| 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 | 49.3 | Very low | 79.6 | Confident | 180 Ų | 180 | 79.7 Ų | 79.7 | 89% | 0.887 | 42% | 0.416 | S | S | * | . | 0 | 103.5 | 0 | -75.8 | -169.7 | -92.4 | 0 | 0 | 107.3 | |||||
| 2 | A | 62.3 | Low | 80.7 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 74% | 0.736 | 41% | 0.406 | S | S | * | . | trans | -65.1 | 150.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | N4 | A2-N4 PolarHBondContact O-N 3.3Š| ||
| 3 | V | 69.6 | Low | 81.6 | Confident | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | trans | -55.9 | 132.2 | 166.6 | 178 | 0 | 0 | 0 | 0 | 107.4 | K5 K8 L213 Q216 K220 | V3-K5 PolarHBondContact O-N 2.75Å; V3-K8 HydrophobicContact CG1-CB 4.49Å; V3-L213 HydrophobicContact CG1-CD2 3.71Å; V3-Q216 HydrophobicContact CG2-CB 4.37Å; V3-K220 HydrophobicContact CG2-CD 4.33Å | ||
| 4 | N | 81.4 | Confident | 82.4 | Confident | 79 Ų | 79 | 83.2 Ų | 83.2 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | trans | -66.2 | 104.9 | 179.6 | -173.4 | -15.5 | 0 | 0 | 0 | 108.3 | A2 C6 V7 K8 | A2-N4 PolarHBondContact O-N 3.3Å; N4-C6 PolarHBondContact O-N 3.33Å; N4-C6 WeakPolarHBondContact OD1-CB 3.15Å; N4-C6 PolarHBondContact OD1-N 2.94Å; N4-C6 VanDerWaalsContact OD1-N 3.13Å; N4-V7 HydrophobicContact CB-CB 4.26Å; N4-V7 HydrophobicContact CB-CG2 4.09Å; N4-V7 PolarHBondContact O-N 3.27Å; N4-V7 VanDerWaalsContact O-N 3.11Å; N4-K8 PolarHBondContact O-N 3.49Å; N4-K8 VanDerWaalsContact O-N 3.09Å | ||
| 5 | K | 84.9 | Confident | 83.1 | Confident | 153 Ų | 153 | 78.2 Ų | 78.2 | 67% | 0.665 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -55.7 | -38.4 | -176.7 | -67 | -176 | -178.6 | -179.8 | 0 | 111.1 | V3 V7 K8 Y9 | V3-K5 PolarHBondContact O-N 2.75Å; K5-V7 PolarHBondContact O-N 2.75Å; K5-K8 PolarHBondContact O-N 3.08Å; K5-Y9 HydrophobicContact CB-CD2 4.21Å; K5-Y9 HydrophobicContact CB-CE2 4.08Å; K5-Y9 WeakPolarHBondContact O-CD2 3.3Å; K5-Y9 PolarHBondContact O-N 3.35Å |
| 6 | C | 85.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | N4 K8 Y9 L10 | N4-C6 PolarHBondContact O-N 3.33Å; N4-C6 WeakPolarHBondContact OD1-CB 3.15Å; N4-C6 PolarHBondContact OD1-N 2.94Å; N4-C6 VanDerWaalsContact OD1-N 3.13Å; C6-K8 VanDerWaalsContact C-N 3.34Å; C6-K8 PolarHBondContact O-N 3.19Å; C6-Y9 PolarHBondContact O-N 3.4Å; C6-L10 WeakPolarHBondContact O-CB 3.41Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.02Å; C6-L10 PolarHBondContact O-N 3.39Å |
| 7 | V | 85.6 | Confident | 84.6 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | N4 K5 L11 F209 M212 L213 | N4-V7 HydrophobicContact CB-CB 4.26Å; N4-V7 HydrophobicContact CB-CG2 4.09Å; N4-V7 PolarHBondContact O-N 3.27Å; N4-V7 VanDerWaalsContact O-N 3.11Å; K5-V7 PolarHBondContact O-N 2.75Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 PolarHBondContact O-N 3.36Å; V7-F209 HydrophobicContact CG1-CB 4.5Å; V7-F209 HydrophobicContact CG1-CD1 3.6Å; V7-F209 HydrophobicContact CG1-CE1 4.29Å; V7-F209 HydrophobicContact CG1-CG 4.44Å; V7-F209 HydrophobicContact CG2-CD1 4.38Å; V7-F209 HydrophobicContact CG2-CE1 4.29Å; V7-M212 HydrophobicContact CG1-CE 4.49Å; V7-L213 HydrophobicContact CB-CD2 4.42Å; V7-L213 HydrophobicContact CG1-CD1 4.4Å; V7-L213 HydrophobicContact CG1-CD2 3.91Å; V7-L213 HydrophobicContact CG1-CG 3.9Å |
| 8 | K | 87.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 18% | 0.183 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -50 | 177.5 | -177 | -179.4 | 179.6 | 173.6 | 0 | 111.5 | V3 N4 K5 C6 F12 A70 E73 L213 | V3-K8 HydrophobicContact CG1-CB 4.49Å; N4-K8 PolarHBondContact O-N 3.49Å; N4-K8 VanDerWaalsContact O-N 3.09Å; K5-K8 PolarHBondContact O-N 3.08Å; C6-K8 VanDerWaalsContact C-N 3.34Å; C6-K8 PolarHBondContact O-N 3.19Å; K8-F12 WeakPolarHBondContact O-CB 3.49Å; K8-F12 PolarHBondContact O-N 3.11Å; K8-A70 WeakPolarHBondContact CE-O 3.3Å; K8-E73 IonicContact NZ-OE1 2.84Å; K8-E73 PolarHBondContact NZ-OE1 3.32Å; K8-L213 HydrophobicContact CB-CD2 4.27Å |
| 9 | Y | 89.9 | Confident | 85.7 | Confident | 154 Ų | 154 | 78.5 Ų | 78.5 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.1 | -39.2 | -178.8 | -73.1 | -63.9 | 0 | 0 | 0 | 112.4 | K5 C6 F12 F13 | K5-Y9 HydrophobicContact CB-CD2 4.21Å; K5-Y9 HydrophobicContact CB-CE2 4.08Å; K5-Y9 WeakPolarHBondContact O-CD2 3.3Å; K5-Y9 PolarHBondContact O-N 3.35Å; C6-Y9 PolarHBondContact O-N 3.4Å; Y9-F12 PolarHBondContact O-N 3.35Å; Y9-F13 VanDerWaalsContact O-CB 3.28Å; Y9-F13 WeakPolarHBondContact O-CB 3.29Å; Y9-F13 PolarHBondContact O-N 3.11Å |
| 10 | L | 89.6 | Confident | 86.3 | Confident | 71 Ų | 71 | 78 Ų | 78 | 37% | 0.372 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 174.5 | -74.8 | 171.7 | 0 | 0 | 0 | 111.1 | C6 F12 F13 F14 | C6-L10 WeakPolarHBondContact O-CB 3.41Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.02Å; C6-L10 PolarHBondContact O-N 3.39Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 3.28Å; L10-F13 PolarHBondContact O-N 3.13Å; L10-F14 HydrophobicContact CB-CD2 4.48Å; L10-F14 HydrophobicContact CD2-CE2 4.11Å; L10-F14 WeakPolarHBondContact O-CD2 3.31Å; L10-F14 PolarHBondContact O-N 3.47Å |
| 11 | L | 89.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 179.8 | -170.7 | 68.8 | 0 | 0 | 0 | 111.3 | V7 N15 A70 L78 F209 L213 | V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 PolarHBondContact O-N 3.36Å; L11-N15 VanDerWaalsContact CD1-ND2 3.28Å; L11-N15 WeakPolarHBondContact CD1-ND2 3.49Å; L11-N15 WeakPolarHBondContact CG-ND2 3.22Å; L11-N15 WeakPolarHBondContact O-CB 3.49Å; L11-N15 PolarHBondContact O-N 2.86Å; L11-N15 PolarHBondContact O-ND2 2.86Å; L11-A70 HydrophobicContact CD2-CB 4.32Å; L11-L78 HydrophobicContact CD2-CD2 4.23Å; L11-F209 HydrophobicContact CD1-CB 3.85Å; L11-L213 HydrophobicContact CB-CD1 4.17Å; L11-L213 HydrophobicContact CD2-CD1 3.44Å; L11-L213 VanDerWaalsContact CD2-CD1 3.44Å; L11-L213 HydrophobicContact CG-CD1 4.43Å |
| 12 | F | 92.6 | Very high | 89 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 175.7 | 177.1 | -99 | 0 | 0 | 0 | 111.8 | K8 Y9 L10 N15 L16 C67 A70 | K8-F12 WeakPolarHBondContact O-CB 3.49Å; K8-F12 PolarHBondContact O-N 3.11Å; Y9-F12 PolarHBondContact O-N 3.35Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 3.28Å; F12-N15 PolarHBondContact O-N 2.91Å; F12-L16 HydrophobicContact CE1-CD2 4.27Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.34Å; F12-L16 PolarHBondContact O-N 3.26Å; F12-C67 HydrophobicContact CD2-CB 4.21Å; F12-C67 HydrophobicContact CE2-CB 4.15Å; F12-A70 HydrophobicContact CB-CB 4.32Å |
| 13 | F | 92.9 | Very high | 90.7 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | -178.8 | 178.7 | -103.3 | 0 | 0 | 0 | 112.3 | Y9 L10 N15 L16 L17 | Y9-F13 VanDerWaalsContact O-CB 3.28Å; Y9-F13 WeakPolarHBondContact O-CB 3.29Å; Y9-F13 PolarHBondContact O-N 3.11Å; L10-F13 PolarHBondContact O-N 3.13Å; F13-N15 PolarHBondContact O-N 3.22Å; F13-L16 WeakPolarHBondContact O-CB 3.33Å; F13-L16 PolarHBondContact O-N 2.92Å; F13-L17 HydrophobicContact CD1-CD1 4.17Å; F13-L17 HydrophobicContact CE1-CD1 3.59Å; F13-L17 HydrophobicContact CE1-CG 4.28Å; F13-L17 HydrophobicContact CZ-CD1 3.87Å; F13-L17 HydrophobicContact CZ-CD2 4.35Å; F13-L17 HydrophobicContact CZ-CG 4.25Å; F13-L17 WeakPolarHBondContact O-CG 3.4Å; F13-L17 PolarHBondContact O-N 3.37Å |
| 14 | F | 91.9 | Very high | 92 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 178.6 | -78.5 | -65.6 | 0 | 0 | 0 | 112.3 | L10 L16 L17 F18 | L10-F14 HydrophobicContact CB-CD2 4.48Å; L10-F14 HydrophobicContact CD2-CE2 4.11Å; L10-F14 WeakPolarHBondContact O-CD2 3.31Å; L10-F14 PolarHBondContact O-N 3.47Å; F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 PolarHBondContact O-N 3.37Å; F14-L17 PolarHBondContact O-N 3.18Å; F14-F18 WeakPolarHBondContact O-CD2 3.35Å; F14-F18 PolarHBondContact O-N 3.03Å |
| 15 | N | 93.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -29.8 | 176.3 | -78.5 | -76.7 | 0 | 0 | 0 | 112.5 | L11 F12 F13 F18 W19 C67 F81 | L11-N15 VanDerWaalsContact CD1-ND2 3.28Å; L11-N15 WeakPolarHBondContact CD1-ND2 3.49Å; L11-N15 WeakPolarHBondContact CG-ND2 3.22Å; L11-N15 WeakPolarHBondContact O-CB 3.49Å; L11-N15 PolarHBondContact O-N 2.86Å; L11-N15 PolarHBondContact O-ND2 2.86Å; F12-N15 PolarHBondContact O-N 2.91Å; F13-N15 PolarHBondContact O-N 3.22Å; N15-F18 PolarHBondContact O-N 3.19Å; N15-W19 WeakPolarHBondContact O-CB 3.41Å; N15-W19 PolarHBondContact O-N 3.49Å; N15-C67 VanDerWaalsContact CB-SG 3.54Å; N15-F81 WeakPolarHBondContact OD1-CE2 3.45Å; N15-F81 VanDerWaalsContact OD1-CZ 3.23Å; N15-F81 WeakPolarHBondContact OD1-CZ 3.31Å |
| 16 | L | 95.4 | Very high | 93.1 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 175.6 | -177 | 66.4 | 0 | 0 | 0 | 110.6 | F12 F13 F14 W19 V20 C67 | F12-L16 HydrophobicContact CE1-CD2 4.27Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.34Å; F12-L16 PolarHBondContact O-N 3.26Å; F13-L16 WeakPolarHBondContact O-CB 3.33Å; F13-L16 PolarHBondContact O-N 2.92Å; F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 PolarHBondContact O-N 3.37Å; L16-W19 HydrophobicContact CD1-CE3 3.96Å; L16-W19 PolarHBondContact O-N 3.26Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.45Å; L16-C67 WeakPolarHBondContact CA-SG 3.27Å; L16-C67 PolarHBondContact N-SG 3.16Å |
| 17 | L | 94.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 172.8 | -67 | 178.7 | 0 | 0 | 0 | 111.3 | F13 F14 W19 V20 C21 | F13-L17 HydrophobicContact CD1-CD1 4.17Å; F13-L17 HydrophobicContact CE1-CD1 3.59Å; F13-L17 HydrophobicContact CE1-CG 4.28Å; F13-L17 HydrophobicContact CZ-CD1 3.87Å; F13-L17 HydrophobicContact CZ-CD2 4.35Å; F13-L17 HydrophobicContact CZ-CG 4.25Å; F13-L17 WeakPolarHBondContact O-CG 3.4Å; F13-L17 PolarHBondContact O-N 3.37Å; F14-L17 PolarHBondContact O-N 3.18Å; L17-W19 VanDerWaalsContact C-N 3.31Å; L17-W19 PolarHBondContact O-N 2.87Å; L17-V20 PolarHBondContact O-N 3.39Å; L17-C21 WeakPolarHBondContact O-CB 3.18Å; L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 3.16Å |
| 18 | F | 93.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 175.9 | -74.6 | -60.9 | 0 | 0 | 0 | 112.5 | F14 N15 C21 G22 I59 I202 | F14-F18 WeakPolarHBondContact O-CD2 3.35Å; F14-F18 PolarHBondContact O-N 3.03Å; N15-F18 PolarHBondContact O-N 3.19Å; F18-C21 PolarHBondContact O-N 3.5Å; F18-G22 PolarHBondContact O-N 3.21Å; F18-I59 WeakPolarHBondContact O-CG2 3.4Å; F18-I202 HydrophobicContact CE2-CG2 4.1Å; F18-I202 HydrophobicContact CZ-CG2 3.63Å |
| 19 | W | 97.1 | Very high | 93.9 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 176.2 | 178.8 | 75.4 | 0 | 0 | 0 | 111.8 | N15 L16 L17 C21 G22 C23 M60 | N15-W19 WeakPolarHBondContact O-CB 3.41Å; N15-W19 PolarHBondContact O-N 3.49Å; L16-W19 HydrophobicContact CD1-CE3 3.96Å; L16-W19 PolarHBondContact O-N 3.26Å; L17-W19 VanDerWaalsContact C-N 3.31Å; L17-W19 PolarHBondContact O-N 2.87Å; W19-C21 PolarHBondContact O-N 3.02Å; W19-G22 PolarHBondContact O-N 2.91Å; W19-G22 VanDerWaalsContact O-N 3.16Å; W19-C23 PolarHBondContact O-N 2.96Å; W19-C23 PolarHBondContact O-SG 3.39Å; W19-C23 VanDerWaalsContact O-SG 3.36Å; W19-M60 VanDerWaalsContact CD1-O 3.29Å |
| 20 | V | 97.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.418 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111 | L16 L17 G22 C23 V24 | L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.45Å; L17-V20 PolarHBondContact O-N 3.39Å; V20-G22 VanDerWaalsContact C-N 3.29Å; V20-G22 PolarHBondContact O-N 3.44Å; V20-C23 WeakPolarHBondContact O-CB 3.36Å; V20-C23 PolarHBondContact O-N 2.89Å; V20-C23 VanDerWaalsContact O-N 3.16Å; V20-V24 WeakPolarHBondContact O-CG2 3.41Å; V20-V24 PolarHBondContact O-N 3.34Å |
| 21 | C | 96 | Very high | 93.9 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 174.8 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | L17 F18 W19 C23 V24 I25 | L17-C21 WeakPolarHBondContact O-CB 3.18Å; L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 3.16Å; F18-C21 PolarHBondContact O-N 3.5Å; W19-C21 PolarHBondContact O-N 3.02Å; C21-C23 PolarHBondContact O-N 3.09Å; C21-V24 PolarHBondContact O-N 3.21Å; C21-I25 VanDerWaalsContact O-CG1 3.27Å; C21-I25 WeakPolarHBondContact O-CG1 3.28Å; C21-I25 PolarHBondContact O-N 3Å |
| 22 | G | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F18 W19 V20 V24 I25 L26 | F18-G22 PolarHBondContact O-N 3.21Å; W19-G22 PolarHBondContact O-N 2.91Å; W19-G22 VanDerWaalsContact O-N 3.16Å; V20-G22 VanDerWaalsContact C-N 3.29Å; V20-G22 PolarHBondContact O-N 3.44Å; G22-V24 PolarHBondContact O-N 2.88Å; G22-I25 PolarHBondContact O-N 3.22Å; G22-L26 WeakPolarHBondContact O-CB 3.36Å; G22-L26 PolarHBondContact O-N 2.94Å |
| 23 | C | 97.4 | Very high | 93 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | W19 V20 C21 G27 | W19-C23 PolarHBondContact O-N 2.96Å; W19-C23 PolarHBondContact O-SG 3.39Å; W19-C23 VanDerWaalsContact O-SG 3.36Å; V20-C23 WeakPolarHBondContact O-CB 3.36Å; V20-C23 PolarHBondContact O-N 2.89Å; V20-C23 VanDerWaalsContact O-N 3.16Å; C21-C23 PolarHBondContact O-N 3.09Å; C23-G27 PolarHBondContact O-N 3.11Å |
| 24 | V | 97.4 | Very high | 92.5 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V20 C21 G22 L26 G27 V28 | V20-V24 WeakPolarHBondContact O-CG2 3.41Å; V20-V24 PolarHBondContact O-N 3.34Å; C21-V24 PolarHBondContact O-N 3.21Å; G22-V24 PolarHBondContact O-N 2.88Å; V24-L26 VanDerWaalsContact C-N 3.31Å; V24-L26 PolarHBondContact O-N 3.45Å; V24-G27 PolarHBondContact O-N 3.37Å; V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 WeakPolarHBondContact O-CB 3.21Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.47Å |
| 25 | I | 94.8 | Very high | 91.8 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 178.5 | -67.8 | 166.4 | 0 | 0 | 0 | 110.5 | C21 G22 V28 G29 M52 I59 | C21-I25 VanDerWaalsContact O-CG1 3.27Å; C21-I25 WeakPolarHBondContact O-CG1 3.28Å; C21-I25 PolarHBondContact O-N 3Å; G22-I25 PolarHBondContact O-N 3.22Å; I25-V28 PolarHBondContact O-N 3.39Å; I25-G29 PolarHBondContact O-N 2.81Å; I25-M52 HydrophobicContact CG2-CG 3.83Å; I25-I59 HydrophobicContact CD1-CD1 4.26Å |
| 26 | L | 95.3 | Very high | 90.7 | Very high | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.8 | 179.2 | 57.5 | 0 | 0 | 0 | 111.7 | G22 V24 G29 I30 I53 V57 M60 | G22-L26 WeakPolarHBondContact O-CB 3.36Å; G22-L26 PolarHBondContact O-N 2.94Å; V24-L26 VanDerWaalsContact C-N 3.31Å; V24-L26 PolarHBondContact O-N 3.45Å; L26-G29 PolarHBondContact O-N 3.45Å; L26-I30 HydrophobicContact CD1-CD1 3.91Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 4.01Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 3.22Å; L26-I53 HydrophobicContact CD1-CB 4.41Å; L26-I53 HydrophobicContact CD1-CG2 3.75Å; L26-V57 HydrophobicContact CD1-CG2 3.69Å; L26-V57 HydrophobicContact CD2-CG2 4.08Å; L26-M60 HydrophobicContact CD2-CE 4.05Å; L26-M60 HydrophobicContact CD2-SD 4.07Å |
| 27 | G | 94.3 | Very high | 88.9 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C23 V24 G29 I30 Y31 | C23-G27 PolarHBondContact O-N 3.11Å; V24-G27 PolarHBondContact O-N 3.37Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G27-I30 PolarHBondContact O-N 3.34Å; G27-Y31 WeakPolarHBondContact O-CB 3.43Å; G27-Y31 PolarHBondContact O-N 3Å |
| 28 | V | 91.3 | Very high | 86.8 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | V24 I25 Y31 L32 M52 | V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 WeakPolarHBondContact O-CB 3.21Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.47Å; I25-V28 PolarHBondContact O-N 3.39Å; V28-Y31 PolarHBondContact O-N 3.36Å; V28-L32 HydrophobicContact CG1-CD1 3.96Å; V28-L32 HydrophobicContact CG1-CG 4.37Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.48Å; V28-M52 HydrophobicContact CG1-CE 3.97Å |
| 29 | G | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I25 L26 G27 K33 | I25-G29 PolarHBondContact O-N 2.81Å; L26-G29 PolarHBondContact O-N 3.45Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G29-K33 VanDerWaalsContact O-CB 3.3Å; G29-K33 WeakPolarHBondContact O-CB 3.48Å; G29-K33 PolarHBondContact O-N 3.4Å |
| 30 | I | 90.3 | Very high | 82.4 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 176.1 | -65.8 | 166.9 | 0 | 0 | 0 | 110.5 | L26 G27 L32 K33 V34 I53 | L26-I30 HydrophobicContact CD1-CD1 3.91Å; L26-I30 HydrophobicContact CD1-CG1 4.27Å; L26-I30 HydrophobicContact CG-CD1 4.01Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 3.22Å; G27-I30 PolarHBondContact O-N 3.34Å; I30-L32 VanDerWaalsContact C-N 3.35Å; I30-L32 PolarHBondContact O-N 2.9Å; I30-K33 PolarHBondContact O-N 3.14Å; I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CG2 3.42Å; I30-V34 PolarHBondContact O-N 3.38Å; I30-I53 HydrophobicContact CG1-CD1 4.23Å; I30-I53 HydrophobicContact CG1-CG1 4.33Å |
| 31 | Y | 89 | Confident | 79.8 | Confident | 152 Ų | 152 | 71.8 Ų | 71.8 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.5 | -47.3 | 178.8 | 174.7 | -98.4 | 0 | 0 | 0 | 111.9 | G27 V28 V34 T35 | G27-Y31 WeakPolarHBondContact O-CB 3.43Å; G27-Y31 PolarHBondContact O-N 3Å; V28-Y31 PolarHBondContact O-N 3.36Å; Y31-V34 PolarHBondContact O-N 2.95Å; Y31-T35 VanDerWaalsContact O-CB 3.32Å; Y31-T35 WeakPolarHBondContact O-CB 3.37Å; Y31-T35 PolarHBondContact O-N 3.16Å; Y31-T35 PolarHBondContact O-OG1 2.88Å |
| 32 | L | 83.1 | Confident | 77.5 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 177.2 | -73.4 | 176.4 | 0 | 0 | 0 | 111.4 | V28 I30 V34 T35 K36 F49 M52 | V28-L32 HydrophobicContact CG1-CD1 3.96Å; V28-L32 HydrophobicContact CG1-CG 4.37Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.48Å; I30-L32 VanDerWaalsContact C-N 3.35Å; I30-L32 PolarHBondContact O-N 2.9Å; L32-V34 VanDerWaalsContact C-N 3.32Å; L32-V34 PolarHBondContact O-N 3.31Å; L32-T35 PolarHBondContact O-N 3.29Å; L32-K36 HydrophobicContact CD2-CD 4.32Å; L32-K36 VanDerWaalsContact O-CB 3.25Å; L32-K36 WeakPolarHBondContact O-CB 3.37Å; L32-K36 PolarHBondContact O-N 3.4Å; L32-F49 HydrophobicContact CB-CD1 3.93Å; L32-F49 HydrophobicContact CB-CE1 3.89Å; L32-F49 HydrophobicContact CB-CZ 4.45Å; L32-F49 HydrophobicContact CD1-CD1 4.33Å; L32-F49 HydrophobicContact CD1-CE1 3.99Å; L32-F49 HydrophobicContact CG-CE1 4.46Å; L32-M52 HydrophobicContact CD1-CE 3.76Å |
| 33 | K | 81.1 | Confident | 75.2 | Confident | 86 Ų | 86 | 77 Ų | 77 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.4 | -176 | 170.8 | -179 | 169.5 | 0 | 112.3 | G29 I30 G37 F49 D50 I53 | G29-K33 VanDerWaalsContact O-CB 3.3Å; G29-K33 WeakPolarHBondContact O-CB 3.48Å; G29-K33 PolarHBondContact O-N 3.4Å; I30-K33 PolarHBondContact O-N 3.14Å; K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 3.49Å; K33-F49 HydrophobicContact CB-CB 4.37Å; K33-D50 WeakPolarHBondContact CE-OD1 3.45Å; K33-D50 IonicContact NZ-OD1 2.75Å; K33-D50 PolarHBondContact NZ-OD1 3.38Å; K33-D50 IonicContact NZ-OD2 2.78Å; K33-I53 HydrophobicContact CB-CD1 4.12Å; K33-I53 HydrophobicContact CD-CD1 3.69Å |
| 34 | V | 82.6 | Confident | 72.8 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 63% | 0.63 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -74.8 | -46.7 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | I30 Y31 L32 | I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CG2 3.42Å; I30-V34 PolarHBondContact O-N 3.38Å; Y31-V34 PolarHBondContact O-N 2.95Å; L32-V34 VanDerWaalsContact C-N 3.32Å; L32-V34 PolarHBondContact O-N 3.31Å |
| 35 | T | 77.1 | Confident | 70.2 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | -174.1 | -50.3 | 0 | 0 | 0 | 0 | 112.1 | Y31 L32 | Y31-T35 VanDerWaalsContact O-CB 3.32Å; Y31-T35 WeakPolarHBondContact O-CB 3.37Å; Y31-T35 PolarHBondContact O-N 3.16Å; Y31-T35 PolarHBondContact O-OG1 2.88Å; L32-T35 PolarHBondContact O-N 3.29Å |
| 36 | K | 69.9 | Low | 68.2 | Low | 58 Ų | 58 | 82.7 Ų | 82.7 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -99.1 | -17.3 | -179.8 | -61.7 | -170.5 | 169.6 | -165.9 | 0 | 113.6 | L32 F49 E126 | L32-K36 HydrophobicContact CD2-CD 4.32Å; L32-K36 VanDerWaalsContact O-CB 3.25Å; L32-K36 WeakPolarHBondContact O-CB 3.37Å; L32-K36 PolarHBondContact O-N 3.4Å; K36-F49 HydrophobicContact CB-CE2 4.24Å; K36-F49 HydrophobicContact CD-CE2 4.31Å; K36-F49 HydrophobicContact CD-CZ 3.82Å; K36-E126 WeakPolarHBondContact CB-OE2 3.43Å |
| 37 | G | 57.9 | Low | 66.5 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | trans | -99 | 8.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | K33 N39 | K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 3.49Å; G37-N39 PolarHBondContact O-N 3.16Å; G37-N39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | G | 51.5 | Low | 65.3 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 68% | 0.68 | 47% | 0.465 | S | S | * | . | trans | -65 | -5.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 39 | N | 50.7 | Low | 64.7 | Low | 96 Ų | 96 | 84.7 Ų | 84.7 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -99.2 | 126.2 | 175.8 | -68 | -23.6 | 0 | 0 | 0 | 109.7 | G37 I41 T42 | G37-N39 PolarHBondContact O-N 3.16Å; G37-N39 VanDerWaalsContact O-N 3.1Å; N39-I41 PolarHBondContact O-N 3.44Å; N39-T42 PolarHBondContact O-N 3.19Å; N39-T42 PolarHBondContact O-OG1 3.3Å |
| 40 | Q | 46.1 | Very low | 64.4 | Low | 202 Ų | 202 | 88.1 Ų | 88.1 | 94% | 0.944 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 19.3 | -176.1 | -67.8 | -176.9 | -58.3 | 0 | 0 | 116.4 | ||
| 41 | I | 44.6 | Very low | 64.2 | Low | 117 Ų | 117 | 89 Ų | 89 | 60% | 0.6 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 18.1 | -175.4 | -41.3 | 178.9 | 0 | 0 | 0 | 109.8 | N39 K124 | N39-I41 PolarHBondContact O-N 3.44Å; I41-K124 WeakPolarHBondContact O-CE 3.33Å; I41-K124 PolarHBondContact O-NZ 3.04Å |
| 42 | T | 46.8 | Very low | 64.2 | Low | 24 Ų | 24 | 84.4 Ų | 84.4 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | trans | -98 | -18.5 | -169.9 | -39.8 | 0 | 0 | 0 | 0 | 113.1 | N39 Q44 K124 | N39-T42 PolarHBondContact O-N 3.19Å; N39-T42 PolarHBondContact O-OG1 3.3Å; T42-Q44 PolarHBondContact O-N 2.92Å; T42-K124 PolarHBondContact OG1-NZ 2.92Å | ||
| 43 | D | 49.4 | Very low | 64.6 | Low | 152 Ų | 152 | 84 Ų | 84 | 81% | 0.813 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.1 | 178.9 | -70.6 | -27.3 | 0 | 0 | 0 | 113.9 | ||
| 44 | Q | 46.9 | Very low | 65.1 | Low | 158 Ų | 158 | 82.1 Ų | 82.1 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -15.5 | -169.1 | -159.5 | 161.5 | -9.3 | 0 | 0 | 114.9 | T42 | T42-Q44 PolarHBondContact O-N 2.92Š|
| 45 | Y | 43 | Very low | 65.6 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -12.3 | -168.4 | -78.7 | -83.5 | 0 | 0 | 0 | 117.7 | P47 | Y45-P47 VanDerWaalsContact C-CD 3.46Å; Y45-P47 WeakPolarHBondContact O-CD 3.45Å |
| 46 | L | 51.9 | Low | 66.5 | Low | 39 Ų | 39 | 77.5 Ų | 77.5 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | trans | -126.4 | 72.1 | 176.2 | -68.1 | 177.6 | 0 | 0 | 0 | 112.8 | S48 F49 V127 | L46-S48 PolarHBondContact O-N 3.39Å; L46-F49 HydrophobicContact CD1-CE2 4.31Å; L46-V127 HydrophobicContact CD1-CG2 4.03Å | ||
| 47 | P | 59.3 | Low | 67.8 | Low | 74 Ų | 74 | 77.5 Ų | 77.5 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -9.4 | 171.5 | 26.7 | -34.7 | 0 | 0 | 0 | 113.2 | Y45 F49 D50 L51 | Y45-P47 VanDerWaalsContact C-CD 3.46Å; Y45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-F49 PolarHBondContact O-N 2.83Å; P47-D50 PolarHBondContact O-N 2.86Å; P47-L51 HydrophobicContact CB-CD1 4.33Å; P47-L51 VanDerWaalsContact O-CB 3.28Å; P47-L51 WeakPolarHBondContact O-CB 3.39Å; P47-L51 WeakPolarHBondContact O-CD1 3.48Å; P47-L51 WeakPolarHBondContact O-CG 3.37Å; P47-L51 PolarHBondContact O-N 3.27Å |
| 48 | S | 68.5 | Low | 69.6 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | -177.3 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | L46 M52 | L46-S48 PolarHBondContact O-N 3.39Å; S48-M52 WeakPolarHBondContact O-CB 3.1Å; S48-M52 PolarHBondContact O-N 3.06Å |
| 49 | F | 80.3 | Confident | 71.7 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 13% | 0.127 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -75.3 | -40.2 | 179.9 | -58.4 | -46.5 | 0 | 0 | 0 | 112.2 | L32 K33 K36 L46 P47 L51 M52 I53 | L32-F49 HydrophobicContact CB-CD1 3.93Å; L32-F49 HydrophobicContact CB-CE1 3.89Å; L32-F49 HydrophobicContact CB-CZ 4.45Å; L32-F49 HydrophobicContact CD1-CD1 4.33Å; L32-F49 HydrophobicContact CD1-CE1 3.99Å; L32-F49 HydrophobicContact CG-CE1 4.46Å; K33-F49 HydrophobicContact CB-CB 4.37Å; K36-F49 HydrophobicContact CB-CE2 4.24Å; K36-F49 HydrophobicContact CD-CE2 4.31Å; K36-F49 HydrophobicContact CD-CZ 3.82Å; L46-F49 HydrophobicContact CD1-CE2 4.31Å; P47-F49 PolarHBondContact O-N 2.83Å; F49-L51 VanDerWaalsContact C-N 3.34Å; F49-M52 PolarHBondContact O-N 3.28Å; F49-I53 VanDerWaalsContact O-CG1 3.32Å; F49-I53 WeakPolarHBondContact O-CG1 3.23Å; F49-I53 PolarHBondContact O-N 3.06Å |
| 50 | D | 83.4 | Confident | 73.9 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.6 | -71.5 | -35.1 | 0 | 0 | 0 | 111.8 | K33 P47 I53 A54 | K33-D50 WeakPolarHBondContact CE-OD1 3.45Å; K33-D50 IonicContact NZ-OD1 2.75Å; K33-D50 PolarHBondContact NZ-OD1 3.38Å; K33-D50 IonicContact NZ-OD2 2.78Å; P47-D50 PolarHBondContact O-N 2.86Å; D50-I53 PolarHBondContact O-N 2.78Å; D50-A54 WeakPolarHBondContact O-CB 3.31Å; D50-A54 PolarHBondContact O-N 3.41Å |
| 51 | L | 85.8 | Confident | 76.2 | Confident | 103 Ų | 103 | 71.2 Ų | 71.2 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 171.7 | -73.1 | 171.1 | 0 | 0 | 0 | 111.5 | P47 F49 I53 A54 I55 | P47-L51 HydrophobicContact CB-CD1 4.33Å; P47-L51 VanDerWaalsContact O-CB 3.28Å; P47-L51 WeakPolarHBondContact O-CB 3.39Å; P47-L51 WeakPolarHBondContact O-CD1 3.48Å; P47-L51 WeakPolarHBondContact O-CG 3.37Å; P47-L51 PolarHBondContact O-N 3.27Å; F49-L51 VanDerWaalsContact C-N 3.34Å; L51-I53 PolarHBondContact O-N 3.1Å; L51-A54 PolarHBondContact O-N 2.96Å; L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.35Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.41Å |
| 52 | M | 88.8 | Confident | 78.7 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 177.8 | -168.8 | 164.8 | 76 | 0 | 0 | 112.1 | I25 V28 L32 S48 F49 G56 | I25-M52 HydrophobicContact CG2-CG 3.83Å; V28-M52 HydrophobicContact CG1-CE 3.97Å; L32-M52 HydrophobicContact CD1-CE 3.76Å; S48-M52 WeakPolarHBondContact O-CB 3.1Å; S48-M52 PolarHBondContact O-N 3.06Å; F49-M52 PolarHBondContact O-N 3.28Å; M52-G56 PolarHBondContact O-N 3.39Å |
| 53 | I | 91.8 | Very high | 81 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 172.8 | -70.3 | 168.7 | 0 | 0 | 0 | 109.9 | L26 I30 K33 F49 D50 L51 I55 G56 V57 | L26-I53 HydrophobicContact CD1-CB 4.41Å; L26-I53 HydrophobicContact CD1-CG2 3.75Å; I30-I53 HydrophobicContact CG1-CD1 4.23Å; I30-I53 HydrophobicContact CG1-CG1 4.33Å; K33-I53 HydrophobicContact CB-CD1 4.12Å; K33-I53 HydrophobicContact CD-CD1 3.69Å; F49-I53 VanDerWaalsContact O-CG1 3.32Å; F49-I53 WeakPolarHBondContact O-CG1 3.23Å; F49-I53 PolarHBondContact O-N 3.06Å; D50-I53 PolarHBondContact O-N 2.78Å; L51-I53 PolarHBondContact O-N 3.1Å; I53-I55 PolarHBondContact O-N 3.44Å; I53-G56 PolarHBondContact O-N 3.44Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.49Å |
| 54 | A | 91.8 | Very high | 83.1 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | D50 L51 G56 V57 I58 | D50-A54 WeakPolarHBondContact O-CB 3.31Å; D50-A54 PolarHBondContact O-N 3.41Å; L51-A54 PolarHBondContact O-N 2.96Å; A54-G56 PolarHBondContact O-N 2.93Å; A54-V57 PolarHBondContact O-N 3.44Å; A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.18Å; A54-I58 PolarHBondContact O-N 3.42Å |
| 55 | I | 92.9 | Very high | 85.4 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.7 | -68.8 | 164.6 | 0 | 0 | 0 | 110.3 | L51 I53 V57 I58 I59 | L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.35Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.41Å; I53-I55 PolarHBondContact O-N 3.44Å; I55-V57 PolarHBondContact O-N 3.03Å; I55-I58 PolarHBondContact O-N 3Å; I55-I59 HydrophobicContact CG2-CD1 3.6Å; I55-I59 HydrophobicContact CG2-CG1 4.3Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.35Å; I55-I59 PolarHBondContact O-N 3.36Å |
| 56 | G | 96 | Very high | 87.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M52 I53 A54 I59 M60 | M52-G56 PolarHBondContact O-N 3.39Å; I53-G56 PolarHBondContact O-N 3.44Å; A54-G56 PolarHBondContact O-N 2.93Å; G56-I59 PolarHBondContact O-N 3.48Å; G56-M60 VanDerWaalsContact O-CB 3.27Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 PolarHBondContact O-N 3.5Å |
| 57 | V | 96.4 | Very high | 89.8 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L26 I53 A54 I55 I59 M60 V61 | L26-V57 HydrophobicContact CD1-CG2 3.69Å; L26-V57 HydrophobicContact CD2-CG2 4.08Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.49Å; A54-V57 PolarHBondContact O-N 3.44Å; I55-V57 PolarHBondContact O-N 3.03Å; V57-I59 PolarHBondContact O-N 2.85Å; V57-M60 PolarHBondContact O-N 3.39Å; V57-V61 HydrophobicContact CG1-CG2 4.25Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 3.29Å |
| 58 | I | 95.1 | Very high | 91.4 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | -179.5 | -69.5 | 165.2 | 0 | 0 | 0 | 110.6 | A54 I55 M60 V61 I62 | A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.18Å; A54-I58 PolarHBondContact O-N 3.42Å; I55-I58 PolarHBondContact O-N 3Å; I58-M60 VanDerWaalsContact C-N 3.33Å; I58-M60 PolarHBondContact O-N 2.81Å; I58-V61 PolarHBondContact O-N 2.98Å; I58-I62 HydrophobicContact CG2-CD1 3.62Å; I58-I62 HydrophobicContact CG2-CG1 4.42Å; I58-I62 WeakPolarHBondContact O-CB 3.44Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.47Å; I58-I62 PolarHBondContact O-N 2.94Å |
| 59 | I | 95.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 178.7 | -66.3 | 170.1 | 0 | 0 | 0 | 110.5 | F18 I25 I55 G56 V57 G63 | F18-I59 WeakPolarHBondContact O-CG2 3.4Å; I25-I59 HydrophobicContact CD1-CD1 4.26Å; I55-I59 HydrophobicContact CG2-CD1 3.6Å; I55-I59 HydrophobicContact CG2-CG1 4.3Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.35Å; I55-I59 PolarHBondContact O-N 3.36Å; G56-I59 PolarHBondContact O-N 3.48Å; V57-I59 PolarHBondContact O-N 2.85Å; I59-G63 PolarHBondContact O-N 2.96Å |
| 60 | M | 96.6 | Very high | 93 | Very high | 50 Ų | 50 | 43.2 Ų | 43.2 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.1 | -177 | -174.1 | 67 | 0 | 0 | 111.4 | W19 L26 G56 V57 I58 G63 F64 | W19-M60 VanDerWaalsContact CD1-O 3.29Å; L26-M60 HydrophobicContact CD2-CE 4.05Å; L26-M60 HydrophobicContact CD2-SD 4.07Å; G56-M60 VanDerWaalsContact O-CB 3.27Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 PolarHBondContact O-N 3.5Å; V57-M60 PolarHBondContact O-N 3.39Å; I58-M60 VanDerWaalsContact C-N 3.33Å; I58-M60 PolarHBondContact O-N 2.81Å; M60-G63 PolarHBondContact O-N 3.41Å; M60-F64 WeakPolarHBondContact O-CB 3.39Å; M60-F64 PolarHBondContact O-N 3.45Å |
| 61 | V | 95.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | -179.7 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V57 I58 F64 L65 | V57-V61 HydrophobicContact CG1-CG2 4.25Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 3.29Å; I58-V61 PolarHBondContact O-N 2.98Å; V61-F64 PolarHBondContact O-N 2.9Å; V61-L65 HydrophobicContact CG1-CD1 4.09Å; V61-L65 WeakPolarHBondContact O-CG 3.08Å; V61-L65 PolarHBondContact O-N 2.93Å |
| 62 | I | 95.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 179.2 | -68.8 | 173.6 | 0 | 0 | 0 | 110.7 | I58 F64 L65 G66 F81 F84 L85 I88 | I58-I62 HydrophobicContact CG2-CD1 3.62Å; I58-I62 HydrophobicContact CG2-CG1 4.42Å; I58-I62 WeakPolarHBondContact O-CB 3.44Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.47Å; I58-I62 PolarHBondContact O-N 2.94Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.5Å; I62-L65 PolarHBondContact O-N 3.39Å; I62-G66 PolarHBondContact O-N 2.89Å; I62-F81 HydrophobicContact CG2-CD2 3.76Å; I62-F81 HydrophobicContact CG2-CE2 3.61Å; I62-F81 WeakPolarHBondContact O-CD2 3.31Å; I62-F84 HydrophobicContact CD1-CB 4.13Å; I62-F84 HydrophobicContact CG1-CB 4.21Å; I62-F84 HydrophobicContact CG1-CG 4.43Å; I62-L85 HydrophobicContact CG2-CD2 4.1Å; I62-I88 HydrophobicContact CD1-CD1 3.43Å; I62-I88 VanDerWaalsContact CD1-CD1 3.43Å |
| 63 | G | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I59 M60 G66 C67 | I59-G63 PolarHBondContact O-N 2.96Å; M60-G63 PolarHBondContact O-N 3.41Å; G63-G66 PolarHBondContact O-N 3.24Å; G63-C67 WeakPolarHBondContact O-CB 3.22Å; G63-C67 PolarHBondContact O-N 2.9Å; G63-C67 PolarHBondContact O-SG 2.96Å |
| 64 | F | 94.8 | Very high | 93.6 | Very high | 110 Ų | 110 | 48.5 Ų | 48.5 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 175.8 | 178.2 | -100.3 | 0 | 0 | 0 | 112.3 | M60 V61 I62 C67 C68 | M60-F64 WeakPolarHBondContact O-CB 3.39Å; M60-F64 PolarHBondContact O-N 3.45Å; V61-F64 PolarHBondContact O-N 2.9Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.5Å; F64-C67 PolarHBondContact O-N 3.27Å; F64-C68 WeakPolarHBondContact CE2-SG 3.33Å; F64-C68 WeakPolarHBondContact CZ-SG 3.42Å; F64-C68 VanDerWaalsContact O-CB 3.31Å; F64-C68 WeakPolarHBondContact O-CB 3.27Å; F64-C68 PolarHBondContact O-N 2.91Å; F64-C68 PolarHBondContact O-SG 3.44Å |
| 65 | L | 94.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.3 | -71.5 | 171.5 | 0 | 0 | 0 | 111.7 | V61 I62 G69 V80 F81 F84 | V61-L65 HydrophobicContact CG1-CD1 4.09Å; V61-L65 WeakPolarHBondContact O-CG 3.08Å; V61-L65 PolarHBondContact O-N 2.93Å; I62-L65 PolarHBondContact O-N 3.39Å; L65-G69 WeakPolarHBondContact O-CA 3.48Å; L65-G69 PolarHBondContact O-N 2.87Å; L65-V80 HydrophobicContact CD1-CG1 3.96Å; L65-F81 HydrophobicContact CB-CB 4.42Å; L65-F84 HydrophobicContact CD1-CD2 4.24Å; L65-F84 HydrophobicContact CD1-CE2 4.22Å |
| 66 | G | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I62 G63 A70 | I62-G66 PolarHBondContact O-N 2.89Å; G63-G66 PolarHBondContact O-N 3.24Å; G66-A70 WeakPolarHBondContact O-CB 3.43Å; G66-A70 PolarHBondContact O-N 3.45Å |
| 67 | C | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -52.9 | 177.2 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | F12 N15 L16 G63 F64 A70 Y71 | F12-C67 HydrophobicContact CD2-CB 4.21Å; F12-C67 HydrophobicContact CE2-CB 4.15Å; N15-C67 VanDerWaalsContact CB-SG 3.54Å; L16-C67 WeakPolarHBondContact CA-SG 3.27Å; L16-C67 PolarHBondContact N-SG 3.16Å; G63-C67 WeakPolarHBondContact O-CB 3.22Å; G63-C67 PolarHBondContact O-N 2.9Å; G63-C67 PolarHBondContact O-SG 2.96Å; F64-C67 PolarHBondContact O-N 3.27Å; C67-A70 PolarHBondContact O-N 2.96Å; C67-Y71 VanDerWaalsContact O-CB 3.31Å; C67-Y71 WeakPolarHBondContact O-CB 3.33Å; C67-Y71 PolarHBondContact O-N 3.49Å |
| 68 | C | 93.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 14% | 0.135 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -178.3 | -74.5 | 0 | 0 | 0 | 0 | 111.8 | F64 Y71 K72 M77 | F64-C68 WeakPolarHBondContact CE2-SG 3.33Å; F64-C68 WeakPolarHBondContact CZ-SG 3.42Å; F64-C68 VanDerWaalsContact O-CB 3.31Å; F64-C68 WeakPolarHBondContact O-CB 3.27Å; F64-C68 PolarHBondContact O-N 2.91Å; F64-C68 PolarHBondContact O-SG 3.44Å; C68-Y71 PolarHBondContact O-N 2.85Å; C68-K72 VanDerWaalsContact O-CB 3.22Å; C68-K72 WeakPolarHBondContact O-CB 3.45Å; C68-K72 WeakPolarHBondContact O-CG 3.33Å; C68-K72 PolarHBondContact O-N 2.94Å; C68-M77 HydrophobicContact CB-SD 3.92Å |
| 69 | G | 91.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L65 E73 S74 | L65-G69 WeakPolarHBondContact O-CA 3.48Å; L65-G69 PolarHBondContact O-N 2.87Å; G69-E73 WeakPolarHBondContact O-CA 3.35Å; G69-E73 PolarHBondContact O-N 2.96Å; G69-S74 PolarHBondContact O-N 3.44Å; G69-S74 VanDerWaalsContact O-N 3.16Å |
| 70 | A | 91.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K8 L11 F12 G66 C67 E73 L213 | K8-A70 WeakPolarHBondContact CE-O 3.3Å; L11-A70 HydrophobicContact CD2-CB 4.32Å; F12-A70 HydrophobicContact CB-CB 4.32Å; G66-A70 WeakPolarHBondContact O-CB 3.43Å; G66-A70 PolarHBondContact O-N 3.45Å; C67-A70 PolarHBondContact O-N 2.96Å; A70-E73 PolarHBondContact O-N 2.94Å; A70-L213 HydrophobicContact CB-CD1 4.46Å |
| 71 | Y | 90.4 | Very high | 93.4 | Very high | 165 Ų | 165 | 47.2 Ų | 47.2 | 65% | 0.647 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.6 | -52.2 | -176.3 | -179.7 | -101.8 | 0 | 0 | 0 | 112.5 | C67 C68 E73 | C67-Y71 VanDerWaalsContact O-CB 3.31Å; C67-Y71 WeakPolarHBondContact O-CB 3.33Å; C67-Y71 PolarHBondContact O-N 3.49Å; C68-Y71 PolarHBondContact O-N 2.85Å; Y71-E73 PolarHBondContact O-N 3.28Å |
| 72 | K | 89.5 | Confident | 93.5 | Very high | 134 Ų | 134 | 46.5 Ų | 46.5 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.4 | -178.9 | -62.3 | -174.1 | 175.2 | -178.9 | 0 | 113.4 | C68 S74 | C68-K72 VanDerWaalsContact O-CB 3.22Å; C68-K72 WeakPolarHBondContact O-CB 3.45Å; C68-K72 WeakPolarHBondContact O-CG 3.33Å; C68-K72 PolarHBondContact O-N 2.94Å; K72-S74 PolarHBondContact O-N 2.95Å |
| 73 | E | 89.9 | Confident | 93.5 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.8 | -172.6 | -63.3 | -178 | -174 | 0 | 0 | 111.8 | K8 G69 A70 Y71 I217 K220 | K8-E73 IonicContact NZ-OE1 2.84Å; K8-E73 PolarHBondContact NZ-OE1 3.32Å; G69-E73 WeakPolarHBondContact O-CA 3.35Å; G69-E73 PolarHBondContact O-N 2.96Å; A70-E73 PolarHBondContact O-N 2.94Å; Y71-E73 PolarHBondContact O-N 3.28Å; E73-I217 HydrophobicContact CB-CD1 3.86Å; E73-I217 HydrophobicContact CB-CG1 4.07Å; E73-I217 HydrophobicContact CB-CG2 4.47Å; E73-I217 HydrophobicContact CG-CD1 4.31Å; E73-I217 HydrophobicContact CG-CG1 4.42Å; E73-I217 WeakPolarHBondContact O-CG2 3.4Å; E73-K220 IonicContact OE2-NZ 3.45Å; E73-K220 PolarHBondContact OE2-NZ 3.34Å |
| 74 | S | 92.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 26% | 0.259 | 26% | 0.26 | S | S | . | . | trans | -89.2 | 112.4 | -176.6 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | G69 K72 C76 M77 L78 | G69-S74 PolarHBondContact O-N 3.44Å; G69-S74 VanDerWaalsContact O-N 3.16Å; K72-S74 PolarHBondContact O-N 2.95Å; S74-C76 VanDerWaalsContact C-N 3.33Å; S74-C76 PolarHBondContact O-N 3.2Å; S74-M77 PolarHBondContact O-N 3.46Å; S74-L78 WeakPolarHBondContact O-CG 3.29Å; S74-L78 PolarHBondContact O-N 3.5Å; S74-L78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | R | 91.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -41.4 | 179.1 | -66.4 | -170.3 | 113.1 | -166.1 | -1.1 | 112.7 | L78 L79 Y214 I217 G218 | R75-L78 PolarHBondContact O-N 2.93Å; R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 PolarHBondContact O-N 2.92Å; R75-Y214 HydrophobicContact CB-CD2 3.86Å; R75-Y214 HydrophobicContact CB-CE2 3.6Å; R75-Y214 HydrophobicContact CG-CD2 4.29Å; R75-Y214 HydrophobicContact CG-CE2 4.27Å; R75-Y214 PolarHBondContact NE-O 3.05Å; R75-Y214 PolarHBondContact NH2-O 2.72Å; R75-Y214 WeakPolarHBondContact O-CD2 3.43Å; R75-Y214 WeakPolarHBondContact O-CE2 3.23Å; R75-I217 HydrophobicContact CG-CB 4.18Å; R75-I217 HydrophobicContact CG-CG2 3.52Å; R75-G218 VanDerWaalsContact CZ-N 3.27Å; R75-G218 VanDerWaalsContact NE-N 3.18Å; R75-G218 VanDerWaalsContact NH2-N 3.16Å |
| 76 | C | 93.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 50 Ų | 50 | 58% | 0.581 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -47.5 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | S74 L78 L79 V80 | S74-C76 VanDerWaalsContact C-N 3.33Å; S74-C76 PolarHBondContact O-N 3.2Å; C76-L78 PolarHBondContact O-N 3.42Å; C76-L79 PolarHBondContact O-N 3.22Å; C76-V80 WeakPolarHBondContact O-CG2 3.5Å; C76-V80 PolarHBondContact O-N 2.95Å |
| 77 | M | 94.1 | Very high | 94 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 28% | 0.281 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 179.1 | -69.6 | 176.3 | 172.3 | 0 | 0 | 112.6 | C68 S74 L79 V80 F81 | C68-M77 HydrophobicContact CB-SD 3.92Å; S74-M77 PolarHBondContact O-N 3.46Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-V80 PolarHBondContact O-N 3.27Å; M77-F81 WeakPolarHBondContact O-CB 3.46Å; M77-F81 PolarHBondContact O-N 3.4Å |
| 78 | L | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.4 | -72.2 | 173 | 0 | 0 | 0 | 112.4 | L11 S74 R75 C76 F81 F82 S210 L213 I217 | L11-L78 HydrophobicContact CD2-CD2 4.23Å; S74-L78 WeakPolarHBondContact O-CG 3.29Å; S74-L78 PolarHBondContact O-N 3.5Å; S74-L78 VanDerWaalsContact O-N 3.1Å; R75-L78 PolarHBondContact O-N 2.93Å; C76-L78 PolarHBondContact O-N 3.42Å; L78-F81 PolarHBondContact O-N 3.23Å; L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.27Å; L78-S210 PolarHBondContact O-OG 2.95Å; L78-L213 HydrophobicContact CD1-CB 3.99Å; L78-I217 HydrophobicContact CD1-CD1 3.51Å |
| 79 | L | 94.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 176 | -173.8 | 69.3 | 0 | 0 | 0 | 111.1 | R75 C76 M77 F81 F82 V83 Y214 | R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 PolarHBondContact O-N 2.92Å; C76-L79 PolarHBondContact O-N 3.22Å; M77-L79 VanDerWaalsContact C-N 3.34Å; L79-F81 VanDerWaalsContact C-N 3.34Å; L79-F81 PolarHBondContact O-N 2.88Å; L79-F82 WeakPolarHBondContact O-CB 3.33Å; L79-F82 PolarHBondContact O-N 2.94Å; L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.42Å; L79-Y214 HydrophobicContact CB-CD2 4.42Å; L79-Y214 HydrophobicContact CB-CE2 4.13Å |
| 80 | V | 96.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L65 C76 M77 F82 V83 F84 | L65-V80 HydrophobicContact CD1-CG1 3.96Å; C76-V80 WeakPolarHBondContact O-CG2 3.5Å; C76-V80 PolarHBondContact O-N 2.95Å; M77-V80 PolarHBondContact O-N 3.27Å; V80-F82 PolarHBondContact O-N 3.35Å; V80-V83 PolarHBondContact O-N 2.98Å; V80-F84 HydrophobicContact CG1-CD2 3.71Å; V80-F84 HydrophobicContact CG1-CE2 3.5Å; V80-F84 VanDerWaalsContact CG1-CE2 3.5Å; V80-F84 VanDerWaalsContact O-CD2 3.24Å; V80-F84 WeakPolarHBondContact O-CD2 3.39Å; V80-F84 PolarHBondContact O-N 3.26Å |
| 81 | F | 95.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 2% | 0.022 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 173.8 | 172.7 | -105.2 | 0 | 0 | 0 | 112.1 | N15 I62 L65 M77 L78 L79 V83 F84 L85 | N15-F81 WeakPolarHBondContact OD1-CE2 3.45Å; N15-F81 VanDerWaalsContact OD1-CZ 3.23Å; N15-F81 WeakPolarHBondContact OD1-CZ 3.31Å; I62-F81 HydrophobicContact CG2-CD2 3.76Å; I62-F81 HydrophobicContact CG2-CE2 3.61Å; I62-F81 WeakPolarHBondContact O-CD2 3.31Å; L65-F81 HydrophobicContact CB-CB 4.42Å; M77-F81 WeakPolarHBondContact O-CB 3.46Å; M77-F81 PolarHBondContact O-N 3.4Å; L78-F81 PolarHBondContact O-N 3.23Å; L79-F81 VanDerWaalsContact C-N 3.34Å; L79-F81 PolarHBondContact O-N 2.88Å; F81-V83 PolarHBondContact O-N 3.45Å; F81-F84 PolarHBondContact O-N 2.92Å; F81-L85 HydrophobicContact CD1-CD1 4.18Å; F81-L85 HydrophobicContact CE1-CD1 3.49Å; F81-L85 VanDerWaalsContact CE1-CD1 3.49Å; F81-L85 HydrophobicContact CE1-CG 4.23Å; F81-L85 HydrophobicContact CE2-CD1 4.12Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.16Å; F81-L85 HydrophobicContact CZ-CD1 3.47Å; F81-L85 VanDerWaalsContact CZ-CD1 3.47Å; F81-L85 HydrophobicContact CZ-CD2 4.26Å; F81-L85 HydrophobicContact CZ-CG 4.02Å; F81-L85 WeakPolarHBondContact O-CG 3.36Å; F81-L85 PolarHBondContact O-N 3.38Å |
| 82 | F | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 176.7 | 173.9 | -89.2 | 0 | 0 | 0 | 112.4 | L78 L79 V80 F84 L85 L86 M207 | L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.27Å; L79-F82 WeakPolarHBondContact O-CB 3.33Å; L79-F82 PolarHBondContact O-N 2.94Å; V80-F82 PolarHBondContact O-N 3.35Å; F82-F84 VanDerWaalsContact C-N 3.35Å; F82-F84 PolarHBondContact O-N 2.79Å; F82-L85 PolarHBondContact O-N 3.22Å; F82-L86 HydrophobicContact CE1-CD2 4.15Å; F82-L86 WeakPolarHBondContact O-CB 3.29Å; F82-L86 PolarHBondContact O-N 3.24Å; F82-M207 HydrophobicContact CD2-CB 3.9Å; F82-M207 HydrophobicContact CD2-CG 3.97Å; F82-M207 HydrophobicContact CE2-CB 3.77Å; F82-M207 HydrophobicContact CE2-CG 4Å; F82-M207 HydrophobicContact CE2-SD 4.32Å |
| 83 | V | 97.4 | Very high | 95.1 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 179 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L79 V80 F81 L86 L87 | L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.42Å; V80-V83 PolarHBondContact O-N 2.98Å; F81-V83 PolarHBondContact O-N 3.45Å; V83-L86 PolarHBondContact O-N 3.4Å; V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 HydrophobicContact CG1-CG 4.41Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 2.91Å |
| 84 | F | 96.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.4 | -82.3 | -66.4 | 0 | 0 | 0 | 112.7 | I62 L65 V80 F81 F82 L86 L87 I88 | I62-F84 HydrophobicContact CD1-CB 4.13Å; I62-F84 HydrophobicContact CG1-CB 4.21Å; I62-F84 HydrophobicContact CG1-CG 4.43Å; L65-F84 HydrophobicContact CD1-CD2 4.24Å; L65-F84 HydrophobicContact CD1-CE2 4.22Å; V80-F84 HydrophobicContact CG1-CD2 3.71Å; V80-F84 HydrophobicContact CG1-CE2 3.5Å; V80-F84 VanDerWaalsContact CG1-CE2 3.5Å; V80-F84 VanDerWaalsContact O-CD2 3.24Å; V80-F84 WeakPolarHBondContact O-CD2 3.39Å; V80-F84 PolarHBondContact O-N 3.26Å; F81-F84 PolarHBondContact O-N 2.92Å; F82-F84 VanDerWaalsContact C-N 3.35Å; F82-F84 PolarHBondContact O-N 2.79Å; F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 2.9Å; F84-L87 PolarHBondContact O-N 3.42Å; F84-I88 WeakPolarHBondContact O-CG1 3.38Å; F84-I88 PolarHBondContact O-N 2.89Å |
| 85 | L | 96.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.1 | -66.6 | -170.6 | 0 | 0 | 0 | 112 | I62 F81 F82 I88 F89 L203 M207 | I62-L85 HydrophobicContact CG2-CD2 4.1Å; F81-L85 HydrophobicContact CD1-CD1 4.18Å; F81-L85 HydrophobicContact CE1-CD1 3.49Å; F81-L85 VanDerWaalsContact CE1-CD1 3.49Å; F81-L85 HydrophobicContact CE1-CG 4.23Å; F81-L85 HydrophobicContact CE2-CD1 4.12Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.16Å; F81-L85 HydrophobicContact CZ-CD1 3.47Å; F81-L85 VanDerWaalsContact CZ-CD1 3.47Å; F81-L85 HydrophobicContact CZ-CD2 4.26Å; F81-L85 HydrophobicContact CZ-CG 4.02Å; F81-L85 WeakPolarHBondContact O-CG 3.36Å; F81-L85 PolarHBondContact O-N 3.38Å; F82-L85 PolarHBondContact O-N 3.22Å; L85-I88 PolarHBondContact O-N 3.43Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 2.93Å; L85-L203 HydrophobicContact CD2-CD2 3.76Å; L85-M207 HydrophobicContact CB-CG 3.62Å; L85-M207 HydrophobicContact CB-SD 4.29Å; L85-M207 HydrophobicContact CD1-CG 4.02Å |
| 86 | L | 97.2 | Very high | 95.2 | Very high | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.6 | -178.7 | 64.3 | 0 | 0 | 0 | 111.6 | F82 V83 F84 F89 I90 M207 | F82-L86 HydrophobicContact CE1-CD2 4.15Å; F82-L86 WeakPolarHBondContact O-CB 3.29Å; F82-L86 PolarHBondContact O-N 3.24Å; V83-L86 PolarHBondContact O-N 3.4Å; F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 3.3Å; L86-I90 HydrophobicContact CD1-CD1 4.28Å; L86-I90 HydrophobicContact CG-CD1 4.08Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.45Å; L86-M207 HydrophobicContact CB-SD 3.99Å; L86-M207 HydrophobicContact CD1-SD 4.07Å |
| 87 | L | 97.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 62 Ų | 62 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.6 | -71.6 | 174.6 | 0 | 0 | 0 | 111.5 | V83 F84 F89 I90 L91 | V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 HydrophobicContact CG1-CG 4.41Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 2.91Å; F84-L87 PolarHBondContact O-N 3.42Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 2.88Å; L87-I90 PolarHBondContact O-N 2.9Å; L87-L91 WeakPolarHBondContact O-CG 3.32Å; L87-L91 PolarHBondContact O-N 2.85Å |
| 88 | I | 96 | Very high | 94.9 | Very high | 51 Ų | 51 | 64.7 Ų | 64.7 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.4 | -68.7 | 168.6 | 0 | 0 | 0 | 110.5 | I62 F84 L85 I90 L91 L92 L203 | I62-I88 HydrophobicContact CD1-CD1 3.43Å; I62-I88 VanDerWaalsContact CD1-CD1 3.43Å; F84-I88 WeakPolarHBondContact O-CG1 3.38Å; F84-I88 PolarHBondContact O-N 2.89Å; L85-I88 PolarHBondContact O-N 3.43Å; I88-I90 PolarHBondContact O-N 3.5Å; I88-L91 PolarHBondContact O-N 3.46Å; I88-L92 HydrophobicContact CG2-CD1 3.91Å; I88-L92 HydrophobicContact CG2-CG 4.27Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 3.49Å; I88-L203 HydrophobicContact CG2-CD1 3.89Å; I88-L203 HydrophobicContact CG2-CD2 4.28Å |
| 89 | F | 96.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 178.4 | -177.3 | -102.7 | 0 | 0 | 0 | 112.1 | L85 L86 L87 L91 L92 L93 A200 L203 L204 M207 | L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 2.93Å; L86-F89 PolarHBondContact O-N 3.3Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 2.88Å; F89-L91 PolarHBondContact O-N 3.03Å; F89-L92 PolarHBondContact O-N 3.43Å; F89-L93 HydrophobicContact CD1-CD1 3.85Å; F89-L93 HydrophobicContact CD1-CG 4.4Å; F89-L93 HydrophobicContact CE1-CD1 3.31Å; F89-L93 HydrophobicContact CE1-CG 4.07Å; F89-L93 HydrophobicContact CZ-CD1 3.7Å; F89-L93 HydrophobicContact CZ-CD2 4.36Å; F89-L93 HydrophobicContact CZ-CG 4.11Å; F89-L93 WeakPolarHBondContact O-CG 3.24Å; F89-L93 PolarHBondContact O-N 3.34Å; F89-A200 HydrophobicContact CE2-CB 4.25Å; F89-L203 HydrophobicContact CB-CD1 4.33Å; F89-L203 HydrophobicContact CD2-CB 4.43Å; F89-L203 HydrophobicContact CD2-CD1 4.37Å; F89-L204 HydrophobicContact CE2-CD1 4.45Å; F89-L204 HydrophobicContact CE2-CD2 4.19Å; F89-L204 HydrophobicContact CE2-CG 4.12Å; F89-L204 HydrophobicContact CZ-CD2 4.13Å; F89-L204 HydrophobicContact CZ-CG 4.49Å; F89-M207 HydrophobicContact CB-CE 4.11Å; F89-M207 HydrophobicContact CD1-CE 4.44Å; F89-M207 HydrophobicContact CD2-CE 4.39Å; F89-M207 HydrophobicContact CG-CE 4.07Å |
| 90 | I | 97.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 46% | 0.456 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.3 | -67.3 | 166.7 | 0 | 0 | 0 | 111 | L86 L87 I88 L93 A94 | L86-I90 HydrophobicContact CD1-CD1 4.28Å; L86-I90 HydrophobicContact CG-CD1 4.08Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.45Å; L87-I90 PolarHBondContact O-N 2.9Å; I88-I90 PolarHBondContact O-N 3.5Å; I90-L93 PolarHBondContact O-N 2.94Å; I90-A94 WeakPolarHBondContact O-CB 3.33Å; I90-A94 PolarHBondContact O-N 3.26Å |
| 91 | L | 95.6 | Very high | 93.8 | Very high | 124 Ų | 124 | 70.6 Ų | 70.6 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 177.4 | -72 | 173.2 | 0 | 0 | 0 | 112 | L87 I88 F89 A94 A95 | L87-L91 WeakPolarHBondContact O-CG 3.32Å; L87-L91 PolarHBondContact O-N 2.85Å; I88-L91 PolarHBondContact O-N 3.46Å; F89-L91 PolarHBondContact O-N 3.03Å; L91-A94 PolarHBondContact O-N 3.28Å; L91-A95 VanDerWaalsContact O-CB 3.29Å; L91-A95 WeakPolarHBondContact O-CB 3.36Å; L91-A95 PolarHBondContact O-N 3.34Å |
| 92 | L | 93.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 71 Ų | 71 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.6 | -73.3 | 174.5 | 0 | 0 | 0 | 111.9 | I88 F89 A95 G96 L203 | I88-L92 HydrophobicContact CG2-CD1 3.91Å; I88-L92 HydrophobicContact CG2-CG 4.27Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 3.49Å; F89-L92 PolarHBondContact O-N 3.43Å; L92-A95 PolarHBondContact O-N 3.33Å; L92-G96 PolarHBondContact O-N 3.02Å; L92-L203 HydrophobicContact CD1-CD1 3.52Å |
| 93 | L | 94.6 | Very high | 92.3 | Very high | 90 Ų | 90 | 74.2 Ų | 74.2 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.3 | -75.7 | -178.4 | 0 | 0 | 0 | 111.6 | F89 I90 G96 I97 | F89-L93 HydrophobicContact CD1-CD1 3.85Å; F89-L93 HydrophobicContact CD1-CG 4.4Å; F89-L93 HydrophobicContact CE1-CD1 3.31Å; F89-L93 HydrophobicContact CE1-CG 4.07Å; F89-L93 HydrophobicContact CZ-CD1 3.7Å; F89-L93 HydrophobicContact CZ-CD2 4.36Å; F89-L93 HydrophobicContact CZ-CG 4.11Å; F89-L93 WeakPolarHBondContact O-CG 3.24Å; F89-L93 PolarHBondContact O-N 3.34Å; I90-L93 PolarHBondContact O-N 2.94Å; L93-G96 PolarHBondContact O-N 3.46Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.98Å |
| 94 | A | 94.6 | Very high | 91.6 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I90 L91 G96 I97 L98 | I90-A94 WeakPolarHBondContact O-CB 3.33Å; I90-A94 PolarHBondContact O-N 3.26Å; L91-A94 PolarHBondContact O-N 3.28Å; A94-G96 PolarHBondContact O-N 2.93Å; A94-I97 PolarHBondContact O-N 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.27Å; A94-L98 WeakPolarHBondContact O-CG 3.27Å; A94-L98 PolarHBondContact O-N 3.27Å |
| 95 | A | 90.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L91 L92 L98 A99 | L91-A95 VanDerWaalsContact O-CB 3.29Å; L91-A95 WeakPolarHBondContact O-CB 3.36Å; L91-A95 PolarHBondContact O-N 3.34Å; L92-A95 PolarHBondContact O-N 3.33Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-A99 VanDerWaalsContact O-CB 3.32Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.91Å |
| 96 | G | 90.4 | Very high | 90.5 | Very high | 40 Ų | 40 | 79.2 Ų | 79.2 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L92 L93 A94 A99 A100 | L92-G96 PolarHBondContact O-N 3.02Å; L93-G96 PolarHBondContact O-N 3.46Å; A94-G96 PolarHBondContact O-N 2.93Å; G96-A99 PolarHBondContact O-N 3.44Å; G96-A100 WeakPolarHBondContact O-CB 3.33Å; G96-A100 PolarHBondContact O-N 3.5Å |
| 97 | I | 91.5 | Very high | 90.1 | Very high | 106 Ų | 106 | 78 Ų | 78 | 54% | 0.544 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 175.3 | -66.5 | 163.8 | 0 | 0 | 0 | 110.4 | L93 A94 A99 A100 I101 | L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.98Å; A94-I97 PolarHBondContact O-N 3.31Å; I97-A99 VanDerWaalsContact C-N 3.32Å; I97-A99 PolarHBondContact O-N 2.9Å; I97-A100 PolarHBondContact O-N 3.02Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.47Å; I97-I101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 90.3 | Very high | 89.7 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 178.9 | -73.3 | 173.7 | 0 | 0 | 0 | 112.4 | A94 A95 G102 | A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.27Å; A94-L98 WeakPolarHBondContact O-CG 3.27Å; A94-L98 PolarHBondContact O-N 3.27Å; A95-L98 PolarHBondContact O-N 2.9Å; L98-G102 VanDerWaalsContact O-CA 3.31Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; L98-G102 PolarHBondContact O-N 3.41Å |
| 99 | A | 86.6 | Confident | 89.3 | Confident | 51 Ų | 51 | 83.9 Ų | 83.9 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A95 G96 I97 I101 G102 | A95-A99 VanDerWaalsContact O-CB 3.32Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.91Å; G96-A99 PolarHBondContact O-N 3.44Å; I97-A99 VanDerWaalsContact C-N 3.32Å; I97-A99 PolarHBondContact O-N 2.9Å; A99-I101 PolarHBondContact O-N 3.37Å; A99-G102 PolarHBondContact O-N 3.01Å |
| 100 | A | 85.7 | Confident | 88.8 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G96 I97 | G96-A100 WeakPolarHBondContact O-CB 3.33Å; G96-A100 PolarHBondContact O-N 3.5Å; I97-A100 PolarHBondContact O-N 3.02Å |
| 101 | I | 89.6 | Confident | 88.5 | Confident | 133 Ų | 133 | 82.6 Ų | 82.6 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -88.1 | -11 | 178.5 | 70 | -177.4 | 0 | 0 | 0 | 113.1 | I97 A99 | I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.47Å; I97-I101 VanDerWaalsContact O-N 3.08Å; A99-I101 PolarHBondContact O-N 3.37Å |
| 102 | G | 84.3 | Confident | 88.2 | Confident | 12 Ų | 12 | 82.8 Ų | 82.8 | 12% | 0.124 | 46% | 0.461 | C | S | . | . | trans | -112.9 | 20 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115 | L98 A99 G104 K105 V106 | L98-G102 VanDerWaalsContact O-CA 3.31Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; L98-G102 PolarHBondContact O-N 3.41Å; A99-G102 PolarHBondContact O-N 3.01Å; G102-G104 PolarHBondContact O-N 3.47Å; G102-G104 VanDerWaalsContact O-N 3.1Å; G102-K105 WeakPolarHBondContact O-CA 3.36Å; G102-K105 WeakPolarHBondContact O-CB 3.45Å; G102-K105 PolarHBondContact O-N 3.23Å; G102-V106 PolarHBondContact O-N 3.39Å | ||
| 103 | E | 77.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 82.6 Ų | 82.6 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -48 | -44 | -173.9 | -67.5 | -169.9 | 171.9 | 0 | 0 | 113.5 | K105 V106 N107 | E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 2.99Å; E103-V106 PolarHBondContact O-N 3.03Å; E103-N107 VanDerWaalsContact O-CG 3.31Å; E103-N107 PolarHBondContact O-N 3.35Å; E103-N107 PolarHBondContact O-ND2 2.97Å |
| 104 | G | 82.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G102 N107 D108 | G102-G104 PolarHBondContact O-N 3.47Å; G102-G104 VanDerWaalsContact O-N 3.1Å; G104-N107 PolarHBondContact O-N 2.88Å; G104-D108 VanDerWaalsContact O-CG 3.27Å; G104-D108 PolarHBondContact O-N 3Å |
| 105 | K | 85.8 | Confident | 87.3 | Confident | 169 Ų | 169 | 81 Ų | 81 | 74% | 0.735 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -70 | -34 | 177.9 | -66 | -177.7 | 178.2 | 176.5 | 0 | 112.4 | G102 E103 W109 | G102-K105 WeakPolarHBondContact O-CA 3.36Å; G102-K105 WeakPolarHBondContact O-CB 3.45Å; G102-K105 PolarHBondContact O-N 3.23Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 2.99Å; K105-W109 WeakPolarHBondContact O-CB 3.32Å; K105-W109 PolarHBondContact O-N 3.48Å |
| 106 | V | 83.7 | Confident | 87.1 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | G102 E103 D108 W109 I110 | G102-V106 PolarHBondContact O-N 3.39Å; E103-V106 PolarHBondContact O-N 3.03Å; V106-D108 PolarHBondContact O-N 3.33Å; V106-W109 PolarHBondContact O-N 3.43Å; V106-I110 HydrophobicContact CG1-CD1 4.07Å; V106-I110 WeakPolarHBondContact O-CG1 2.99Å; V106-I110 PolarHBondContact O-N 2.87Å |
| 107 | N | 87.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.214 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 177.3 | -63.9 | -15.5 | 0 | 0 | 0 | 111.6 | E103 G104 W109 I110 K111 I182 | E103-N107 VanDerWaalsContact O-CG 3.31Å; E103-N107 PolarHBondContact O-N 3.35Å; E103-N107 PolarHBondContact O-ND2 2.97Å; G104-N107 PolarHBondContact O-N 2.88Å; N107-W109 VanDerWaalsContact C-N 3.32Å; N107-W109 PolarHBondContact O-N 3.26Å; N107-I110 PolarHBondContact O-N 3.4Å; N107-K111 VanDerWaalsContact O-CB 3.3Å; N107-K111 WeakPolarHBondContact O-CB 3.25Å; N107-K111 PolarHBondContact O-N 2.86Å; N107-I182 HydrophobicContact CB-CD1 4.42Å; N107-I182 WeakPolarHBondContact OD1-CD1 3.44Å |
| 108 | D | 89.8 | Confident | 86.5 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | 176.2 | -72.2 | -21.3 | 0 | 0 | 0 | 112.3 | G104 V106 K111 K112 | G104-D108 VanDerWaalsContact O-CG 3.27Å; G104-D108 PolarHBondContact O-N 3Å; V106-D108 PolarHBondContact O-N 3.33Å; D108-K111 PolarHBondContact O-N 2.89Å; D108-K112 WeakPolarHBondContact O-CB 3.44Å; D108-K112 PolarHBondContact O-N 2.92Å |
| 109 | W | 85.9 | Confident | 86.3 | Confident | 163 Ų | 163 | 76.7 Ų | 76.7 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 176.6 | -178.5 | 86.6 | 0 | 0 | 0 | 111.7 | K105 V106 N107 K111 K112 K113 | K105-W109 WeakPolarHBondContact O-CB 3.32Å; K105-W109 PolarHBondContact O-N 3.48Å; V106-W109 PolarHBondContact O-N 3.43Å; N107-W109 VanDerWaalsContact C-N 3.32Å; N107-W109 PolarHBondContact O-N 3.26Å; W109-K111 VanDerWaalsContact C-N 3.34Å; W109-K112 PolarHBondContact O-N 2.92Å; W109-K113 HydrophobicContact CD2-CG 4.18Å; W109-K113 HydrophobicContact CE3-CG 4.46Å; W109-K113 HydrophobicContact CH2-CG 4.27Å; W109-K113 HydrophobicContact CZ2-CG 3.98Å; W109-K113 WeakPolarHBondContact O-CG 3.3Å; W109-K113 PolarHBondContact O-N 2.86Å |
| 110 | I | 87.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 175.5 | -68.5 | 169.7 | 0 | 0 | 0 | 109.8 | V106 N107 K112 K113 L114 Y178 I181 I182 M185 | V106-I110 HydrophobicContact CG1-CD1 4.07Å; V106-I110 WeakPolarHBondContact O-CG1 2.99Å; V106-I110 PolarHBondContact O-N 2.87Å; N107-I110 PolarHBondContact O-N 3.4Å; I110-K112 PolarHBondContact O-N 3.4Å; I110-K113 PolarHBondContact O-N 3.28Å; I110-K113 VanDerWaalsContact O-N 3.12Å; I110-L114 HydrophobicContact CG2-CD1 4Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CG 3.32Å; I110-L114 PolarHBondContact O-N 3.45Å; I110-Y178 HydrophobicContact CG2-CD2 4.16Å; I110-Y178 HydrophobicContact CG2-CE2 4.35Å; I110-I181 HydrophobicContact CG2-CG2 4.39Å; I110-I182 HydrophobicContact CD1-CD1 3.93Å; I110-M185 HydrophobicContact CD1-CE 3.23Å; I110-M185 HydrophobicContact CD1-SD 3.86Å |
| 111 | K | 90.3 | Very high | 86.1 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53.9 | -52.8 | 178.3 | -175.7 | 178.5 | 176.9 | -177.4 | 0 | 111.1 | N107 D108 W109 K113 L114 E115 M144 Y178 | N107-K111 VanDerWaalsContact O-CB 3.3Å; N107-K111 WeakPolarHBondContact O-CB 3.25Å; N107-K111 PolarHBondContact O-N 2.86Å; D108-K111 PolarHBondContact O-N 2.89Å; W109-K111 VanDerWaalsContact C-N 3.34Å; K111-K113 VanDerWaalsContact C-N 3.28Å; K111-K113 PolarHBondContact O-N 3.2Å; K111-L114 PolarHBondContact O-N 3.42Å; K111-E115 WeakPolarHBondContact CE-OE1 3.33Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 3.5Å; K111-M144 HydrophobicContact CD-CE 4.17Å; K111-M144 HydrophobicContact CG-CE 3.54Å; K111-M144 HydrophobicContact CG-SD 4.35Å; K111-Y178 HydrophobicContact CB-CD2 4.46Å; K111-Y178 HydrophobicContact CB-CE2 3.89Å |
| 112 | K | 89.7 | Confident | 85.9 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59 | -39.8 | 178.7 | -174.6 | 177.8 | 177.5 | 179.6 | 0 | 112.2 | D108 W109 I110 E115 E116 | D108-K112 WeakPolarHBondContact O-CB 3.44Å; D108-K112 PolarHBondContact O-N 2.92Å; W109-K112 PolarHBondContact O-N 2.92Å; I110-K112 PolarHBondContact O-N 3.4Å; K112-E115 PolarHBondContact O-N 2.91Å; K112-E116 WeakPolarHBondContact O-CG 3.41Å; K112-E116 PolarHBondContact O-N 3.22Å |
| 113 | K | 85.9 | Confident | 85.9 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 178.1 | -73.5 | -60.9 | 176.6 | -164.6 | 0 | 113.6 | W109 I110 K111 E116 | W109-K113 HydrophobicContact CD2-CG 4.18Å; W109-K113 HydrophobicContact CE3-CG 4.46Å; W109-K113 HydrophobicContact CH2-CG 4.27Å; W109-K113 HydrophobicContact CZ2-CG 3.98Å; W109-K113 WeakPolarHBondContact O-CG 3.3Å; W109-K113 PolarHBondContact O-N 2.86Å; I110-K113 PolarHBondContact O-N 3.28Å; I110-K113 VanDerWaalsContact O-N 3.12Å; K111-K113 VanDerWaalsContact C-N 3.28Å; K111-K113 PolarHBondContact O-N 3.2Å; K113-E116 WeakPolarHBondContact CD-OE2 3.27Å; K113-E116 IonicContact NZ-OE1 3.37Å; K113-E116 IonicContact NZ-OE2 3.74Å; K113-E116 PolarHBondContact NZ-OE2 3Å |
| 114 | L | 88.7 | Confident | 86.2 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 173.8 | -65.7 | -178.9 | 0 | 0 | 0 | 111.5 | I110 K111 E116 L117 L143 M144 Y178 I181 | I110-L114 HydrophobicContact CG2-CD1 4Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CG 3.32Å; I110-L114 PolarHBondContact O-N 3.45Å; K111-L114 PolarHBondContact O-N 3.42Å; L114-E116 PolarHBondContact O-N 2.9Å; L114-L117 WeakPolarHBondContact O-CB 2.91Å; L114-L117 PolarHBondContact O-N 2.97Å; L114-L117 VanDerWaalsContact O-N 3.15Å; L114-L143 HydrophobicContact CB-CB 4.42Å; L114-L143 HydrophobicContact CD2-CD2 4.24Å; L114-M144 HydrophobicContact CB-CG 4.4Å; L114-M144 HydrophobicContact CB-SD 3.94Å; L114-M144 HydrophobicContact CD1-SD 4.49Å; L114-Y178 HydrophobicContact CD1-CD2 4.01Å; L114-Y178 HydrophobicContact CD1-CG 4.41Å; L114-I181 HydrophobicContact CD1-CD1 3.9Å; L114-I181 HydrophobicContact CD2-CD1 4.42Å |
| 115 | E | 88.9 | Confident | 86.2 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 174.1 | -74.6 | 175.9 | 176 | 0 | 0 | 112.2 | K111 K112 L117 T118 M144 | K111-E115 WeakPolarHBondContact CE-OE1 3.33Å; K111-E115 WeakPolarHBondContact O-CG 3.39Å; K111-E115 PolarHBondContact O-N 3.5Å; K112-E115 PolarHBondContact O-N 2.91Å; E115-L117 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact O-N 3.14Å; E115-T118 PolarHBondContact O-N 2.85Å; E115-T118 PolarHBondContact O-OG1 3.48Å; E115-M144 HydrophobicContact CG-CE 3.94Å; E115-M144 HydrophobicContact CG-CG 3.98Å; E115-M144 HydrophobicContact CG-SD 4.2Å |
| 116 | E | 86.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -21.8 | 174.4 | -78.6 | 172.1 | -167.5 | 0 | 0 | 113.4 | K112 K113 L114 | K112-E116 WeakPolarHBondContact O-CG 3.41Å; K112-E116 PolarHBondContact O-N 3.22Å; K113-E116 WeakPolarHBondContact CD-OE2 3.27Å; K113-E116 IonicContact NZ-OE1 3.37Å; K113-E116 IonicContact NZ-OE2 3.74Å; K113-E116 PolarHBondContact NZ-OE2 3Å; L114-E116 PolarHBondContact O-N 2.9Å |
| 117 | L | 84.6 | Confident | 85.8 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -6.3 | 176.7 | -63.5 | 173.2 | 0 | 0 | 0 | 113.1 | L114 E115 P119 Q123 V127 L143 | L114-L117 WeakPolarHBondContact O-CB 2.91Å; L114-L117 PolarHBondContact O-N 2.97Å; L114-L117 VanDerWaalsContact O-N 3.15Å; E115-L117 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact O-N 3.14Å; L117-P119 CarbonylContact O-C 3.55Å; L117-Q123 WeakPolarHBondContact O-CG 3.41Å; L117-Q123 PolarHBondContact O-NE2 2.88Å; L117-V127 HydrophobicContact CD2-CG1 4.26Å; L117-L143 HydrophobicContact CB-CD1 3.65Å; L117-L143 HydrophobicContact CD1-CD1 4.28Å |
| 118 | T | 84.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | trans | -94.8 | 143.3 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 112 | E115 I120 L143 | E115-T118 PolarHBondContact O-N 2.85Å; E115-T118 PolarHBondContact O-OG1 3.48Å; T118-I120 HydrophobicContact CG2-CG1 4.45Å; T118-L143 HydrophobicContact CG2-CB 4.42Å; T118-L143 HydrophobicContact CG2-CD1 4.27Å | ||
| 119 | P | 86.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | S | Bend | cis | -74.1 | 138 | -1.7 | 31.8 | -34.7 | 0 | 0 | 0 | 111.9 | L117 S121 N122 | L117-P119 CarbonylContact O-C 3.55Å; P119-S121 PolarHBondContact O-N 3.33Å; P119-N122 HydrophobicContact CG-CB 4.25Å; P119-N122 WeakPolarHBondContact CG-ND2 3.21Å; P119-N122 PolarHBondContact O-N 2.96Å; P119-N122 VanDerWaalsContact O-N 3.14Å |
| 120 | I | 85.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -62.4 | -30.6 | -173.3 | -52.3 | 169.9 | 0 | 0 | 0 | 111.2 | T118 N122 Q123 I128 I131 L143 D149 W150 | T118-I120 HydrophobicContact CG2-CG1 4.45Å; I120-N122 PolarHBondContact O-N 3.45Å; I120-Q123 WeakPolarHBondContact O-CB 3.48Å; I120-Q123 PolarHBondContact O-N 3.29Å; I120-Q123 VanDerWaalsContact O-N 3.09Å; I120-I128 HydrophobicContact CG2-CG1 4.46Å; I120-I131 HydrophobicContact CG2-CD1 3.69Å; I120-L143 HydrophobicContact CD1-CD1 4.3Å; I120-L143 HydrophobicContact CD1-CG 3.89Å; I120-L143 HydrophobicContact CG1-CD1 4.11Å; I120-L143 HydrophobicContact CG1-CG 4.26Å; I120-D149 HydrophobicContact CD1-CB 3.74Å; I120-D149 HydrophobicContact CG1-CB 4.46Å; I120-W150 HydrophobicContact CB-CE3 4.32Å; I120-W150 HydrophobicContact CB-CH2 4.23Å; I120-W150 HydrophobicContact CB-CZ3 4.07Å; I120-W150 HydrophobicContact CD1-CD2 4.28Å; I120-W150 HydrophobicContact CD1-CZ2 4.05Å; I120-W150 HydrophobicContact CG2-CE3 4.2Å; I120-W150 HydrophobicContact CG2-CH2 3.29Å; I120-W150 HydrophobicContact CG2-CZ2 3.86Å; I120-W150 HydrophobicContact CG2-CZ3 3.48Å; I120-W150 VanDerWaalsContact CG2-CZ3 3.48Å |
| 121 | S | 82.1 | Confident | 85.6 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -61.6 | -23.1 | 178.8 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | P119 Q123 | P119-S121 PolarHBondContact O-N 3.33Å; S121-Q123 VanDerWaalsContact C-N 3.35Å |
| 122 | N | 85.5 | Confident | 85.6 | Confident | 129 Ų | 129 | 57.9 Ų | 57.9 | 69% | 0.69 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -90.3 | -3 | 179.1 | -70.1 | -8.6 | 0 | 0 | 0 | 112.7 | P119 I120 | P119-N122 HydrophobicContact CG-CB 4.25Å; P119-N122 WeakPolarHBondContact CG-ND2 3.21Å; P119-N122 PolarHBondContact O-N 2.96Å; P119-N122 VanDerWaalsContact O-N 3.14Å; I120-N122 PolarHBondContact O-N 3.45Å |
| 123 | Q | 84.5 | Confident | 85.6 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -80 | 160.1 | -178.6 | -60.3 | -60.3 | -25.2 | 0 | 0 | 111.7 | L117 I120 S121 V127 I128 | L117-Q123 WeakPolarHBondContact O-CG 3.41Å; L117-Q123 PolarHBondContact O-NE2 2.88Å; I120-Q123 WeakPolarHBondContact O-CB 3.48Å; I120-Q123 PolarHBondContact O-N 3.29Å; I120-Q123 VanDerWaalsContact O-N 3.09Å; S121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-V127 HydrophobicContact CB-CB 4.13Å; Q123-V127 HydrophobicContact CB-CG1 3.99Å; Q123-V127 HydrophobicContact CG-CG1 4.27Å; Q123-I128 HydrophobicContact CB-CG1 4.09Å; Q123-I128 WeakPolarHBondContact O-CD1 3.49Å |
| 124 | K | 82.6 | Confident | 85.9 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | trans | -63.3 | 149.3 | 175.9 | -63.3 | 178.6 | -172.8 | 167.9 | 0 | 110.6 | I41 T42 E126 V127 I128 | I41-K124 WeakPolarHBondContact O-CE 3.33Å; I41-K124 PolarHBondContact O-NZ 3.04Å; T42-K124 PolarHBondContact OG1-NZ 2.92Å; K124-E126 PolarHBondContact O-N 3.03Å; K124-V127 HydrophobicContact CB-CG2 4.31Å; K124-V127 WeakPolarHBondContact O-CB 3.34Å; K124-V127 PolarHBondContact O-N 3.28Å; K124-I128 WeakPolarHBondContact O-CG1 3.48Å; K124-I128 PolarHBondContact O-N 2.96Å | ||
| 125 | P | 83.1 | Confident | 86 | Confident | 105 Ų | 105 | 55 Ų | 55 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -52.6 | -34.5 | 178.1 | -27 | 34.2 | 0 | 0 | 0 | 114.1 | I128 A129 | P125-I128 PolarHBondContact O-N 3.3Å; P125-A129 WeakPolarHBondContact O-CB 3.4Å; P125-A129 PolarHBondContact O-N 3.5Å |
| 126 | E | 79.2 | Confident | 86.1 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 177.1 | -62.5 | 168.8 | 179.3 | 0 | 0 | 112.5 | K36 K124 A129 D130 | K36-E126 WeakPolarHBondContact CB-OE2 3.43Å; K124-E126 PolarHBondContact O-N 3.03Å; E126-A129 PolarHBondContact O-N 3.39Å; E126-D130 PolarHBondContact O-N 3.5Å |
| 127 | V | 81.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L46 L117 Q123 K124 A129 D130 I131 | L46-V127 HydrophobicContact CD1-CG2 4.03Å; L117-V127 HydrophobicContact CD2-CG1 4.26Å; Q123-V127 HydrophobicContact CB-CB 4.13Å; Q123-V127 HydrophobicContact CB-CG1 3.99Å; Q123-V127 HydrophobicContact CG-CG1 4.27Å; K124-V127 HydrophobicContact CB-CG2 4.31Å; K124-V127 WeakPolarHBondContact O-CB 3.34Å; K124-V127 PolarHBondContact O-N 3.28Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.31Å; V127-D130 PolarHBondContact O-N 3.01Å; V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 VanDerWaalsContact O-CG1 3.29Å; V127-I131 WeakPolarHBondContact O-CG1 3.45Å; V127-I131 PolarHBondContact O-N 3.18Å |
| 128 | I | 85.9 | Confident | 86.6 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.3 | -64.9 | 178.8 | 0 | 0 | 0 | 109.9 | I120 Q123 K124 P125 D130 I131 E132 W150 | I120-I128 HydrophobicContact CG2-CG1 4.46Å; Q123-I128 HydrophobicContact CB-CG1 4.09Å; Q123-I128 WeakPolarHBondContact O-CD1 3.49Å; K124-I128 WeakPolarHBondContact O-CG1 3.48Å; K124-I128 PolarHBondContact O-N 2.96Å; P125-I128 PolarHBondContact O-N 3.3Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.37Å; I128-I131 WeakPolarHBondContact O-CB 3.41Å; I128-I131 PolarHBondContact O-N 3.45Å; I128-I131 VanDerWaalsContact O-N 3.17Å; I128-E132 HydrophobicContact CG2-CG 4.37Å; I128-E132 WeakPolarHBondContact O-CG 3.45Å; I128-E132 PolarHBondContact O-N 2.91Å; I128-W150 HydrophobicContact CG2-CH2 3.97Å; I128-W150 HydrophobicContact CG2-CZ3 4.24Å |
| 129 | A | 86.5 | Confident | 86.9 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | P125 E126 V127 E132 K133 | P125-A129 WeakPolarHBondContact O-CB 3.4Å; P125-A129 PolarHBondContact O-N 3.5Å; E126-A129 PolarHBondContact O-N 3.39Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.31Å; A129-E132 PolarHBondContact O-N 2.94Å; A129-K133 WeakPolarHBondContact O-CB 3.32Å; A129-K133 PolarHBondContact O-N 3.07Å |
| 130 | D | 85.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 175 | -72.3 | -23.6 | 0 | 0 | 0 | 111.4 | E126 V127 I128 K133 L134 | E126-D130 PolarHBondContact O-N 3.5Å; V127-D130 PolarHBondContact O-N 3.01Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.37Å; D130-K133 PolarHBondContact O-N 2.66Å; D130-L134 WeakPolarHBondContact O-CB 3.14Å; D130-L134 PolarHBondContact O-N 2.91Å |
| 131 | I | 89.7 | Confident | 87.7 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 173.5 | -67.7 | 165.8 | 0 | 0 | 0 | 111 | I120 V127 I128 K133 L134 Q135 L143 W150 | I120-I131 HydrophobicContact CG2-CD1 3.69Å; V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 VanDerWaalsContact O-CG1 3.29Å; V127-I131 WeakPolarHBondContact O-CG1 3.45Å; V127-I131 PolarHBondContact O-N 3.18Å; I128-I131 WeakPolarHBondContact O-CB 3.41Å; I128-I131 PolarHBondContact O-N 3.45Å; I128-I131 VanDerWaalsContact O-N 3.17Å; I131-K133 VanDerWaalsContact C-N 3.29Å; I131-K133 PolarHBondContact O-N 3.41Å; I131-L134 WeakPolarHBondContact O-CB 3.28Å; I131-L134 PolarHBondContact O-N 3.1Å; I131-Q135 HydrophobicContact CG2-CG 4.48Å; I131-Q135 WeakPolarHBondContact O-CB 3.19Å; I131-Q135 VanDerWaalsContact O-CG 3.3Å; I131-Q135 WeakPolarHBondContact O-CG 3.38Å; I131-Q135 PolarHBondContact O-N 3.47Å; I131-L143 HydrophobicContact CD1-CD1 4.19Å; I131-L143 HydrophobicContact CG1-CD2 4.38Å; I131-L143 HydrophobicContact CG2-CD2 4Å; I131-W150 HydrophobicContact CG2-CH2 4.49Å; I131-W150 HydrophobicContact CG2-CZ2 3.98Å |
| 132 | E | 90.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 177.3 | -73.5 | -168.9 | 168.2 | 0 | 0 | 111.9 | I128 A129 R136 W150 P154 S156 | I128-E132 HydrophobicContact CG2-CG 4.37Å; I128-E132 WeakPolarHBondContact O-CG 3.45Å; I128-E132 PolarHBondContact O-N 2.91Å; A129-E132 PolarHBondContact O-N 2.94Å; E132-R136 WeakPolarHBondContact O-CG 3.4Å; E132-R136 PolarHBondContact O-N 2.9Å; E132-W150 HydrophobicContact CG-CH2 4.47Å; E132-P154 HydrophobicContact CG-CB 4.33Å; E132-P154 HydrophobicContact CG-CG 4.45Å; E132-P154 WeakPolarHBondContact OE1-CB 3.47Å; E132-S156 WeakPolarHBondContact CG-OG 3.44Å; E132-S156 WeakPolarHBondContact O-CB 3.42Å |
| 133 | K | 90.3 | Very high | 88.6 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 173.1 | -177.3 | 179.6 | 170.9 | -174.2 | 0 | 111.2 | A129 D130 I131 Q135 R136 E137 | A129-K133 WeakPolarHBondContact O-CB 3.32Å; A129-K133 PolarHBondContact O-N 3.07Å; D130-K133 PolarHBondContact O-N 2.66Å; I131-K133 VanDerWaalsContact C-N 3.29Å; I131-K133 PolarHBondContact O-N 3.41Å; K133-Q135 VanDerWaalsContact C-N 3.3Å; K133-Q135 PolarHBondContact O-N 3.29Å; K133-R136 PolarHBondContact O-N 3.41Å; K133-R136 VanDerWaalsContact O-N 3.16Å; K133-E137 WeakPolarHBondContact CE-OE1 3.26Å; K133-E137 IonicContact NZ-OE1 2.75Å; K133-E137 PolarHBondContact O-N 2.91Å |
| 134 | L | 91 | Very high | 88.9 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 176.1 | -179.6 | 71.4 | 0 | 0 | 0 | 111.9 | D130 I131 R136 E137 L138 I181 | D130-L134 WeakPolarHBondContact O-CB 3.14Å; D130-L134 PolarHBondContact O-N 2.91Å; I131-L134 WeakPolarHBondContact O-CB 3.28Å; I131-L134 PolarHBondContact O-N 3.1Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.01Å; L134-E137 PolarHBondContact O-N 3.45Å; L134-L138 HydrophobicContact CD1-CD1 3.55Å; L134-L138 HydrophobicContact CD1-CG 4.09Å; L134-L138 HydrophobicContact CG-CD1 4.1Å; L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 PolarHBondContact O-N 3Å; L134-I181 HydrophobicContact CD2-CD1 4.28Å |
| 135 | Q | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 177.2 | -78.9 | 169.1 | -18.1 | 0 | 0 | 112.7 | I131 K133 M139 C140 S156 C177 | I131-Q135 HydrophobicContact CG2-CG 4.48Å; I131-Q135 WeakPolarHBondContact O-CB 3.19Å; I131-Q135 VanDerWaalsContact O-CG 3.3Å; I131-Q135 WeakPolarHBondContact O-CG 3.38Å; I131-Q135 PolarHBondContact O-N 3.47Å; K133-Q135 VanDerWaalsContact C-N 3.3Å; K133-Q135 PolarHBondContact O-N 3.29Å; Q135-M139 VanDerWaalsContact O-CA 3.3Å; Q135-M139 WeakPolarHBondContact O-CA 3.39Å; Q135-M139 PolarHBondContact O-N 3.49Å; Q135-C140 VanDerWaalsContact CB-O 3.28Å; Q135-C140 WeakPolarHBondContact CB-O 3.17Å; Q135-C140 WeakPolarHBondContact CG-O 3.33Å; Q135-C140 PolarHBondContact O-N 3.33Å; Q135-C140 VanDerWaalsContact O-N 3.13Å; Q135-S156 PolarHBondContact OE1-OG 2.87Å; Q135-C177 VanDerWaalsContact CG-SG 3.57Å |
| 136 | R | 90.8 | Very high | 89.7 | Confident | 147 Ų | 147 | 49.6 Ų | 49.6 | 56% | 0.555 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69.1 | -41.5 | 176.3 | -67.7 | 172 | -172.3 | -115.1 | 2.2 | 112.1 | E132 K133 L134 | E132-R136 WeakPolarHBondContact O-CG 3.4Å; E132-R136 PolarHBondContact O-N 2.9Å; K133-R136 PolarHBondContact O-N 3.41Å; K133-R136 VanDerWaalsContact O-N 3.16Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.01Å |
| 137 | E | 90.1 | Very high | 90.2 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.2 | -39.4 | -178.6 | -74.1 | 178.8 | 174.6 | 0 | 0 | 112.4 | K133 L134 | K133-E137 WeakPolarHBondContact CE-OE1 3.26Å; K133-E137 IonicContact NZ-OE1 2.75Å; K133-E137 PolarHBondContact O-N 2.91Å; L134-E137 PolarHBondContact O-N 3.45Å |
| 138 | L | 90.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -98.1 | -0.4 | -177.8 | -66.2 | -177.2 | 0 | 0 | 0 | 114.3 | L134 C140 K180 I181 Y184 | L134-L138 HydrophobicContact CD1-CD1 3.55Å; L134-L138 HydrophobicContact CD1-CG 4.09Å; L134-L138 HydrophobicContact CG-CD1 4.1Å; L134-L138 WeakPolarHBondContact O-CB 3.29Å; L134-L138 PolarHBondContact O-N 3Å; L138-C140 PolarHBondContact O-N 3.24Å; L138-K180 HydrophobicContact CB-CB 4.19Å; L138-I181 HydrophobicContact CD1-CG1 3.53Å; L138-Y184 HydrophobicContact CD2-CD2 3.8Å; L138-Y184 HydrophobicContact CD2-CE2 4.43Å; L138-Y184 HydrophobicContact CD2-CG 3.98Å |
| 139 | M | 92.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 52 Ų | 52 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 51.9 | -178.7 | -58.8 | -173.4 | -171.4 | 0 | 0 | 112.3 | Q135 A163 Y173 | Q135-M139 VanDerWaalsContact O-CA 3.3Å; Q135-M139 WeakPolarHBondContact O-CA 3.39Å; Q135-M139 PolarHBondContact O-N 3.49Å; M139-A163 HydrophobicContact SD-CB 4.43Å; M139-Y173 HydrophobicContact CB-CD1 4.08Å; M139-Y173 HydrophobicContact CB-CE1 3.56Å; M139-Y173 HydrophobicContact CB-CE2 4.49Å; M139-Y173 HydrophobicContact CG-CE1 4.14Å; M139-Y173 WeakPolarHBondContact O-CD1 3.03Å |
| 140 | C | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -132.2 | 166.1 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | Q135 L138 D175 C177 K180 | Q135-C140 VanDerWaalsContact CB-O 3.28Å; Q135-C140 WeakPolarHBondContact CB-O 3.17Å; Q135-C140 WeakPolarHBondContact CG-O 3.33Å; Q135-C140 PolarHBondContact O-N 3.33Å; Q135-C140 VanDerWaalsContact O-N 3.13Å; L138-C140 PolarHBondContact O-N 3.24Å; C140-D175 WeakPolarHBondContact CA-O 3.25Å; C140-D175 WeakPolarHBondContact CB-O 3.36Å; C140-C177 HydrophobicContact CB-CB 3.9Å; C140-C177 WeakPolarHBondContact CB-SG 3.4Å; C140-C177 WeakPolarHBondContact SG-CA 3.26Å; C140-C177 WeakPolarHBondContact SG-CB 3.29Å; C140-C177 CovalentContact SG-SG 2.03Å; C140-C177 PolarHBondContact SG-SG 2.98Å; C140-K180 HydrophobicContact CB-CB 4.31Å; C140-K180 HydrophobicContact CB-CG 3.86Å | ||
| 141 | C | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -133.3 | 141.2 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | G146 P147 C157 Y173 D175 | C141-G146 CarbonylContact O-C 3.24Å; C141-G146 VanDerWaalsContact O-C 3.24Å; C141-G146 WeakPolarHBondContact O-CA 3.49Å; C141-P147 HydrophobicContact CB-CG 4.04Å; C141-C157 VanDerWaalsContact CA-SG 3.53Å; C141-C157 HydrophobicContact CB-CB 3.66Å; C141-C157 WeakPolarHBondContact CB-SG 3.49Å; C141-C157 WeakPolarHBondContact SG-CB 3.26Å; C141-C157 CovalentContact SG-SG 2.03Å; C141-C157 PolarHBondContact SG-SG 2.89Å; C141-Y173 WeakPolarHBondContact CB-O 3.43Å; C141-D175 PolarHBondContact N-O 3.42Å | ||
| 142 | G | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 65.3 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G146 C177 | G142-G146 WeakPolarHBondContact CA-O 3.45Å; G142-C177 WeakPolarHBondContact O-CB 3.35Å; G142-C177 PolarHBondContact O-N 2.92Å; G142-C177 VanDerWaalsContact O-N 3.11Å; G142-C177 PolarHBondContact O-SG 2.84Å |
| 143 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -96.4 | -49.9 | -179 | -65 | -177.7 | 0 | 0 | 0 | 111.1 | L114 L117 T118 I120 I131 D149 Y178 | L114-L143 HydrophobicContact CB-CB 4.42Å; L114-L143 HydrophobicContact CD2-CD2 4.24Å; L117-L143 HydrophobicContact CB-CD1 3.65Å; L117-L143 HydrophobicContact CD1-CD1 4.28Å; T118-L143 HydrophobicContact CG2-CB 4.42Å; T118-L143 HydrophobicContact CG2-CD1 4.27Å; I120-L143 HydrophobicContact CD1-CD1 4.3Å; I120-L143 HydrophobicContact CD1-CG 3.89Å; I120-L143 HydrophobicContact CG1-CD1 4.11Å; I120-L143 HydrophobicContact CG1-CG 4.26Å; I131-L143 HydrophobicContact CD1-CD1 4.19Å; I131-L143 HydrophobicContact CG1-CD2 4.38Å; I131-L143 HydrophobicContact CG2-CD2 4Å; L143-D149 PolarHBondContact N-OD2 3.43Å; L143-Y178 VanDerWaalsContact O-CB 3.26Å; L143-Y178 WeakPolarHBondContact O-CB 3.45Å; L143-Y178 PolarHBondContact O-N 2.96Å |
| 144 | M | 91.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -119.7 | -46.5 | -169.1 | -69 | -56.9 | -64.9 | 0 | 0 | 112.9 | K111 L114 E115 D149 Y178 | K111-M144 HydrophobicContact CD-CE 4.17Å; K111-M144 HydrophobicContact CG-CE 3.54Å; K111-M144 HydrophobicContact CG-SD 4.35Å; L114-M144 HydrophobicContact CB-CG 4.4Å; L114-M144 HydrophobicContact CB-SD 3.94Å; L114-M144 HydrophobicContact CD1-SD 4.49Å; E115-M144 HydrophobicContact CG-CE 3.94Å; E115-M144 HydrophobicContact CG-CG 3.98Å; E115-M144 HydrophobicContact CG-SD 4.2Å; M144-D149 PolarHBondContact N-OD2 3Å; M144-Y178 HydrophobicContact SD-CG 4.25Å |
| 145 | K | 90.5 | Very high | 91.3 | Very high | 160 Ų | 160 | 59.4 Ų | 59.4 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -109.9 | 22.3 | -173.1 | -54.4 | 178.9 | 179.6 | 174.8 | 0 | 113.5 | D149 | K145-D149 VanDerWaalsContact CB-OD1 3.28Å; K145-D149 WeakPolarHBondContact CB-OD1 3.5Å; K145-D149 PolarHBondContact N-OD1 3.25Å; K145-D149 PolarHBondContact N-OD2 2.9Å |
| 146 | G | 90.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | 71.4 | -150.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C141 G142 S148 D149 | C141-G146 CarbonylContact O-C 3.24Å; C141-G146 VanDerWaalsContact O-C 3.24Å; C141-G146 WeakPolarHBondContact O-CA 3.49Å; G142-G146 WeakPolarHBondContact CA-O 3.45Å; G146-S148 PolarHBondContact O-N 3.41Å; G146-D149 PolarHBondContact O-N 3.41Å; G146-D149 VanDerWaalsContact O-N 3.08Å |
| 147 | P | 90.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -53.2 | -23.1 | 177.1 | -26.6 | 34.4 | 0 | 0 | 0 | 115.5 | C141 D149 W150 I153 I172 Y173 | C141-P147 HydrophobicContact CB-CG 4.04Å; P147-D149 PolarHBondContact O-N 3.16Å; P147-W150 PolarHBondContact O-N 3.38Å; P147-W150 VanDerWaalsContact O-N 3.16Å; P147-I153 HydrophobicContact CB-CD1 4.06Å; P147-I172 HydrophobicContact CB-CG2 4.34Å; P147-I172 HydrophobicContact CG-CG2 3.84Å; P147-Y173 WeakPolarHBondContact CG-O 3.15Å |
| 148 | S | 90.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -66.8 | -16.4 | 179.2 | -51.5 | 0 | 0 | 0 | 0 | 114.2 | G146 W150 | G146-S148 PolarHBondContact O-N 3.41Å; S148-W150 PolarHBondContact O-N 3.36Å |
| 149 | D | 90.3 | Very high | 91.3 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -71.2 | -14.3 | 174.6 | -70.2 | -26.2 | 0 | 0 | 0 | 112.6 | I120 L143 M144 K145 G146 P147 | I120-D149 HydrophobicContact CD1-CB 3.74Å; I120-D149 HydrophobicContact CG1-CB 4.46Å; L143-D149 PolarHBondContact N-OD2 3.43Å; M144-D149 PolarHBondContact N-OD2 3Å; K145-D149 VanDerWaalsContact CB-OD1 3.28Å; K145-D149 WeakPolarHBondContact CB-OD1 3.5Å; K145-D149 PolarHBondContact N-OD1 3.25Å; K145-D149 PolarHBondContact N-OD2 2.9Å; G146-D149 PolarHBondContact O-N 3.41Å; G146-D149 VanDerWaalsContact O-N 3.08Å; P147-D149 PolarHBondContact O-N 3.16Å |
| 150 | W | 90.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | trans | -101.2 | 130.6 | 177.8 | -67.4 | 108.5 | 0 | 0 | 0 | 111.8 | I120 I128 I131 E132 P147 S148 K152 P154 | I120-W150 HydrophobicContact CB-CE3 4.32Å; I120-W150 HydrophobicContact CB-CH2 4.23Å; I120-W150 HydrophobicContact CB-CZ3 4.07Å; I120-W150 HydrophobicContact CD1-CD2 4.28Å; I120-W150 HydrophobicContact CD1-CZ2 4.05Å; I120-W150 HydrophobicContact CG2-CE3 4.2Å; I120-W150 HydrophobicContact CG2-CH2 3.29Å; I120-W150 HydrophobicContact CG2-CZ2 3.86Å; I120-W150 HydrophobicContact CG2-CZ3 3.48Å; I120-W150 VanDerWaalsContact CG2-CZ3 3.48Å; I128-W150 HydrophobicContact CG2-CH2 3.97Å; I128-W150 HydrophobicContact CG2-CZ3 4.24Å; I131-W150 HydrophobicContact CG2-CH2 4.49Å; I131-W150 HydrophobicContact CG2-CZ2 3.98Å; E132-W150 HydrophobicContact CG-CH2 4.47Å; P147-W150 PolarHBondContact O-N 3.38Å; P147-W150 VanDerWaalsContact O-N 3.16Å; S148-W150 PolarHBondContact O-N 3.36Å; W150-K152 VanDerWaalsContact C-N 3.32Å; W150-P154 HydrophobicContact CD2-CG 3.92Å; W150-P154 HydrophobicContact CE3-CG 4.35Å; W150-P154 HydrophobicContact CG-CG 4.38Å; W150-P154 HydrophobicContact CH2-CG 4.2Å; W150-P154 HydrophobicContact CZ2-CG 3.75Å; W150-P154 HydrophobicContact CZ3-CG 4.48Å | ||
| 151 | T | 88.1 | Confident | 90 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 80% | 0.798 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.3 | -35.7 | 167.3 | -44.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 152 | K | 90.1 | Very high | 89.1 | Confident | 181 Ų | 181 | 67.2 Ų | 67.2 | 79% | 0.787 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -133.6 | 118.6 | 172.8 | -177.8 | -179.8 | 178.6 | -177.2 | 0 | 107.9 | W150 P154 | W150-K152 VanDerWaalsContact C-N 3.32Å; K152-P154 WeakPolarHBondContact O-CD 3.36Å |
| 153 | I | 90.3 | Very high | 88.2 | Confident | 69 Ų | 69 | 68 Ų | 68 | 35% | 0.354 | 37% | 0.367 | S | S | . | . | trans | -65.7 | 121.3 | -175.4 | -59 | 176.3 | 0 | 0 | 0 | 109.2 | P147 C157 I172 | P147-I153 HydrophobicContact CB-CD1 4.06Å; I153-C157 HydrophobicContact CG2-CB 3.59Å; I153-I172 HydrophobicContact CD1-CD1 3.82Å; I153-I172 HydrophobicContact CG2-CD1 4.35Å; I153-I172 HydrophobicContact CG2-CG2 4.35Å | ||
| 154 | P | 92.1 | Very high | 87.5 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -77.4 | 164.7 | 178.5 | 31.8 | -36.2 | 0 | 0 | 0 | 112 | E132 W150 K152 S156 C157 | E132-P154 HydrophobicContact CG-CB 4.33Å; E132-P154 HydrophobicContact CG-CG 4.45Å; E132-P154 WeakPolarHBondContact OE1-CB 3.47Å; W150-P154 HydrophobicContact CD2-CG 3.92Å; W150-P154 HydrophobicContact CE3-CG 4.35Å; W150-P154 HydrophobicContact CG-CG 4.38Å; W150-P154 HydrophobicContact CH2-CG 4.2Å; W150-P154 HydrophobicContact CZ2-CG 3.75Å; W150-P154 HydrophobicContact CZ3-CG 4.48Å; K152-P154 WeakPolarHBondContact O-CD 3.36Å; P154-S156 VanDerWaalsContact CG-OG 3.26Å; P154-S156 WeakPolarHBondContact CG-OG 3.47Å; P154-S156 PolarHBondContact O-N 3.41Å; P154-C157 WeakPolarHBondContact O-CB 3.29Å; P154-C157 PolarHBondContact O-N 2.95Å; P154-C157 VanDerWaalsContact O-N 3.14Å | ||
| 155 | D | 92 | Very high | 86.6 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -67.1 | -20.1 | 178.7 | -69.8 | -30.8 | 0 | 0 | 0 | 113.2 | C157 R158 | D155-C157 PolarHBondContact O-N 3.04Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.36Å; D155-R158 VanDerWaalsContact O-N 3.15Å; D155-R158 IonicContact OD1-CZ 2.75Å; D155-R158 IonicContact OD1-NE 3.9Å; D155-R158 PolarHBondContact OD1-NE 3.36Å; D155-R158 IonicContact OD1-NH2 3.8Å; D155-R158 PolarHBondContact OD1-NH2 2.84Å |
| 156 | S | 91.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -61.6 | -25.3 | 172.2 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | E132 Q135 P154 R158 | E132-S156 WeakPolarHBondContact CG-OG 3.44Å; E132-S156 WeakPolarHBondContact O-CB 3.42Å; Q135-S156 PolarHBondContact OE1-OG 2.87Å; P154-S156 VanDerWaalsContact CG-OG 3.26Å; P154-S156 WeakPolarHBondContact CG-OG 3.47Å; P154-S156 PolarHBondContact O-N 3.41Å; S156-R158 VanDerWaalsContact C-N 3.32Å |
| 157 | C | 92.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -83.9 | -6.9 | 178.3 | -76.4 | 0 | 0 | 0 | 0 | 113.4 | C141 I153 P154 D155 I172 Y173 | C141-C157 VanDerWaalsContact CA-SG 3.53Å; C141-C157 HydrophobicContact CB-CB 3.66Å; C141-C157 WeakPolarHBondContact CB-SG 3.49Å; C141-C157 WeakPolarHBondContact SG-CB 3.26Å; C141-C157 CovalentContact SG-SG 2.03Å; C141-C157 PolarHBondContact SG-SG 2.89Å; I153-C157 HydrophobicContact CG2-CB 3.59Å; P154-C157 WeakPolarHBondContact O-CB 3.29Å; P154-C157 PolarHBondContact O-N 2.95Å; P154-C157 VanDerWaalsContact O-N 3.14Å; D155-C157 PolarHBondContact O-N 3.04Å; C157-I172 HydrophobicContact CB-CG2 4.23Å; C157-I172 CarbonylContact O-C 3.6Å; C157-I172 WeakPolarHBondContact O-CA 3.39Å; C157-Y173 VanDerWaalsContact O-CD2 3.29Å; C157-Y173 WeakPolarHBondContact O-CD2 3.3Å; C157-Y173 PolarHBondContact O-N 3.5Å |
| 158 | R | 92.1 | Very high | 85.8 | Confident | 163 Ų | 163 | 72.5 Ų | 72.5 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -77.5 | 135.2 | -179.6 | -65.3 | -176 | -176.2 | -139.6 | -2.5 | 110.5 | D155 S156 G171 Y173 | D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.36Å; D155-R158 VanDerWaalsContact O-N 3.15Å; D155-R158 IonicContact OD1-CZ 2.75Å; D155-R158 IonicContact OD1-NE 3.9Å; D155-R158 PolarHBondContact OD1-NE 3.36Å; D155-R158 IonicContact OD1-NH2 3.8Å; D155-R158 PolarHBondContact OD1-NH2 2.84Å; S156-R158 VanDerWaalsContact C-N 3.32Å; R158-G171 WeakPolarHBondContact CA-O 3.3Å; R158-Y173 VanDerWaalsContact O-CE2 3.24Å; R158-Y173 WeakPolarHBondContact O-CE2 3.44Å |
| 159 | C | 88.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 72.3 Ų | 72.3 | 22% | 0.223 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.8 | 176.2 | -74.1 | 0 | 0 | 0 | 0 | 112 | A163 C168 G171 I172 Y173 | C159-A163 HydrophobicContact CB-CB 4.4Å; C159-C168 HydrophobicContact CB-CB 3.94Å; C159-C168 WeakPolarHBondContact CB-SG 3.28Å; C159-C168 WeakPolarHBondContact SG-CB 3.38Å; C159-C168 CovalentContact SG-SG 2.01Å; C159-C168 PolarHBondContact SG-SG 3.49Å; C159-G171 PolarHBondContact N-O 3.29Å; C159-I172 VanDerWaalsContact SG-C 3.55Å; C159-Y173 HydrophobicContact CB-CE1 4.2Å; C159-Y173 WeakPolarHBondContact SG-CD1 3.46Å; C159-Y173 VanDerWaalsContact SG-CE1 3.52Å |
| 160 | N | 82.8 | Confident | 85.5 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -90 | 162.3 | 169.5 | -159.1 | -3.2 | 0 | 0 | 0 | 111.1 | T162 A163 Y173 | N160-T162 PolarHBondContact O-N 3.39Å; N160-A163 VanDerWaalsContact O-CB 3.26Å; N160-A163 WeakPolarHBondContact O-CB 3.24Å; N160-A163 PolarHBondContact O-N 3.31Å; N160-Y173 PolarHBondContact N-OH 2.96Å |
| 161 | S | 74.1 | Confident | 85.4 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 87% | 0.867 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | -179.4 | -50.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 162 | T | 76.8 | Confident | 85.5 | Confident | 103 Ų | 103 | 75 Ų | 75 | 63% | 0.632 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7 | 175.5 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | N160 | N160-T162 PolarHBondContact O-N 3.39Š|
| 163 | A | 74.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -74.2 | 136.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M139 C159 N160 Y173 | M139-A163 HydrophobicContact SD-CB 4.43Å; C159-A163 HydrophobicContact CB-CB 4.4Å; N160-A163 VanDerWaalsContact O-CB 3.26Å; N160-A163 WeakPolarHBondContact O-CB 3.24Å; N160-A163 PolarHBondContact O-N 3.31Å; A163-Y173 HydrophobicContact CB-CE1 3.79Å |
| 164 | P | 77.5 | Confident | 85.7 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | trans | -60.1 | 138.4 | 172.8 | -21 | 32.3 | 0 | 0 | 0 | 111.3 | N166 V167 | P164-N166 WeakPolarHBondContact CB-OD1 3.29Å; P164-N166 PolarHBondContact O-N 2.93Å; P164-V167 HydrophobicContact CB-CG2 4.01Å; P164-V167 HydrophobicContact CG-CG2 4.21Å; P164-V167 PolarHBondContact O-N 3.11Å | ||
| 165 | A | 73.9 | Confident | 85.7 | Confident | 98 Ų | 98 | 69.1 Ų | 69.1 | 81% | 0.81 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 166 | N | 82.1 | Confident | 85.8 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -9.3 | 179.7 | 62.8 | -32.6 | 0 | 0 | 0 | 114.3 | P164 K174 | P164-N166 WeakPolarHBondContact CB-OD1 3.29Å; P164-N166 PolarHBondContact O-N 2.93Å; N166-K174 WeakPolarHBondContact O-CE 3.38Å; N166-K174 PolarHBondContact O-NZ 2.97Å |
| 167 | V | 84.1 | Confident | 85.9 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -12.5 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | P164 Y173 K174 | P164-V167 HydrophobicContact CB-CG2 4.01Å; P164-V167 HydrophobicContact CG-CG2 4.21Å; P164-V167 PolarHBondContact O-N 3.11Å; V167-Y173 HydrophobicContact CG1-CD1 4.1Å; V167-K174 WeakPolarHBondContact O-CG 2.95Å; V167-K174 PolarHBondContact O-N 2.85Å; V167-K174 VanDerWaalsContact O-N 3.1Å |
| 168 | C | 88.4 | Confident | 85.9 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.6 | -173.8 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | C159 I172 | C159-C168 HydrophobicContact CB-CB 3.94Å; C159-C168 WeakPolarHBondContact CB-SG 3.28Å; C159-C168 WeakPolarHBondContact SG-CB 3.38Å; C159-C168 CovalentContact SG-SG 2.01Å; C159-C168 PolarHBondContact SG-SG 3.49Å; C168-I172 WeakPolarHBondContact CA-O 3.08Å |
| 169 | D | 87.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.5 | 167.6 | -175.2 | 22.4 | 0 | 0 | 0 | 109 | G171 I172 K174 | D169-G171 PolarHBondContact O-N 2.94Å; D169-I172 PolarHBondContact N-O 3.43Å; D169-I172 PolarHBondContact O-N 3.31Å; D169-K174 HydrophobicContact CB-CB 4.31Å |
| 170 | N | 86.3 | Confident | 86.1 | Confident | 151 Ų | 151 | 66.3 Ų | 66.3 | 81% | 0.807 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 34.2 | -175 | -61.9 | -50.3 | 0 | 0 | 0 | 114.7 | ||
| 171 | G | 87.1 | Confident | 86.5 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 11.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R158 C159 D169 | R158-G171 WeakPolarHBondContact CA-O 3.3Å; C159-G171 PolarHBondContact N-O 3.29Å; D169-G171 PolarHBondContact O-N 2.94Å |
| 172 | I | 91.6 | Very high | 87.3 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.5 | 178.8 | -63.3 | 165.7 | 0 | 0 | 0 | 109.3 | P147 I153 C157 C159 C168 D169 K174 | P147-I172 HydrophobicContact CB-CG2 4.34Å; P147-I172 HydrophobicContact CG-CG2 3.84Å; I153-I172 HydrophobicContact CD1-CD1 3.82Å; I153-I172 HydrophobicContact CG2-CD1 4.35Å; I153-I172 HydrophobicContact CG2-CG2 4.35Å; C157-I172 HydrophobicContact CB-CG2 4.23Å; C157-I172 CarbonylContact O-C 3.6Å; C157-I172 WeakPolarHBondContact O-CA 3.39Å; C159-I172 VanDerWaalsContact SG-C 3.55Å; C168-I172 WeakPolarHBondContact CA-O 3.08Å; D169-I172 PolarHBondContact N-O 3.43Å; D169-I172 PolarHBondContact O-N 3.31Å; I172-K174 PolarHBondContact O-N 2.7Å |
| 173 | Y | 92.5 | Very high | 87.9 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 123.8 | 173.1 | -64.9 | -60.8 | 0 | 0 | 0 | 110.1 | M139 C141 P147 C157 R158 C159 N160 A163 V167 | M139-Y173 HydrophobicContact CB-CD1 4.08Å; M139-Y173 HydrophobicContact CB-CE1 3.56Å; M139-Y173 HydrophobicContact CB-CE2 4.49Å; M139-Y173 HydrophobicContact CG-CE1 4.14Å; M139-Y173 WeakPolarHBondContact O-CD1 3.03Å; C141-Y173 WeakPolarHBondContact CB-O 3.43Å; P147-Y173 WeakPolarHBondContact CG-O 3.15Å; C157-Y173 VanDerWaalsContact O-CD2 3.29Å; C157-Y173 WeakPolarHBondContact O-CD2 3.3Å; C157-Y173 PolarHBondContact O-N 3.5Å; R158-Y173 VanDerWaalsContact O-CE2 3.24Å; R158-Y173 WeakPolarHBondContact O-CE2 3.44Å; C159-Y173 HydrophobicContact CB-CE1 4.2Å; C159-Y173 WeakPolarHBondContact SG-CD1 3.46Å; C159-Y173 VanDerWaalsContact SG-CE1 3.52Å; N160-Y173 PolarHBondContact N-OH 2.96Å; A163-Y173 HydrophobicContact CB-CE1 3.79Å; V167-Y173 HydrophobicContact CG1-CD1 4.1Å |
| 174 | K | 90.4 | Very high | 88.6 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | trans | -88.7 | -28.3 | -176.4 | 77.3 | -168 | -170.3 | -176.1 | 0 | 113.3 | N166 V167 D169 I172 | N166-K174 WeakPolarHBondContact O-CE 3.38Å; N166-K174 PolarHBondContact O-NZ 2.97Å; V167-K174 WeakPolarHBondContact O-CG 2.95Å; V167-K174 PolarHBondContact O-N 2.85Å; V167-K174 VanDerWaalsContact O-N 3.1Å; D169-K174 HydrophobicContact CB-CB 4.31Å; I172-K174 PolarHBondContact O-N 2.7Å | ||
| 175 | D | 92.8 | Very high | 89 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -76.2 | 135.5 | -174.1 | -61.6 | -15.6 | 0 | 0 | 0 | 110.7 | C140 C141 K180 | C140-D175 WeakPolarHBondContact CA-O 3.25Å; C140-D175 WeakPolarHBondContact CB-O 3.36Å; C141-D175 PolarHBondContact N-O 3.42Å; D175-K180 HydrophobicContact CB-CG 4.5Å; D175-K180 WeakPolarHBondContact OD2-CE 2.96Å; D175-K180 IonicContact OD2-NZ 2.66Å; D175-K180 PolarHBondContact OD2-NZ 3.45Å |
| 176 | P | 93.5 | Very high | 89.6 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | trans | -69.7 | 145.9 | 174 | 29.1 | -33.5 | 0 | 0 | 0 | 111.4 | Y178 E179 K180 | P176-Y178 VanDerWaalsContact C-N 3.26Å; P176-Y178 PolarHBondContact O-N 2.71Å; P176-E179 HydrophobicContact CG-CB 4.27Å; P176-E179 HydrophobicContact CG-CG 3.87Å; P176-E179 PolarHBondContact O-N 3.43Å; P176-K180 PolarHBondContact O-N 2.94Å | ||
| 177 | C | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -28.9 | -179.1 | -68.1 | 0 | 0 | 0 | 0 | 113.6 | Q135 C140 G142 E179 K180 I181 | Q135-C177 VanDerWaalsContact CG-SG 3.57Å; C140-C177 HydrophobicContact CB-CB 3.9Å; C140-C177 WeakPolarHBondContact CB-SG 3.4Å; C140-C177 WeakPolarHBondContact SG-CA 3.26Å; C140-C177 WeakPolarHBondContact SG-CB 3.29Å; C140-C177 CovalentContact SG-SG 2.03Å; C140-C177 PolarHBondContact SG-SG 2.98Å; G142-C177 WeakPolarHBondContact O-CB 3.35Å; G142-C177 PolarHBondContact O-N 2.92Å; G142-C177 VanDerWaalsContact O-N 3.11Å; G142-C177 PolarHBondContact O-SG 2.84Å; C177-E179 VanDerWaalsContact C-N 3.34Å; C177-E179 PolarHBondContact O-N 2.83Å; C177-K180 PolarHBondContact O-N 3.17Å; C177-I181 HydrophobicContact CB-CD1 4.49Å; C177-I181 WeakPolarHBondContact O-CB 3.36Å; C177-I181 WeakPolarHBondContact O-CD1 3.38Å; C177-I181 WeakPolarHBondContact O-CG1 3.45Å; C177-I181 PolarHBondContact O-N 2.84Å |
| 178 | Y | 93.5 | Very high | 90.2 | Very high | 50 Ų | 50 | 64 Ų | 64 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52 | -50.2 | 173.1 | 168.1 | -105.8 | 0 | 0 | 0 | 112.3 | I110 K111 L114 L143 M144 P176 K180 I181 I182 | I110-Y178 HydrophobicContact CG2-CD2 4.16Å; I110-Y178 HydrophobicContact CG2-CE2 4.35Å; K111-Y178 HydrophobicContact CB-CD2 4.46Å; K111-Y178 HydrophobicContact CB-CE2 3.89Å; L114-Y178 HydrophobicContact CD1-CD2 4.01Å; L114-Y178 HydrophobicContact CD1-CG 4.41Å; L143-Y178 VanDerWaalsContact O-CB 3.26Å; L143-Y178 WeakPolarHBondContact O-CB 3.45Å; L143-Y178 PolarHBondContact O-N 2.96Å; M144-Y178 HydrophobicContact SD-CG 4.25Å; P176-Y178 VanDerWaalsContact C-N 3.26Å; P176-Y178 PolarHBondContact O-N 2.71Å; Y178-K180 PolarHBondContact O-N 2.94Å; Y178-I181 PolarHBondContact O-N 3.25Å; Y178-I182 HydrophobicContact CD2-CG1 4.28Å; Y178-I182 HydrophobicContact CE1-CG1 4.47Å; Y178-I182 HydrophobicContact CE2-CD1 4.04Å; Y178-I182 HydrophobicContact CE2-CG1 3.85Å; Y178-I182 WeakPolarHBondContact O-CG1 2.93Å; Y178-I182 PolarHBondContact O-N 3.22Å |
| 179 | E | 92.8 | Very high | 90.1 | Very high | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -178.5 | -69.7 | -179.5 | -178 | 0 | 0 | 111.7 | P176 C177 I182 S183 | P176-E179 HydrophobicContact CG-CB 4.27Å; P176-E179 HydrophobicContact CG-CG 3.87Å; P176-E179 PolarHBondContact O-N 3.43Å; C177-E179 VanDerWaalsContact C-N 3.34Å; C177-E179 PolarHBondContact O-N 2.83Å; E179-I182 PolarHBondContact O-N 3.29Å; E179-S183 PolarHBondContact O-N 3.14Å |
| 180 | K | 92.1 | Very high | 90.1 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 175 | -70.1 | -58.2 | -172.3 | -160.9 | 0 | 112.6 | L138 C140 D175 P176 C177 Y178 S183 Y184 | L138-K180 HydrophobicContact CB-CB 4.19Å; C140-K180 HydrophobicContact CB-CB 4.31Å; C140-K180 HydrophobicContact CB-CG 3.86Å; D175-K180 HydrophobicContact CB-CG 4.5Å; D175-K180 WeakPolarHBondContact OD2-CE 2.96Å; D175-K180 IonicContact OD2-NZ 2.66Å; D175-K180 PolarHBondContact OD2-NZ 3.45Å; P176-K180 PolarHBondContact O-N 2.94Å; C177-K180 PolarHBondContact O-N 3.17Å; Y178-K180 PolarHBondContact O-N 2.94Å; K180-S183 PolarHBondContact O-N 2.73Å; K180-Y184 WeakPolarHBondContact O-CB 3.47Å; K180-Y184 PolarHBondContact O-N 2.89Å |
| 181 | I | 91.7 | Very high | 90.3 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 175 | -69.9 | 160.6 | 0 | 0 | 0 | 110 | I110 L114 L134 L138 C177 Y178 Y184 M185 | I110-I181 HydrophobicContact CG2-CG2 4.39Å; L114-I181 HydrophobicContact CD1-CD1 3.9Å; L114-I181 HydrophobicContact CD2-CD1 4.42Å; L134-I181 HydrophobicContact CD2-CD1 4.28Å; L138-I181 HydrophobicContact CD1-CG1 3.53Å; C177-I181 HydrophobicContact CB-CD1 4.49Å; C177-I181 WeakPolarHBondContact O-CB 3.36Å; C177-I181 WeakPolarHBondContact O-CD1 3.38Å; C177-I181 WeakPolarHBondContact O-CG1 3.45Å; C177-I181 PolarHBondContact O-N 2.84Å; Y178-I181 PolarHBondContact O-N 3.25Å; I181-Y184 PolarHBondContact O-N 3.13Å; I181-M185 HydrophobicContact CG2-CE 4.38Å; I181-M185 WeakPolarHBondContact O-CG 3.36Å; I181-M185 PolarHBondContact O-N 3.15Å |
| 182 | I | 90 | Very high | 90.4 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 178.2 | -60.8 | -48.8 | 0 | 0 | 0 | 111 | N107 I110 Y178 E179 M185 K186 | N107-I182 HydrophobicContact CB-CD1 4.42Å; N107-I182 WeakPolarHBondContact OD1-CD1 3.44Å; I110-I182 HydrophobicContact CD1-CD1 3.93Å; Y178-I182 HydrophobicContact CD2-CG1 4.28Å; Y178-I182 HydrophobicContact CE1-CG1 4.47Å; Y178-I182 HydrophobicContact CE2-CD1 4.04Å; Y178-I182 HydrophobicContact CE2-CG1 3.85Å; Y178-I182 WeakPolarHBondContact O-CG1 2.93Å; Y178-I182 PolarHBondContact O-N 3.22Å; E179-I182 PolarHBondContact O-N 3.29Å; I182-M185 HydrophobicContact CD1-CE 3.46Å; I182-M185 VanDerWaalsContact CD1-CE 3.46Å; I182-M185 PolarHBondContact O-N 2.03Å; I182-K186 HydrophobicContact CG2-CD 4.42Å; I182-K186 WeakPolarHBondContact O-CG 3.16Å; I182-K186 PolarHBondContact O-N 2.01Å; I182-K186 VanDerWaalsContact O-N 3.15Å |
| 183 | S | 90.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.5 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | E179 K180 M185 K186 D187 | E179-S183 PolarHBondContact O-N 3.14Å; K180-S183 PolarHBondContact O-N 2.73Å; S183-M185 VanDerWaalsContact C-N 3.29Å; S183-M185 PolarHBondContact O-N 2.9Å; S183-K186 WeakPolarHBondContact O-CB 3.12Å; S183-K186 PolarHBondContact O-N 3.27Å; S183-D187 PolarHBondContact O-N 2.84Å; S183-D187 VanDerWaalsContact O-OD2 3.14Å; S183-D187 PolarHBondContact OG-OD2 3.43Å |
| 184 | Y | 88.6 | Confident | 90.3 | Very high | 129 Ų | 129 | 75.3 Ų | 75.3 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | -179.5 | -177.4 | -89.2 | 0 | 0 | 0 | 111.8 | L138 K180 I181 N188 | L138-Y184 HydrophobicContact CD2-CD2 3.8Å; L138-Y184 HydrophobicContact CD2-CE2 4.43Å; L138-Y184 HydrophobicContact CD2-CG 3.98Å; K180-Y184 WeakPolarHBondContact O-CB 3.47Å; K180-Y184 PolarHBondContact O-N 2.89Å; I181-Y184 PolarHBondContact O-N 3.13Å; Y184-N188 WeakPolarHBondContact CD2-ND2 3.32Å; Y184-N188 HydrophobicContact CE1-CB 4.44Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.42Å; Y184-N188 WeakPolarHBondContact O-CB 3.41Å; Y184-N188 PolarHBondContact O-N 2.94Å; Y184-N188 PolarHBondContact O-ND2 3.03Å |
| 185 | M | 85.9 | Confident | 90.4 | Very high | 73 Ų | 73 | 74.9 Ų | 74.9 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 175.5 | -73.6 | -167.6 | -57.9 | 0 | 0 | 112.6 | I110 I181 I182 S183 M189 | I110-M185 HydrophobicContact CD1-CE 3.23Å; I110-M185 HydrophobicContact CD1-SD 3.86Å; I181-M185 HydrophobicContact CG2-CE 4.38Å; I181-M185 WeakPolarHBondContact O-CG 3.36Å; I181-M185 PolarHBondContact O-N 3.15Å; I182-M185 HydrophobicContact CD1-CE 3.46Å; I182-M185 VanDerWaalsContact CD1-CE 3.46Å; I182-M185 PolarHBondContact O-N 2.03Å; S183-M185 VanDerWaalsContact C-N 3.29Å; S183-M185 PolarHBondContact O-N 2.9Å; M185-M189 PolarHBondContact O-N 3.09Å; M185-M189 VanDerWaalsContact O-N 3.11Å |
| 186 | K | 87.4 | Confident | 90.4 | Very high | 133 Ų | 133 | 75.9 Ų | 75.9 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.3 | -45.6 | 177.2 | -71.8 | 177.9 | 177.7 | -174.8 | 0 | 111.5 | I182 S183 N188 M189 | I182-K186 HydrophobicContact CG2-CD 4.42Å; I182-K186 WeakPolarHBondContact O-CG 3.16Å; I182-K186 PolarHBondContact O-N 2.01Å; I182-K186 VanDerWaalsContact O-N 3.15Å; S183-K186 WeakPolarHBondContact O-CB 3.12Å; S183-K186 PolarHBondContact O-N 3.27Å; K186-N188 VanDerWaalsContact C-N 3.31Å; K186-N188 PolarHBondContact O-N 3.27Å; K186-M189 VanDerWaalsContact O-CB 3.29Å; K186-M189 WeakPolarHBondContact O-CB 3.39Å; K186-M189 PolarHBondContact O-N 2.78Å |
| 187 | D | 89.1 | Confident | 90.4 | Very high | 115 Ų | 115 | 82.5 Ų | 82.5 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.4 | -33.2 | -178.3 | -62.2 | -30 | 0 | 0 | 0 | 111.6 | S183 | S183-D187 PolarHBondContact O-N 2.84Å; S183-D187 VanDerWaalsContact O-OD2 3.14Å; S183-D187 PolarHBondContact OG-OD2 3.43Å |
| 188 | N | 88.6 | Confident | 90.5 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 25% | 0.251 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 17.7 | 178.8 | -64.1 | -82.4 | 0 | 0 | 0 | 113.5 | Y184 K186 E190 V191 S192 | Y184-N188 WeakPolarHBondContact CD2-ND2 3.32Å; Y184-N188 HydrophobicContact CE1-CB 4.44Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.42Å; Y184-N188 WeakPolarHBondContact O-CB 3.41Å; Y184-N188 PolarHBondContact O-N 2.94Å; Y184-N188 PolarHBondContact O-ND2 3.03Å; K186-N188 VanDerWaalsContact C-N 3.31Å; K186-N188 PolarHBondContact O-N 3.27Å; N188-E190 VanDerWaalsContact C-N 3.28Å; N188-E190 PolarHBondContact O-N 2.82Å; N188-V191 PolarHBondContact O-N 3.48Å; N188-S192 PolarHBondContact O-N 3.02Å; N188-S192 PolarHBondContact O-OG 3Å |
| 189 | M | 86.6 | Confident | 90.6 | Very high | 118 Ų | 118 | 88 Ų | 88 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | -179.9 | -174.6 | 174.9 | 67 | 0 | 0 | 111.6 | M185 K186 V191 S192 L193 | M185-M189 PolarHBondContact O-N 3.09Å; M185-M189 VanDerWaalsContact O-N 3.11Å; K186-M189 VanDerWaalsContact O-CB 3.29Å; K186-M189 WeakPolarHBondContact O-CB 3.39Å; K186-M189 PolarHBondContact O-N 2.78Å; M189-V191 PolarHBondContact O-N 3.36Å; M189-S192 PolarHBondContact O-N 3.3Å; M189-L193 WeakPolarHBondContact O-CB 3.41Å; M189-L193 PolarHBondContact O-N 3.34Å |
| 190 | E | 88.2 | Confident | 90.7 | Very high | 168 Ų | 168 | 83.9 Ų | 83.9 | 79% | 0.785 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 177.2 | -63.8 | -172.2 | 171.8 | 0 | 0 | 112 | N188 S192 L193 G194 | N188-E190 VanDerWaalsContact C-N 3.28Å; N188-E190 PolarHBondContact O-N 2.82Å; E190-S192 VanDerWaalsContact C-N 3.34Å; E190-S192 PolarHBondContact O-N 3.4Å; E190-L193 PolarHBondContact O-N 2.97Å; E190-G194 PolarHBondContact O-N 3.15Å |
| 191 | V | 90.8 | Very high | 90.9 | Very high | 89 Ų | 89 | 82.5 Ų | 82.5 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | N188 M189 L193 G194 I195 | N188-V191 PolarHBondContact O-N 3.48Å; M189-V191 PolarHBondContact O-N 3.36Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 2.79Å; V191-G194 PolarHBondContact O-N 2.86Å; V191-I195 HydrophobicContact CG1-CD1 4.22Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 3.45Å |
| 192 | S | 87.7 | Confident | 91 | Very high | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | N188 M189 E190 G194 I195 A196 | N188-S192 PolarHBondContact O-N 3.02Å; N188-S192 PolarHBondContact O-OG 3Å; M189-S192 PolarHBondContact O-N 3.3Å; E190-S192 VanDerWaalsContact C-N 3.34Å; E190-S192 PolarHBondContact O-N 3.4Å; S192-G194 VanDerWaalsContact C-N 3.35Å; S192-I195 PolarHBondContact O-N 3.25Å; S192-A196 PolarHBondContact O-N 2.91Å |
| 193 | L | 90 | Very high | 91.3 | Very high | 129 Ų | 129 | 84.8 Ų | 84.8 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 174.9 | -173.6 | 67.3 | 0 | 0 | 0 | 111.6 | M189 E190 V191 I195 A196 F197 | M189-L193 WeakPolarHBondContact O-CB 3.41Å; M189-L193 PolarHBondContact O-N 3.34Å; E190-L193 PolarHBondContact O-N 2.97Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 2.79Å; L193-I195 PolarHBondContact O-N 2.96Å; L193-A196 PolarHBondContact O-N 3.48Å; L193-F197 WeakPolarHBondContact O-CB 3.27Å; L193-F197 PolarHBondContact O-N 3.43Å |
| 194 | G | 93.1 | Very high | 91.5 | Very high | 41 Ų | 41 | 86.2 Ų | 86.2 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E190 V191 S192 F197 A198 | E190-G194 PolarHBondContact O-N 3.15Å; V191-G194 PolarHBondContact O-N 2.86Å; S192-G194 VanDerWaalsContact C-N 3.35Å; G194-F197 PolarHBondContact O-N 3.4Å; G194-A198 PolarHBondContact O-N 2.85Å |
| 195 | I | 92.9 | Very high | 91.8 | Very high | 92 Ų | 92 | 86.1 Ų | 86.1 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.7 | -66.4 | 167.8 | 0 | 0 | 0 | 110.4 | V191 S192 L193 F197 A198 F199 | V191-I195 HydrophobicContact CG1-CD1 4.22Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 3.45Å; S192-I195 PolarHBondContact O-N 3.25Å; L193-I195 PolarHBondContact O-N 2.96Å; I195-F197 VanDerWaalsContact C-N 3.32Å; I195-F197 PolarHBondContact O-N 3.31Å; I195-A198 PolarHBondContact O-N 3.36Å; I195-F199 HydrophobicContact CG2-CD2 3.66Å; I195-F199 HydrophobicContact CG2-CE2 3.56Å; I195-F199 VanDerWaalsContact O-CD2 3.27Å; I195-F199 WeakPolarHBondContact O-CD2 3.2Å; I195-F199 PolarHBondContact O-N 2.94Å |
| 196 | A | 92.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 83.2 Ų | 83.2 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S192 L193 F199 A200 | S192-A196 PolarHBondContact O-N 2.91Å; L193-A196 PolarHBondContact O-N 3.48Å; A196-F199 PolarHBondContact O-N 3.08Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 3.14Å |
| 197 | F | 93.9 | Very high | 92.6 | Very high | 156 Ų | 156 | 77.6 Ų | 77.6 | 68% | 0.684 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 176.4 | -176.6 | -96.6 | 0 | 0 | 0 | 112.2 | L193 G194 I195 F199 A200 A201 | L193-F197 WeakPolarHBondContact O-CB 3.27Å; L193-F197 PolarHBondContact O-N 3.43Å; G194-F197 PolarHBondContact O-N 3.4Å; I195-F197 VanDerWaalsContact C-N 3.32Å; I195-F197 PolarHBondContact O-N 3.31Å; F197-F199 PolarHBondContact O-N 3.38Å; F197-A200 PolarHBondContact O-N 3.21Å; F197-A201 WeakPolarHBondContact O-CB 3.33Å; F197-A201 PolarHBondContact O-N 3.14Å |
| 198 | A | 95.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 76 Ų | 76 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G194 I195 A201 I202 | G194-A198 PolarHBondContact O-N 2.85Å; I195-A198 PolarHBondContact O-N 3.36Å; A198-A201 PolarHBondContact O-N 3.09Å; A198-I202 VanDerWaalsContact O-CG1 3.29Å; A198-I202 WeakPolarHBondContact O-CG1 3.33Å; A198-I202 PolarHBondContact O-N 3.22Å |
| 199 | F | 94.4 | Very high | 93.1 | Very high | 119 Ų | 119 | 76.2 Ų | 76.2 | 52% | 0.522 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.3 | -85.1 | -71.3 | 0 | 0 | 0 | 112.1 | I195 A196 F197 A201 I202 L203 | I195-F199 HydrophobicContact CG2-CD2 3.66Å; I195-F199 HydrophobicContact CG2-CE2 3.56Å; I195-F199 VanDerWaalsContact O-CD2 3.27Å; I195-F199 WeakPolarHBondContact O-CD2 3.2Å; I195-F199 PolarHBondContact O-N 2.94Å; A196-F199 PolarHBondContact O-N 3.08Å; F197-F199 PolarHBondContact O-N 3.38Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.19Å; F199-I202 PolarHBondContact O-N 2.91Å; F199-L203 WeakPolarHBondContact O-CG 3.48Å; F199-L203 PolarHBondContact O-N 2.75Å |
| 200 | A | 95.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F89 A196 F197 L203 L204 | F89-A200 HydrophobicContact CE2-CB 4.25Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 3.14Å; F197-A200 PolarHBondContact O-N 3.21Å; A200-L203 PolarHBondContact O-N 2.03Å; A200-L204 WeakPolarHBondContact O-CG 3.37Å; A200-L204 PolarHBondContact O-N 2.87Å |
| 201 | A | 95.7 | Very high | 93.8 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F197 A198 F199 L203 L204 F205 | F197-A201 WeakPolarHBondContact O-CB 3.33Å; F197-A201 PolarHBondContact O-N 3.14Å; A198-A201 PolarHBondContact O-N 3.09Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A201 PolarHBondContact O-N 3.19Å; A201-L203 VanDerWaalsContact C-N 3.32Å; A201-L203 PolarHBondContact O-N 3Å; A201-L204 PolarHBondContact O-N 3.14Å; A201-F205 WeakPolarHBondContact O-CD2 3.04Å; A201-F205 PolarHBondContact O-N 3.15Å |
| 202 | I | 94.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 177.1 | -71.5 | 166.7 | 0 | 0 | 0 | 111.2 | F18 A198 F199 F205 G206 | F18-I202 HydrophobicContact CE2-CG2 4.1Å; F18-I202 HydrophobicContact CZ-CG2 3.63Å; A198-I202 VanDerWaalsContact O-CG1 3.29Å; A198-I202 WeakPolarHBondContact O-CG1 3.33Å; A198-I202 PolarHBondContact O-N 3.22Å; F199-I202 PolarHBondContact O-N 2.91Å; I202-F205 PolarHBondContact O-N 3.12Å; I202-G206 PolarHBondContact O-N 3.41Å |
| 203 | L | 95.3 | Very high | 94 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 177.4 | -67.2 | 174 | 0 | 0 | 0 | 111.8 | L85 I88 F89 L92 F199 A200 A201 G206 M207 | L85-L203 HydrophobicContact CD2-CD2 3.76Å; I88-L203 HydrophobicContact CG2-CD1 3.89Å; I88-L203 HydrophobicContact CG2-CD2 4.28Å; F89-L203 HydrophobicContact CB-CD1 4.33Å; F89-L203 HydrophobicContact CD2-CB 4.43Å; F89-L203 HydrophobicContact CD2-CD1 4.37Å; L92-L203 HydrophobicContact CD1-CD1 3.52Å; F199-L203 WeakPolarHBondContact O-CG 3.48Å; F199-L203 PolarHBondContact O-N 2.75Å; A200-L203 PolarHBondContact O-N 2.03Å; A201-L203 VanDerWaalsContact C-N 3.32Å; A201-L203 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 2.96Å; L203-M207 WeakPolarHBondContact O-CG 3.19Å; L203-M207 PolarHBondContact O-N 3.02Å |
| 204 | L | 95.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 176.2 | -72 | 170.6 | 0 | 0 | 0 | 111.5 | F89 A200 A201 G206 M207 V208 | F89-L204 HydrophobicContact CE2-CD1 4.45Å; F89-L204 HydrophobicContact CE2-CD2 4.19Å; F89-L204 HydrophobicContact CE2-CG 4.12Å; F89-L204 HydrophobicContact CZ-CD2 4.13Å; F89-L204 HydrophobicContact CZ-CG 4.49Å; A200-L204 WeakPolarHBondContact O-CG 3.37Å; A200-L204 PolarHBondContact O-N 2.87Å; A201-L204 PolarHBondContact O-N 3.14Å; L204-G206 VanDerWaalsContact C-N 3.34Å; L204-G206 PolarHBondContact O-N 3.33Å; L204-M207 HydrophobicContact CD2-CE 3.81Å; L204-M207 HydrophobicContact CG-CE 4.4Å; L204-M207 PolarHBondContact O-N 3.11Å; L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 2.96Å |
| 205 | F | 94.2 | Very high | 94.1 | Very high | 127 Ų | 127 | 59.5 Ų | 59.5 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.1 | -46.8 | 174.8 | -84.2 | -66.8 | 0 | 0 | 0 | 111.5 | A201 I202 M207 V208 F209 | A201-F205 WeakPolarHBondContact O-CD2 3.04Å; A201-F205 PolarHBondContact O-N 3.15Å; I202-F205 PolarHBondContact O-N 3.12Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.33Å; F205-V208 PolarHBondContact O-N 2.99Å; F205-F209 HydrophobicContact CB-CD2 4.3Å; F205-F209 HydrophobicContact CB-CE2 4.26Å; F205-F209 HydrophobicContact CD1-CD2 4.47Å; F205-F209 AromaticContact CD1-CE2 3.75Å; F205-F209 HydrophobicContact CD1-CE2 3.75Å; F205-F209 HydrophobicContact CD1-CZ 4.39Å; F205-F209 HydrophobicContact CG-CE2 4.43Å; F205-F209 WeakPolarHBondContact O-CB 3.26Å; F205-F209 WeakPolarHBondContact O-CD2 3.41Å; F205-F209 PolarHBondContact O-N 3.05Å |
| 206 | G | 94.5 | Very high | 94 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I202 L203 L204 S210 | I202-G206 PolarHBondContact O-N 3.41Å; L203-G206 PolarHBondContact O-N 2.96Å; L204-G206 VanDerWaalsContact C-N 3.34Å; L204-G206 PolarHBondContact O-N 3.33Å; G206-S210 VanDerWaalsContact O-CB 3.23Å; G206-S210 WeakPolarHBondContact O-CB 3.32Å; G206-S210 PolarHBondContact O-N 3.31Å |
| 207 | M | 96.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 177.2 | -76.2 | -171.7 | -73.7 | 0 | 0 | 112.3 | F82 L85 L86 F89 L203 L204 F205 S210 M211 | F82-M207 HydrophobicContact CD2-CB 3.9Å; F82-M207 HydrophobicContact CD2-CG 3.97Å; F82-M207 HydrophobicContact CE2-CB 3.77Å; F82-M207 HydrophobicContact CE2-CG 4Å; F82-M207 HydrophobicContact CE2-SD 4.32Å; L85-M207 HydrophobicContact CB-CG 3.62Å; L85-M207 HydrophobicContact CB-SD 4.29Å; L85-M207 HydrophobicContact CD1-CG 4.02Å; L86-M207 HydrophobicContact CB-SD 3.99Å; L86-M207 HydrophobicContact CD1-SD 4.07Å; F89-M207 HydrophobicContact CB-CE 4.11Å; F89-M207 HydrophobicContact CD1-CE 4.44Å; F89-M207 HydrophobicContact CD2-CE 4.39Å; F89-M207 HydrophobicContact CG-CE 4.07Å; L203-M207 WeakPolarHBondContact O-CG 3.19Å; L203-M207 PolarHBondContact O-N 3.02Å; L204-M207 HydrophobicContact CD2-CE 3.81Å; L204-M207 HydrophobicContact CG-CE 4.4Å; L204-M207 PolarHBondContact O-N 3.11Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.33Å; M207-S210 PolarHBondContact O-N 3.1Å; M207-M211 WeakPolarHBondContact O-CB 3.13Å; M207-M211 PolarHBondContact O-N 3.26Å |
| 208 | V | 95.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L204 F205 S210 M211 M212 | L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 2.96Å; F205-V208 PolarHBondContact O-N 2.99Å; V208-S210 PolarHBondContact O-N 3.47Å; V208-M211 PolarHBondContact O-N 3.48Å; V208-M212 HydrophobicContact CG1-CE 3.89Å; V208-M212 HydrophobicContact CG1-SD 4.36Å; V208-M212 WeakPolarHBondContact O-CB 3.32Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.12Å; V208-M212 PolarHBondContact O-N 3.39Å |
| 209 | F | 93.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 23% | 0.228 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 179.2 | -73.7 | -56.4 | 0 | 0 | 0 | 112.8 | V7 L11 F205 M212 L213 | V7-F209 HydrophobicContact CG1-CB 4.5Å; V7-F209 HydrophobicContact CG1-CD1 3.6Å; V7-F209 HydrophobicContact CG1-CE1 4.29Å; V7-F209 HydrophobicContact CG1-CG 4.44Å; V7-F209 HydrophobicContact CG2-CD1 4.38Å; V7-F209 HydrophobicContact CG2-CE1 4.29Å; L11-F209 HydrophobicContact CD1-CB 3.85Å; F205-F209 HydrophobicContact CB-CD2 4.3Å; F205-F209 HydrophobicContact CB-CE2 4.26Å; F205-F209 HydrophobicContact CD1-CD2 4.47Å; F205-F209 AromaticContact CD1-CE2 3.75Å; F205-F209 HydrophobicContact CD1-CE2 3.75Å; F205-F209 HydrophobicContact CD1-CZ 4.39Å; F205-F209 HydrophobicContact CG-CE2 4.43Å; F205-F209 WeakPolarHBondContact O-CB 3.26Å; F205-F209 WeakPolarHBondContact O-CD2 3.41Å; F205-F209 PolarHBondContact O-N 3.05Å; F209-M212 HydrophobicContact CD1-CE 3.18Å; F209-M212 HydrophobicContact CE1-CE 3.56Å; F209-M212 HydrophobicContact CG-CE 4.12Å; F209-M212 PolarHBondContact O-N 2.91Å; F209-L213 PolarHBondContact O-N 2.87Å |
| 210 | S | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | L78 G206 M207 V208 M212 L213 Y214 | L78-S210 PolarHBondContact O-OG 2.95Å; G206-S210 VanDerWaalsContact O-CB 3.23Å; G206-S210 WeakPolarHBondContact O-CB 3.32Å; G206-S210 PolarHBondContact O-N 3.31Å; M207-S210 PolarHBondContact O-N 3.1Å; V208-S210 PolarHBondContact O-N 3.47Å; S210-M212 PolarHBondContact O-N 3.23Å; S210-L213 PolarHBondContact O-N 3.04Å; S210-Y214 WeakPolarHBondContact O-CB 3.4Å; S210-Y214 PolarHBondContact O-N 3.49Å |
| 211 | M | 94.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 54 Ų | 54 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | -178.2 | -168.2 | 55.8 | 177.6 | 0 | 0 | 112.4 | M207 V208 Y214 C215 | M207-M211 WeakPolarHBondContact O-CB 3.13Å; M207-M211 PolarHBondContact O-N 3.26Å; V208-M211 PolarHBondContact O-N 3.48Å; M211-Y214 HydrophobicContact CE-CD1 4.33Å; M211-Y214 PolarHBondContact O-N 3.25Å; M211-Y214 HydrophobicContact SD-CD1 3.99Å; M211-Y214 HydrophobicContact SD-CG 4.39Å; M211-C215 WeakPolarHBondContact O-CB 3.38Å; M211-C215 PolarHBondContact O-N 3.48Å; M211-C215 PolarHBondContact O-SG 3.28Å; M211-C215 VanDerWaalsContact O-SG 3.39Å |
| 212 | M | 92.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173 | -75.7 | -166.4 | -59.8 | 0 | 0 | 111.7 | V7 V208 F209 S210 C215 Q216 | V7-M212 HydrophobicContact CG1-CE 4.49Å; V208-M212 HydrophobicContact CG1-CE 3.89Å; V208-M212 HydrophobicContact CG1-SD 4.36Å; V208-M212 WeakPolarHBondContact O-CB 3.32Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.12Å; V208-M212 PolarHBondContact O-N 3.39Å; F209-M212 HydrophobicContact CD1-CE 3.18Å; F209-M212 HydrophobicContact CE1-CE 3.56Å; F209-M212 HydrophobicContact CG-CE 4.12Å; F209-M212 PolarHBondContact O-N 2.91Å; S210-M212 PolarHBondContact O-N 3.23Å; M212-C215 PolarHBondContact O-N 3.4Å; M212-Q216 WeakPolarHBondContact O-CB 3.36Å; M212-Q216 VanDerWaalsContact O-CG 3.25Å; M212-Q216 WeakPolarHBondContact O-CG 3.15Å; M212-Q216 PolarHBondContact O-N 3.38Å |
| 213 | L | 91.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 176.6 | -73.6 | -178.4 | 0 | 0 | 0 | 111.8 | V3 V7 K8 L11 A70 L78 F209 S210 C215 Q216 I217 | V3-L213 HydrophobicContact CG1-CD2 3.71Å; V7-L213 HydrophobicContact CB-CD2 4.42Å; V7-L213 HydrophobicContact CG1-CD1 4.4Å; V7-L213 HydrophobicContact CG1-CD2 3.91Å; V7-L213 HydrophobicContact CG1-CG 3.9Å; K8-L213 HydrophobicContact CB-CD2 4.27Å; L11-L213 HydrophobicContact CB-CD1 4.17Å; L11-L213 HydrophobicContact CD2-CD1 3.44Å; L11-L213 VanDerWaalsContact CD2-CD1 3.44Å; L11-L213 HydrophobicContact CG-CD1 4.43Å; A70-L213 HydrophobicContact CB-CD1 4.46Å; L78-L213 HydrophobicContact CD1-CB 3.99Å; F209-L213 PolarHBondContact O-N 2.87Å; S210-L213 PolarHBondContact O-N 3.04Å; L213-C215 VanDerWaalsContact C-N 3.31Å; L213-C215 PolarHBondContact O-N 3.4Å; L213-Q216 PolarHBondContact O-N 3.06Å; L213-I217 HydrophobicContact CB-CD1 4.45Å; L213-I217 WeakPolarHBondContact O-CB 3.49Å; L213-I217 WeakPolarHBondContact O-CD1 3.28Å; L213-I217 WeakPolarHBondContact O-CG1 3.31Å; L213-I217 PolarHBondContact O-N 3.25Å |
| 214 | Y | 93.5 | Very high | 90.5 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54 | -47.9 | 176.4 | 178.8 | -88.7 | 0 | 0 | 0 | 111.9 | R75 L79 S210 M211 G218 | R75-Y214 HydrophobicContact CB-CD2 3.86Å; R75-Y214 HydrophobicContact CB-CE2 3.6Å; R75-Y214 HydrophobicContact CG-CD2 4.29Å; R75-Y214 HydrophobicContact CG-CE2 4.27Å; R75-Y214 PolarHBondContact NE-O 3.05Å; R75-Y214 PolarHBondContact NH2-O 2.72Å; R75-Y214 WeakPolarHBondContact O-CD2 3.43Å; R75-Y214 WeakPolarHBondContact O-CE2 3.23Å; L79-Y214 HydrophobicContact CB-CD2 4.42Å; L79-Y214 HydrophobicContact CB-CE2 4.13Å; S210-Y214 WeakPolarHBondContact O-CB 3.4Å; S210-Y214 PolarHBondContact O-N 3.49Å; M211-Y214 HydrophobicContact CE-CD1 4.33Å; M211-Y214 PolarHBondContact O-N 3.25Å; M211-Y214 HydrophobicContact SD-CD1 3.99Å; M211-Y214 HydrophobicContact SD-CG 4.39Å; Y214-G218 PolarHBondContact O-N 3.16Å |
| 215 | C | 91.6 | Very high | 89.7 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 28% | 0.277 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 177.2 | -75.7 | 0 | 0 | 0 | 0 | 112.4 | M211 M212 L213 I217 G218 R219 | M211-C215 WeakPolarHBondContact O-CB 3.38Å; M211-C215 PolarHBondContact O-N 3.48Å; M211-C215 PolarHBondContact O-SG 3.28Å; M211-C215 VanDerWaalsContact O-SG 3.39Å; M212-C215 PolarHBondContact O-N 3.4Å; L213-C215 VanDerWaalsContact C-N 3.31Å; L213-C215 PolarHBondContact O-N 3.4Å; C215-I217 VanDerWaalsContact C-N 3.34Å; C215-I217 PolarHBondContact O-N 3.04Å; C215-G218 PolarHBondContact O-N 3.25Å; C215-R219 WeakPolarHBondContact O-CG 3.37Å; C215-R219 PolarHBondContact O-N 3.34Å; C215-R219 VanDerWaalsContact O-N 3.14Å |
| 216 | Q | 90.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.2 | -74.1 | 175.9 | 17.6 | 0 | 0 | 112 | V3 M212 L213 G218 R219 K220 | V3-Q216 HydrophobicContact CG2-CB 4.37Å; M212-Q216 WeakPolarHBondContact O-CB 3.36Å; M212-Q216 VanDerWaalsContact O-CG 3.25Å; M212-Q216 WeakPolarHBondContact O-CG 3.15Å; M212-Q216 PolarHBondContact O-N 3.38Å; L213-Q216 PolarHBondContact O-N 3.06Å; Q216-G218 PolarHBondContact O-N 3.08Å; Q216-R219 PolarHBondContact O-N 2.83Å; Q216-K220 PolarHBondContact O-N 3.1Å; Q216-K220 VanDerWaalsContact O-N 3.11Å |
| 217 | I | 89.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | -178.2 | -71.7 | 162.3 | 0 | 0 | 0 | 111.2 | E73 R75 L78 L213 C215 K220 W221 | E73-I217 HydrophobicContact CB-CD1 3.86Å; E73-I217 HydrophobicContact CB-CG1 4.07Å; E73-I217 HydrophobicContact CB-CG2 4.47Å; E73-I217 HydrophobicContact CG-CD1 4.31Å; E73-I217 HydrophobicContact CG-CG1 4.42Å; E73-I217 WeakPolarHBondContact O-CG2 3.4Å; R75-I217 HydrophobicContact CG-CB 4.18Å; R75-I217 HydrophobicContact CG-CG2 3.52Å; L78-I217 HydrophobicContact CD1-CD1 3.51Å; L213-I217 HydrophobicContact CB-CD1 4.45Å; L213-I217 WeakPolarHBondContact O-CB 3.49Å; L213-I217 WeakPolarHBondContact O-CD1 3.28Å; L213-I217 WeakPolarHBondContact O-CG1 3.31Å; L213-I217 PolarHBondContact O-N 3.25Å; C215-I217 VanDerWaalsContact C-N 3.34Å; C215-I217 PolarHBondContact O-N 3.04Å; I217-K220 VanDerWaalsContact O-CB 3.3Å; I217-K220 WeakPolarHBondContact O-CB 3.3Å; I217-K220 PolarHBondContact O-N 2.96Å; I217-W221 PolarHBondContact O-N 3.35Å |
| 218 | G | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -81.5 | -24.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R75 Y214 C215 Q216 K220 W221 Q222 | R75-G218 VanDerWaalsContact CZ-N 3.27Å; R75-G218 VanDerWaalsContact NE-N 3.18Å; R75-G218 VanDerWaalsContact NH2-N 3.16Å; Y214-G218 PolarHBondContact O-N 3.16Å; C215-G218 PolarHBondContact O-N 3.25Å; Q216-G218 PolarHBondContact O-N 3.08Å; G218-K220 PolarHBondContact O-N 3.5Å; G218-W221 PolarHBondContact O-N 2.9Å; G218-Q222 WeakPolarHBondContact O-CB 3.39Å; G218-Q222 WeakPolarHBondContact O-CG 3.39Å; G218-Q222 PolarHBondContact O-N 2.89Å |
| 219 | R | 87.7 | Confident | 86.6 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -33.1 | 165.7 | -72.7 | -168.3 | -63.2 | -109.2 | 4.8 | 110.5 | C215 Q216 K223 | C215-R219 WeakPolarHBondContact O-CG 3.37Å; C215-R219 PolarHBondContact O-N 3.34Å; C215-R219 VanDerWaalsContact O-N 3.14Å; Q216-R219 PolarHBondContact O-N 2.83Å; R219-K223 VanDerWaalsContact O-CG 3.3Å; R219-K223 WeakPolarHBondContact O-CG 3.37Å; R219-K223 PolarHBondContact O-N 2.7Å |
| 220 | K | 85.8 | Confident | 86.2 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 37% | 0.365 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.4 | -47.5 | 171.7 | 173.1 | -175.8 | 171.8 | -170.4 | 0 | 111.6 | V3 E73 Q216 I217 G218 K223 L224 | V3-K220 HydrophobicContact CG2-CD 4.33Å; E73-K220 IonicContact OE2-NZ 3.45Å; E73-K220 PolarHBondContact OE2-NZ 3.34Å; Q216-K220 PolarHBondContact O-N 3.1Å; Q216-K220 VanDerWaalsContact O-N 3.11Å; I217-K220 VanDerWaalsContact O-CB 3.3Å; I217-K220 WeakPolarHBondContact O-CB 3.3Å; I217-K220 PolarHBondContact O-N 2.96Å; G218-K220 PolarHBondContact O-N 3.5Å; K220-K223 PolarHBondContact O-N 2.98Å; K220-L224 HydrophobicContact CG-CD1 4.3Å; K220-L224 PolarHBondContact O-N 3.4Å |
| 221 | W | 82.5 | Confident | 85.7 | Confident | 148 Ų | 148 | 82.3 Ų | 82.3 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 177 | -74 | 103.7 | 0 | 0 | 0 | 113.7 | I217 G218 K223 L224 T225 | I217-W221 PolarHBondContact O-N 3.35Å; G218-W221 PolarHBondContact O-N 2.9Å; W221-K223 PolarHBondContact O-N 2.93Å; W221-L224 PolarHBondContact O-N 3.46Å; W221-L224 VanDerWaalsContact O-N 3.11Å; W221-T225 PolarHBondContact O-N 3.44Å; W221-T225 VanDerWaalsContact O-N 3.08Å; W221-T225 PolarHBondContact O-OG1 2.96Å |
| 222 | Q | 85.1 | Confident | 85.2 | Confident | 125 Ų | 125 | 82.2 Ų | 82.2 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.3 | -35.7 | 177.5 | -77.1 | 177.8 | -51.6 | 0 | 0 | 112.5 | G218 T225 L226 | G218-Q222 WeakPolarHBondContact O-CB 3.39Å; G218-Q222 WeakPolarHBondContact O-CG 3.39Å; G218-Q222 PolarHBondContact O-N 2.89Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.08Å; Q222-T225 PolarHBondContact O-OG1 2.74Å; Q222-L226 WeakPolarHBondContact O-CB 3.38Å; Q222-L226 WeakPolarHBondContact O-CD1 3.42Å; Q222-L226 VanDerWaalsContact O-CG 3.26Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 2.94Å |
| 223 | K | 81.3 | Confident | 84.7 | Confident | 127 Ų | 127 | 82.9 Ų | 82.9 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71 | -36.8 | 176.2 | -74.6 | -177.3 | 179.6 | -151.6 | 0 | 112.7 | R219 K220 W221 T225 L226 A227 | R219-K223 VanDerWaalsContact O-CG 3.3Å; R219-K223 WeakPolarHBondContact O-CG 3.37Å; R219-K223 PolarHBondContact O-N 2.7Å; K220-K223 PolarHBondContact O-N 2.98Å; W221-K223 PolarHBondContact O-N 2.93Å; K223-T225 VanDerWaalsContact C-N 3.31Å; K223-L226 PolarHBondContact O-N 2.98Å; K223-A227 PolarHBondContact O-N 2.87Å |
| 224 | L | 81.9 | Confident | 84.2 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.5 | -29.1 | 177.3 | -72.7 | 166 | 0 | 0 | 0 | 112.5 | K220 W221 | K220-L224 HydrophobicContact CG-CD1 4.3Å; K220-L224 PolarHBondContact O-N 3.4Å; W221-L224 PolarHBondContact O-N 3.46Å; W221-L224 VanDerWaalsContact O-N 3.11Å |
| 225 | T | 79.8 | Confident | 83.5 | Confident | 107 Ų | 107 | 90.8 Ų | 90.8 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -81.5 | -15.7 | 176.1 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | W221 Q222 K223 | W221-T225 PolarHBondContact O-N 3.44Å; W221-T225 VanDerWaalsContact O-N 3.08Å; W221-T225 PolarHBondContact O-OG1 2.96Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.08Å; Q222-T225 PolarHBondContact O-OG1 2.74Å; K223-T225 VanDerWaalsContact C-N 3.31Å |
| 226 | L | 77.3 | Confident | 82.8 | Confident | 154 Ų | 154 | 95 Ų | 95 | 81% | 0.806 | 49% | 0.486 | S | S | * | . | trans | -103.2 | -0.7 | -178.4 | -71.3 | 171.8 | 0 | 0 | 0 | 113.2 | Q222 K223 | Q222-L226 WeakPolarHBondContact O-CB 3.38Å; Q222-L226 WeakPolarHBondContact O-CD1 3.42Å; Q222-L226 VanDerWaalsContact O-CG 3.26Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 2.94Å; K223-L226 PolarHBondContact O-N 2.98Å | ||
| 227 | A | 64 | Low | 82.1 | Confident | 140 Ų | 140 | 100.4 Ų | 100.4 | 100% | 1.157 | 52% | 0.515 | S | S | * | . | trans | -113.1 | 0 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | K223 | K223-A227 PolarHBondContact O-N 2.87Š|
Retrieved 227 of 227 residues in 487.5 ms
(Link to these results)