SG 3.41Å; R409-C412 PolarHBondContact O-N 3.47Å; C412-K414 VanDerWaalsContact C-N 3.29Å; C412-K414 PolarHBondContact O-N 3.02Å; C412-A415 PolarHBondContact O-N 3.24Å; C412-S416 PolarHBondContact O-N 3.5Å |
| 413 | C | 59.3 | Low | 69.3 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -27.2 | 173.3 | -72.6 | 0 | 0 | 0 | 0 | 113.4 | R409 I411 S416 | R409-C413 WeakPolarHBondContact O-CB 3.39Å; R409-C413 PolarHBondContact O-N 3.15Å; R409-C413 PolarHBondContact O-SG 2.75Å; R409-C413 VanDerWaalsContact O-SG 3.34Å; I411-C413 VanDerWaalsContact C-N 3.32Å; I411-C413 PolarHBondContact O-N 3.43Å; C413-S416 PolarHBondContact O-OG 3.2Å |
| 414 | K | 56.8 | Low | 67.8 | Low | 171 Ų | 171 | 111.9 Ų | 111.9 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.5 | -39.5 | 170.2 | -85.6 | -175.1 | 176.1 | -177.7 | 0 | 111.7 | L410 I411 C412 S416 K417 | L410-K414 PolarHBondContact O-N 3.26Å; I411-K414 WeakPolarHBondContact O-CB 3.29Å; I411-K414 PolarHBondContact O-N 3.04Å; C412-K414 VanDerWaalsContact C-N 3.29Å; C412-K414 PolarHBondContact O-N 3.02Å; K414-S416 VanDerWaalsContact C-N 3.26Å; K414-S416 PolarHBondContact O-N 3.1Å; K414-K417 PolarHBondContact O-N 3.33Å |
| 415 | A | 54.9 | Low | 66.4 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -23.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I411 C412 P418 | I411-A415 PolarHBondContact O-N 3.47Å; C412-A415 PolarHBondContact O-N 3.24Å; A415-P418 WeakPolarHBondContact O-CD 3.43Å |
| 416 | S | 52.6 | Low | 65 | Low | 84 Ų | 84 | 116 Ų | 116 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -8.9 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | C412 C413 K414 | C412-S416 PolarHBondContact O-N 3.5Å; C413-S416 PolarHBondContact O-OG 3.2Å; K414-S416 VanDerWaalsContact C-N 3.26Å; K414-S416 PolarHBondContact O-N 3.1Å |
| 417 | K | 51.1 | Low | 63.8 | Low | 165 Ų | 165 | 113.8 Ų | 113.8 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -86.3 | -11.7 | -178.8 | -87.8 | -170.7 | 175 | -174.1 | 0 | 118.3 | K414 N419 | K414-K417 PolarHBondContact O-N 3.33Å; K417-N419 PolarHBondContact O-N 2.98Å |
| 418 | P | 52 | Low | 62.5 | Low | 81 Ų | 81 | 112 Ų | 112 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.1 | -25.9 | 178.3 | -15.7 | 29.8 | 0 | 0 | 0 | 114.2 | A415 | A415-P418 WeakPolarHBondContact O-CD 3.43Å |
| 419 | N | 54.3 | Low | 61.3 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 68% | 0.684 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -87 | -10.6 | -168.4 | -82.2 | -7.7 | 0 | 0 | 0 | 115.6 | K417 R423 | K417-N419 PolarHBondContact O-N 2.98Å; N419-R423 WeakPolarHBondContact O-CB 3.35Å; N419-R423 PolarHBondContact O-N 2.64Å |
| 420 | Q | 53.7 | Low | 60 | Low | 150 Ų | 150 | 110.2 Ų | 110.2 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -83.3 | -38.3 | 175.2 | -78.7 | -166.7 | -17 | 0 | 0 | 112.7 | R423 I424 | Q420-R423 PolarHBondContact O-N 3.34Å; Q420-I424 WeakPolarHBondContact O-CG1 3.26Å; Q420-I424 PolarHBondContact O-N 2.95Å |
| 421 | I | 56.1 | Low | 58.8 | Low | 133 Ų | 133 | 112.1 Ų | 112.1 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -39.8 | 177.3 | -61.5 | 177.1 | 0 | 0 | 0 | 110.4 | R423 I424 S425 | I421-R423 VanDerWaalsContact C-N 3.26Å; I421-R423 PolarHBondContact O-N 3.08Å; I421-I424 PolarHBondContact O-N 2.78Å; I421-S425 PolarHBondContact O-N 3.39Å; I421-S425 PolarHBondContact O-OG 2.94Å |
| 422 | A | 58.8 | Low | 57.7 | Low | 38 Ų | 38 | 111.7 Ų | 111.7 | 31% | 0.314 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.3 | -23.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S425 R426 | A422-S425 PolarHBondContact O-OG 3.38Å; A422-R426 WeakPolarHBondContact O-CG 3.35Å; A422-R426 PolarHBondContact O-N 3.14Å |
| 423 | R | 55.9 | Low | 57 | Low | 193 Ų | 193 | 112.4 Ų | 112.4 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.8 | -37.9 | 173.6 | -130.5 | 177.8 | -167.4 | 175.6 | 3.5 | 111.8 | N419 Q420 I421 L427 | N419-R423 WeakPolarHBondContact O-CB 3.35Å; N419-R423 PolarHBondContact O-N 2.64Å; Q420-R423 PolarHBondContact O-N 3.34Å; I421-R423 VanDerWaalsContact C-N 3.26Å; I421-R423 PolarHBondContact O-N 3.08Å; R423-L427 WeakPolarHBondContact O-CG 3.5Å; R423-L427 PolarHBondContact O-N 3.46Å; R423-L427 VanDerWaalsContact O-N 3.1Å |
| 424 | I | 58.8 | Low | 56.8 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.5 | -39.8 | 177.7 | -66.2 | 168.9 | 0 | 0 | 0 | 110.5 | Q420 I421 R426 L427 L428 | Q420-I424 WeakPolarHBondContact O-CG1 3.26Å; Q420-I424 PolarHBondContact O-N 2.95Å; I421-I424 PolarHBondContact O-N 2.78Å; I424-R426 PolarHBondContact O-N 3.03Å; I424-L427 PolarHBondContact O-N 3.3Å; I424-L428 HydrophobicContact CG2-CD1 4.04Å; I424-L428 PolarHBondContact O-N 3.13Å |
| 425 | S | 59.7 | Low | 56.7 | Low | 53 Ų | 53 | 109.4 Ų | 109.4 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -42.2 | 175.5 | 67.5 | 0 | 0 | 0 | 0 | 112 | I421 A422 L427 L428 D429 | I421-S425 PolarHBondContact O-N 3.39Å; I421-S425 PolarHBondContact O-OG 2.94Å; A422-S425 PolarHBondContact O-OG 3.38Å; S425-L427 VanDerWaalsContact C-N 3.3Å; S425-L427 PolarHBondContact O-N 3.39Å; S425-L428 PolarHBondContact O-N 3.14Å; S425-D429 VanDerWaalsContact O-CG 3.32Å; S425-D429 PolarHBondContact O-N 3.3Å |
| 426 | R | 59.3 | Low | 56.7 | Low | 183 Ų | 183 | 109.3 Ų | 109.3 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -33 | 175 | -76 | -173.8 | -156.5 | 172.5 | 5.9 | 113.4 | A422 I424 T430 | A422-R426 WeakPolarHBondContact O-CG 3.35Å; A422-R426 PolarHBondContact O-N 3.14Å; I424-R426 PolarHBondContact O-N 3.03Å; R426-T430 PolarHBondContact O-N 3Å; R426-T430 VanDerWaalsContact O-N 3.13Å; R426-T430 PolarHBondContact O-OG1 3.46Å |
| 427 | L | 59.9 | Low | 56.8 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.9 | -40.2 | 176.6 | -77.5 | 166.9 | 0 | 0 | 0 | 111.5 | R423 I424 S425 T430 E431 | R423-L427 WeakPolarHBondContact O-CG 3.5Å; R423-L427 PolarHBondContact O-N 3.46Å; R423-L427 VanDerWaalsContact O-N 3.1Å; I424-L427 PolarHBondContact O-N 3.3Å; S425-L427 VanDerWaalsContact C-N 3.3Å; S425-L427 PolarHBondContact O-N 3.39Å; L427-T430 WeakPolarHBondContact CA-OG1 3.49Å; L427-T430 PolarHBondContact O-N 3.48Å; L427-T430 PolarHBondContact O-OG1 3.26Å; L427-E431 PolarHBondContact O-N 2.96Å; L427-E431 VanDerWaalsContact O-N 3.14Å |
| 428 | L | 61.7 | Low | 56.6 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 174.5 | -76.8 | 159.8 | 0 | 0 | 0 | 112.1 | I424 S425 T430 E431 T432 | I424-L428 HydrophobicContact CG2-CD1 4.04Å; I424-L428 PolarHBondContact O-N 3.13Å; S425-L428 PolarHBondContact O-N 3.14Å; L428-T430 VanDerWaalsContact C-N 3.28Å; L428-T430 PolarHBondContact O-N 3.28Å; L428-E431 PolarHBondContact O-N 3.25Å; L428-T432 PolarHBondContact O-N 2.97Å; L428-T432 VanDerWaalsContact O-N 3.14Å; L428-T432 PolarHBondContact O-OG1 3.38Å |
| 429 | D | 61.3 | Low | 56.2 | Low | 95 Ų | 95 | 115 Ų | 115 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.2 | -27.9 | 176.6 | -67.1 | -25.3 | 0 | 0 | 0 | 112.7 | S425 T432 N433 | S425-D429 VanDerWaalsContact O-CG 3.32Å; S425-D429 PolarHBondContact O-N 3.3Å; D429-T432 PolarHBondContact O-OG1 3.42Å; D429-N433 PolarHBondContact O-N 3.16Å; D429-N433 PolarHBondContact O-ND2 3.02Å |
| 430 | T | 59.6 | Low | 56.3 | Low | 86 Ų | 86 | 114.4 Ų | 114.4 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.6 | -31.3 | 173.5 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | R426 L427 L428 A434 | R426-T430 PolarHBondContact O-N 3Å; R426-T430 VanDerWaalsContact O-N 3.13Å; R426-T430 PolarHBondContact O-OG1 3.46Å; L427-T430 WeakPolarHBondContact CA-OG1 3.49Å; L427-T430 PolarHBondContact O-N 3.48Å; L427-T430 PolarHBondContact O-OG1 3.26Å; L428-T430 VanDerWaalsContact C-N 3.28Å; L428-T430 PolarHBondContact O-N 3.28Å; T430-A434 WeakPolarHBondContact O-CB 3.46Å; T430-A434 PolarHBondContact O-N 3.06Å; T430-A434 VanDerWaalsContact O-N 3.17Å |
| 431 | E | 56.9 | Low | 56.4 | Low | 134 Ų | 134 | 112.5 Ų | 112.5 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.4 | -39.3 | 175.6 | -90.4 | -176.5 | 159.8 | 0 | 0 | 112.4 | L427 L428 N433 A434 I435 | L427-E431 PolarHBondContact O-N 2.96Å; L427-E431 VanDerWaalsContact O-N 3.14Å; L428-E431 PolarHBondContact O-N 3.25Å; E431-N433 VanDerWaalsContact C-N 3.35Å; E431-N433 PolarHBondContact O-N 3.17Å; E431-A434 PolarHBondContact O-N 3.16Å; E431-I435 WeakPolarHBondContact O-CG1 3.46Å; E431-I435 PolarHBondContact O-N 3.43Å |
| 432 | T | 57.1 | Low | 56.5 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.1 | -37.6 | 175.4 | 28.7 | 0 | 0 | 0 | 0 | 112.6 | L428 D429 A434 I435 | L428-T432 PolarHBondContact O-N 2.97Å; L428-T432 VanDerWaalsContact O-N 3.14Å; L428-T432 PolarHBondContact O-OG1 3.38Å; D429-T432 PolarHBondContact O-OG1 3.42Å; T432-A434 VanDerWaalsContact C-N 3.34Å; T432-I435 PolarHBondContact O-N 3.23Å |
| 433 | N | 56.2 | Low | 56.3 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.1 | -24.6 | 175.9 | -74.2 | -37.3 | 0 | 0 | 0 | 113.5 | D429 E431 S436 | D429-N433 PolarHBondContact O-N 3.16Å; D429-N433 PolarHBondContact O-ND2 3.02Å; E431-N433 VanDerWaalsContact C-N 3.35Å; E431-N433 PolarHBondContact O-N 3.17Å; N433-S436 PolarHBondContact O-OG 3.17Å |
| 434 | A | 56.3 | Low | 56.3 | Low | 61 Ų | 61 | 110.8 Ų | 110.8 | 50% | 0.504 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.6 | -29.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T430 E431 T432 | T430-A434 WeakPolarHBondContact O-CB 3.46Å; T430-A434 PolarHBondContact O-N 3.06Å; T430-A434 VanDerWaalsContact O-N 3.17Å; E431-A434 PolarHBondContact O-N 3.16Å; T432-A434 VanDerWaalsContact C-N 3.34Å |
| 435 | I | 55.2 | Low | 56.2 | Low | 130 Ų | 130 | 111.2 Ų | 111.2 | 67% | 0.667 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76 | -29 | 179.2 | -64 | 168.5 | 0 | 0 | 0 | 111.3 | E431 T432 I437 | E431-I435 WeakPolarHBondContact O-CG1 3.46Å; E431-I435 PolarHBondContact O-N 3.43Å; T432-I435 PolarHBondContact O-N 3.23Å; I435-I437 VanDerWaalsContact C-N 3.34Å; I435-I437 PolarHBondContact O-N 3.42Å |
| 436 | S | 53.9 | Low | 55.9 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -3.4 | -179 | 60.6 | 0 | 0 | 0 | 0 | 115.6 | N433 | N433-S436 PolarHBondContact O-OG 3.17Š|
| 437 | I | 54.4 | Low | 55.7 | Low | 135 Ų | 135 | 110.2 Ų | 110.2 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -9.7 | -179.8 | -64 | 176.3 | 0 | 0 | 0 | 112.3 | I435 | I435-I437 VanDerWaalsContact C-N 3.34Å; I435-I437 PolarHBondContact O-N 3.42Å |
| 438 | N | 47.1 | Very low | 55.3 | Low | 158 Ų | 158 | 110.2 Ų | 110.2 | 85% | 0.845 | 63% | 0.633 | S | S | * | * | trans | -114.5 | 23.7 | 179.1 | -78.1 | -15.2 | 0 | 0 | 0 | 114.3 | ||||
| 439 | S | 44.1 | Very low | 54.7 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 100% | 1.098 | 64% | 0.642 | S | S | * | * | trans | -120.9 | 0 | 164.7 | 64 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 439 of 439 residues in 409.3 ms
(Link to these results)