| 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 | 51.6 | Low | 84.2 | Confident | 237 Ų | 237 | 90.1 Ų | 90.1 | 100% | 1.167 | 46% | 0.464 | S | S | * | . | 0 | 97.2 | 0 | -170.1 | 175.5 | -76.8 | 0 | 0 | 107.9 | |||||
| 2 | A | 65.8 | Low | 85.2 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 81% | 0.81 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 124.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S4 | A2-S4 PolarHBondContact O-N 2.97Š|
| 3 | L | 77.9 | Confident | 86 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 127.6 | 176.3 | -164.9 | 64.7 | 0 | 0 | 0 | 109 | S7 S8 T215 Q222 | L3-S7 VanDerWaalsContact CD1-CB 3.47Å; L3-S8 WeakPolarHBondContact CD2-OG 3.25Å; L3-T215 HydrophobicContact CD2-CG2 3.87Å; L3-Q222 PolarHBondContact O-NE2 2.95Å |
| 4 | S | 87.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 43% | 0.427 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 154 | 179.6 | 81.7 | 0 | 0 | 0 | 0 | 111.2 | A2 R6 S7 S8 | A2-S4 PolarHBondContact O-N 2.97Å; S4-R6 PolarHBondContact O-N 3.08Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 WeakPolarHBondContact OG-CB 3.42Å; S4-S7 PolarHBondContact OG-N 2.94Å; S4-S7 PolarHBondContact OG-OG 2.6Å; S4-S8 PolarHBondContact O-N 3.08Å; S4-S8 PolarHBondContact O-OG 3.3Å |
| 5 | F | 88.4 | Confident | 87.3 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -50.2 | -46.1 | 177 | 176.7 | -91.5 | 0 | 0 | 0 | 112.2 | S8 K9 H69 Y219 Q222 D224 P225 | F5-S8 PolarHBondContact O-N 3.31Å; F5-K9 HydrophobicContact CE1-CD 4.43Å; F5-K9 WeakPolarHBondContact O-CB 3.24Å; F5-K9 PolarHBondContact O-N 2.63Å; F5-H69 AromaticContact CE2-CD2 3.42Å; F5-H69 VanDerWaalsContact CE2-CD2 3.42Å; F5-H69 WeakPolarHBondContact CE2-CD2 3.32Å; F5-H69 AromaticContact CE2-NE2 3.47Å; F5-H69 WeakPolarHBondContact CE2-NE2 3.3Å; F5-H69 AromaticContact CZ-CD2 3.66Å; F5-Y219 HydrophobicContact CD2-CD2 4.19Å; F5-Y219 AromaticContact CD2-CE2 3.87Å; F5-Y219 HydrophobicContact CD2-CE2 3.87Å; F5-Y219 HydrophobicContact CE1-CE2 4.29Å; F5-Y219 HydrophobicContact CE2-CD2 4.22Å; F5-Y219 AromaticContact CE2-CE2 3.57Å; F5-Y219 HydrophobicContact CE2-CE2 3.57Å; F5-Y219 HydrophobicContact CG-CE2 4.38Å; F5-Y219 AromaticContact CZ-CE2 3.8Å; F5-Y219 HydrophobicContact CZ-CE2 3.8Å; F5-Q222 HydrophobicContact CD2-CB 3.83Å; F5-D224 HydrophobicContact CE2-CB 4.15Å; F5-D224 HydrophobicContact CZ-CB 3.85Å; F5-P225 HydrophobicContact CB-CG 4.46Å; F5-P225 VanDerWaalsContact CD1-CD 3.47Å; F5-P225 HydrophobicContact CD1-CG 3.96Å; F5-P225 HydrophobicContact CE1-CG 4.46Å; F5-P225 HydrophobicContact CG-CG 4.26Å |
| 6 | R | 89.4 | Confident | 87.9 | Confident | 178 Ų | 178 | 71.3 Ų | 71.3 | 67% | 0.672 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 179.3 | -176.9 | 178.1 | -83.1 | -171.3 | -0.7 | 111.5 | S4 K9 Y10 | S4-R6 PolarHBondContact O-N 3.08Å; R6-K9 PolarHBondContact O-N 2.03Å; R6-Y10 HydrophobicContact CG-CD2 3.64Å; R6-Y10 HydrophobicContact CG-CE2 3.27Å; R6-Y10 WeakPolarHBondContact O-CD2 3.06Å; R6-Y10 PolarHBondContact O-N 3.4Å |
| 7 | S | 91.1 | Very high | 88.5 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 112 | L3 S4 K9 Y10 L11 | L3-S7 VanDerWaalsContact CD1-CB 3.47Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 WeakPolarHBondContact OG-CB 3.42Å; S4-S7 PolarHBondContact OG-N 2.94Å; S4-S7 PolarHBondContact OG-OG 2.6Å; S7-K9 PolarHBondContact O-N 3.33Å; S7-Y10 PolarHBondContact O-N 3.4Å; S7-L11 WeakPolarHBondContact O-CB 3.08Å; S7-L11 PolarHBondContact O-N 2.84Å |
| 8 | S | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | L3 S4 F5 L11 L12 Q222 | L3-S8 WeakPolarHBondContact CD2-OG 3.25Å; S4-S8 PolarHBondContact O-N 3.08Å; S4-S8 PolarHBondContact O-OG 3.3Å; F5-S8 PolarHBondContact O-N 3.31Å; S8-L11 PolarHBondContact O-N 3.27Å; S8-L12 VanDerWaalsContact O-CG 3.32Å; S8-L12 WeakPolarHBondContact O-CG 3.45Å; S8-L12 PolarHBondContact O-N 3.26Å; S8-Q222 PolarHBondContact OG-OE1 3.29Å |
| 9 | K | 93.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 176.7 | -176.6 | 170.4 | -175.9 | 163.4 | 0 | 111.8 | F5 R6 S7 L12 I13 A66 I67 Y219 | F5-K9 HydrophobicContact CE1-CD 4.43Å; F5-K9 WeakPolarHBondContact O-CB 3.24Å; F5-K9 PolarHBondContact O-N 2.63Å; R6-K9 PolarHBondContact O-N 2.03Å; S7-K9 PolarHBondContact O-N 3.33Å; K9-L12 PolarHBondContact O-N 2.03Å; K9-I13 HydrophobicContact CG-CD1 3.85Å; K9-I13 VanDerWaalsContact O-CG1 3.27Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.09Å; K9-A66 WeakPolarHBondContact CE-O 2.96Å; K9-I67 PolarHBondContact NZ-O 3.16Å; K9-Y219 HydrophobicContact CB-CE2 3.74Å; K9-Y219 HydrophobicContact CG-CE2 4.4Å |
| 10 | Y | 94 | Very high | 89.8 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 54% | 0.541 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 179.5 | -74.4 | -58.2 | 0 | 0 | 0 | 112.9 | R6 S7 I13 T14 | R6-Y10 HydrophobicContact CG-CD2 3.64Å; R6-Y10 HydrophobicContact CG-CE2 3.27Å; R6-Y10 WeakPolarHBondContact O-CD2 3.06Å; R6-Y10 PolarHBondContact O-N 3.4Å; S7-Y10 PolarHBondContact O-N 3.4Å; Y10-I13 PolarHBondContact O-N 2.05Å; Y10-T14 WeakPolarHBondContact O-CB 3.34Å; Y10-T14 PolarHBondContact O-N 2.97Å; Y10-T14 PolarHBondContact O-OG1 2.95Å |
| 11 | L | 94.9 | Very high | 90.1 | Very high | 85 Ų | 85 | 70.2 Ų | 70.2 | 45% | 0.445 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.9 | -166.7 | 88.4 | 0 | 0 | 0 | 110.8 | S7 S8 T14 L15 T215 | S7-L11 WeakPolarHBondContact O-CB 3.08Å; S7-L11 PolarHBondContact O-N 2.84Å; S8-L11 PolarHBondContact O-N 3.27Å; L11-T14 PolarHBondContact O-N 2.99Å; L11-L15 WeakPolarHBondContact O-CB 2.91Å; L11-L15 PolarHBondContact O-N 3.06Å; L11-T215 HydrophobicContact CB-CG2 4.44Å; L11-T215 HydrophobicContact CD2-CG2 3.68Å; L11-T215 WeakPolarHBondContact CD2-OG1 2.97Å |
| 12 | L | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.8 | -70.5 | 167.8 | 0 | 0 | 0 | 112 | S8 K9 L15 N16 A66 Y77 T215 A216 Y219 | S8-L12 VanDerWaalsContact O-CG 3.32Å; S8-L12 WeakPolarHBondContact O-CG 3.45Å; S8-L12 PolarHBondContact O-N 3.26Å; K9-L12 PolarHBondContact O-N 2.03Å; L12-L15 PolarHBondContact O-N 3.25Å; L12-N16 WeakPolarHBondContact O-CB 2.98Å; L12-N16 PolarHBondContact O-N 3.08Å; L12-N16 PolarHBondContact O-ND2 3.06Å; L12-A66 HydrophobicContact CB-CB 3.95Å; L12-Y77 HydrophobicContact CD2-CE1 4.25Å; L12-T215 HydrophobicContact CD1-CG2 4.43Å; L12-T215 HydrophobicContact CD2-CG2 4.36Å; L12-T215 HydrophobicContact CG-CG2 4.08Å; L12-A216 HydrophobicContact CD2-CB 3.87Å; L12-Y219 HydrophobicContact CD1-CD1 3.54Å; L12-Y219 HydrophobicContact CD1-CE1 4.29Å; L12-Y219 HydrophobicContact CD1-CG 3.69Å |
| 13 | I | 96.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.2 | -69.7 | 168.8 | 0 | 0 | 0 | 110 | K9 Y10 L15 N16 L17 L63 A66 I67 | K9-I13 HydrophobicContact CG-CD1 3.85Å; K9-I13 VanDerWaalsContact O-CG1 3.27Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.09Å; Y10-I13 PolarHBondContact O-N 2.05Å; I13-L15 PolarHBondContact O-N 2.99Å; I13-N16 PolarHBondContact O-N 3.19Å; I13-L17 HydrophobicContact CG2-CD1 3.98Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 2.75Å; I13-L63 HydrophobicContact CB-CD1 4.41Å; I13-L63 HydrophobicContact CG1-CD1 4.24Å; I13-L63 HydrophobicContact CG2-CD1 3.95Å; I13-A66 HydrophobicContact CG1-CB 3.9Å; I13-I67 HydrophobicContact CD1-CG1 4.16Å; I13-I67 HydrophobicContact CG1-CG1 4.37Å |
| 14 | T | 96 | Very high | 94.7 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 57% | 0.571 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.1 | -45.1 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | Y10 L11 N16 L17 L18 | Y10-T14 WeakPolarHBondContact O-CB 3.34Å; Y10-T14 PolarHBondContact O-N 2.97Å; Y10-T14 PolarHBondContact O-OG1 2.95Å; L11-T14 PolarHBondContact O-N 2.99Å; T14-N16 PolarHBondContact O-N 2.96Å; T14-L17 PolarHBondContact O-N 2.01Å; T14-L18 PolarHBondContact O-N 3.38Å |
| 15 | L | 95.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 177.8 | -176.7 | 67.2 | 0 | 0 | 0 | 111.6 | L11 L12 I13 L18 Y19 I208 | L11-L15 WeakPolarHBondContact O-CB 2.91Å; L11-L15 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 3.25Å; I13-L15 PolarHBondContact O-N 2.99Å; L15-L18 WeakPolarHBondContact O-CB 3.42Å; L15-L18 PolarHBondContact O-N 3.01Å; L15-Y19 HydrophobicContact CD1-CE1 4.08Å; L15-Y19 HydrophobicContact CD1-CE2 4.07Å; L15-Y19 HydrophobicContact CD2-CE2 4.04Å; L15-Y19 HydrophobicContact CG-CD2 4.28Å; L15-Y19 HydrophobicContact CG-CE2 3.71Å; L15-Y19 PolarHBondContact O-N 3.08Å; L15-I208 HydrophobicContact CD1-CG2 4.49Å |
| 16 | N | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.8 | -30.6 | -179.7 | -73.6 | -68.6 | 0 | 0 | 0 | 112.9 | L12 I13 T14 L18 Y19 L20 L63 Y77 | L12-N16 WeakPolarHBondContact O-CB 2.98Å; L12-N16 PolarHBondContact O-N 3.08Å; L12-N16 PolarHBondContact O-ND2 3.06Å; I13-N16 PolarHBondContact O-N 3.19Å; T14-N16 PolarHBondContact O-N 2.96Å; N16-L18 VanDerWaalsContact C-N 3.35Å; N16-Y19 PolarHBondContact O-N 3.26Å; N16-L20 WeakPolarHBondContact O-CB 3.07Å; N16-L20 PolarHBondContact O-N 3.32Å; N16-L63 HydrophobicContact CB-CB 4.36Å; N16-Y77 PolarHBondContact ND2-OH 3.02Å; N16-Y77 WeakPolarHBondContact OD1-CE2 3.35Å; N16-Y77 PolarHBondContact OD1-OH 3.24Å |
| 17 | L | 97.5 | Very high | 95.8 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 169.8 | -72.5 | 175.8 | 0 | 0 | 0 | 111.4 | I13 T14 L20 V21 L63 | I13-L17 HydrophobicContact CG2-CD1 3.98Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 2.75Å; T14-L17 PolarHBondContact O-N 2.01Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.49Å; L17-V21 PolarHBondContact O-N 3.07Å; L17-L63 HydrophobicContact CD2-CD2 4.48Å |
| 18 | L | 96.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 52% | 0.518 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 173.5 | -177.2 | 71.1 | 0 | 0 | 0 | 111.3 | T14 L15 N16 L20 V21 I22 | T14-L18 PolarHBondContact O-N 3.38Å; L15-L18 WeakPolarHBondContact O-CB 3.42Å; L15-L18 PolarHBondContact O-N 3.01Å; N16-L18 VanDerWaalsContact C-N 3.35Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.2Å; L18-V21 PolarHBondContact O-N 3.37Å; L18-I22 HydrophobicContact CG-CD1 4.1Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 2.7Å |
| 19 | Y | 96.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 61 Ų | 61 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 175.9 | -67.7 | -22.5 | 0 | 0 | 0 | 112.8 | L15 N16 I22 A23 L58 L81 | L15-Y19 HydrophobicContact CD1-CE1 4.08Å; L15-Y19 HydrophobicContact CD1-CE2 4.07Å; L15-Y19 HydrophobicContact CD2-CE2 4.04Å; L15-Y19 HydrophobicContact CG-CD2 4.28Å; L15-Y19 HydrophobicContact CG-CE2 3.71Å; L15-Y19 PolarHBondContact O-N 3.08Å; N16-Y19 PolarHBondContact O-N 3.26Å; Y19-I22 PolarHBondContact O-N 3.07Å; Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.24Å; Y19-L58 HydrophobicContact CD2-CD2 3.94Å; Y19-L58 HydrophobicContact CE2-CD2 4.31Å; Y19-L81 HydrophobicContact CE2-CD2 4Å |
| 20 | L | 97.5 | Very high | 95.7 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.5 | -172 | 68.6 | 0 | 0 | 0 | 111.5 | N16 L17 L18 A23 F24 F56 A59 V60 | N16-L20 WeakPolarHBondContact O-CB 3.07Å; N16-L20 PolarHBondContact O-N 3.32Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.25Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.2Å; L20-A23 WeakPolarHBondContact O-CB 3.21Å; L20-A23 PolarHBondContact O-N 3.44Å; L20-F24 HydrophobicContact CD1-CE2 3.88Å; L20-F24 HydrophobicContact CD1-CZ 4.46Å; L20-F24 HydrophobicContact CD2-CE2 4.23Å; L20-F24 HydrophobicContact CG-CD2 4.14Å; L20-F24 HydrophobicContact CG-CE2 3.7Å; L20-F24 WeakPolarHBondContact O-CD2 3.43Å; L20-F24 PolarHBondContact O-N 2.03Å; L20-F24 VanDerWaalsContact O-N 3.12Å; L20-F56 HydrophobicContact CD1-CD2 3.49Å; L20-F56 VanDerWaalsContact CD1-CD2 3.49Å; L20-F56 HydrophobicContact CD1-CE2 3.59Å; L20-F56 HydrophobicContact CD1-CG 4.47Å; L20-A59 HydrophobicContact CB-CB 4.1Å; L20-A59 HydrophobicContact CD1-CB 4.38Å; L20-V60 HydrophobicContact CD1-CG2 4.48Å |
| 21 | V | 97.7 | Very high | 95.5 | Very high | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | L17 L18 A23 F24 I25 | L17-V21 WeakPolarHBondContact O-CG2 3.49Å; L17-V21 PolarHBondContact O-N 3.07Å; L18-V21 PolarHBondContact O-N 3.37Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.27Å; V21-F24 PolarHBondContact O-N 3.32Å; V21-I25 HydrophobicContact CG1-CD1 3.92Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 3.14Å |
| 22 | I | 96.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 58 Ų | 58 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 177.6 | -67.2 | 167.8 | 0 | 0 | 0 | 110.8 | L18 Y19 F24 I25 L26 L55 | L18-I22 HydrophobicContact CG-CD1 4.1Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 2.7Å; Y19-I22 PolarHBondContact O-N 3.07Å; I22-F24 PolarHBondContact O-N 3.31Å; I22-I25 PolarHBondContact O-N 3.42Å; I22-L26 HydrophobicContact CG2-CD1 3.95Å; I22-L26 HydrophobicContact CG2-CG 4.2Å; I22-L26 WeakPolarHBondContact O-CG 3.25Å; I22-L26 PolarHBondContact O-N 2.87Å; I22-L55 HydrophobicContact CG2-CD1 4.42Å |
| 23 | A | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y19 L20 V21 I25 L26 V27 G52 L55 F56 | Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.24Å; L20-A23 WeakPolarHBondContact O-CB 3.21Å; L20-A23 PolarHBondContact O-N 3.44Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.27Å; A23-I25 PolarHBondContact O-N 2.93Å; A23-L26 PolarHBondContact O-N 2.85Å; A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 3.45Å; A23-G52 WeakPolarHBondContact CB-O 3.48Å; A23-L55 HydrophobicContact CB-CB 4.07Å; A23-F56 HydrophobicContact CB-CB 3.96Å |
| 24 | F | 97.3 | Very high | 94.2 | Very high | 125 Ų | 125 | 63.6 Ų | 63.6 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.7 | -75.5 | -60.4 | 0 | 0 | 0 | 112.7 | L20 V21 I22 G28 F56 | L20-F24 HydrophobicContact CD1-CE2 3.88Å; L20-F24 HydrophobicContact CD1-CZ 4.46Å; L20-F24 HydrophobicContact CD2-CE2 4.23Å; L20-F24 HydrophobicContact CG-CD2 4.14Å; L20-F24 HydrophobicContact CG-CE2 3.7Å; L20-F24 WeakPolarHBondContact O-CD2 3.43Å; L20-F24 PolarHBondContact O-N 2.03Å; L20-F24 VanDerWaalsContact O-N 3.12Å; V21-F24 PolarHBondContact O-N 3.32Å; I22-F24 PolarHBondContact O-N 3.31Å; F24-G28 PolarHBondContact O-N 3.38Å; F24-F56 HydrophobicContact CE1-CE2 4.28Å; F24-F56 HydrophobicContact CE2-CE2 4.43Å; F24-F56 HydrophobicContact CZ-CD2 4.25Å; F24-F56 AromaticContact CZ-CE2 3.8Å; F24-F56 HydrophobicContact CZ-CE2 3.8Å |
| 25 | I | 97.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.1 | -67.2 | 168.3 | 0 | 0 | 0 | 110.5 | V21 I22 A23 V27 G28 V29 | V21-I25 HydrophobicContact CG1-CD1 3.92Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 3.14Å; I22-I25 PolarHBondContact O-N 3.42Å; A23-I25 PolarHBondContact O-N 2.93Å; I25-V27 PolarHBondContact O-N 2.9Å; I25-G28 PolarHBondContact O-N 2.89Å; I25-V29 HydrophobicContact CG2-CG2 4.11Å; I25-V29 WeakPolarHBondContact O-CB 3.08Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.36Å |
| 26 | L | 95.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | -179.8 | -71.6 | 174.5 | 0 | 0 | 0 | 111.8 | I22 A23 A30 I48 L55 | I22-L26 HydrophobicContact CG2-CD1 3.95Å; I22-L26 HydrophobicContact CG2-CG 4.2Å; I22-L26 WeakPolarHBondContact O-CG 3.25Å; I22-L26 PolarHBondContact O-N 2.87Å; A23-L26 PolarHBondContact O-N 2.85Å; L26-A30 WeakPolarHBondContact O-CB 3.33Å; L26-A30 PolarHBondContact O-N 2.94Å; L26-A30 VanDerWaalsContact O-N 3.1Å; L26-I48 HydrophobicContact CB-CG2 4.37Å; L26-I48 HydrophobicContact CD2-CG2 4.17Å; L26-L55 HydrophobicContact CD1-CD1 3.66Å |
| 27 | V | 95.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 74.8 Ų | 74.8 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 178.4 | 177 | 0 | 0 | 0 | 0 | 110.9 | A23 I25 A30 A31 V53 | A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 3.45Å; I25-V27 PolarHBondContact O-N 2.9Å; V27-A30 PolarHBondContact O-N 2.67Å; V27-A31 VanDerWaalsContact O-CB 3.27Å; V27-A31 WeakPolarHBondContact O-CB 3.05Å; V27-A31 PolarHBondContact O-N 2.74Å; V27-V53 HydrophobicContact CG2-CG2 4.4Å |
| 28 | G | 93.2 | Very high | 89.3 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F24 I25 A31 Y32 | F24-G28 PolarHBondContact O-N 3.38Å; I25-G28 PolarHBondContact O-N 2.89Å; G28-A31 PolarHBondContact O-N 2.91Å; G28-Y32 WeakPolarHBondContact O-CB 3.46Å; G28-Y32 PolarHBondContact O-N 2.9Å |
| 29 | V | 92.5 | Very high | 87.3 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I25 Y32 A33 | I25-V29 HydrophobicContact CG2-CG2 4.11Å; I25-V29 WeakPolarHBondContact O-CB 3.08Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.36Å; V29-Y32 PolarHBondContact O-N 3.35Å; V29-A33 WeakPolarHBondContact O-CB 3.07Å; V29-A33 PolarHBondContact O-N 2.91Å |
| 30 | A | 90 | Very high | 85.8 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 2% | 0.017 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L26 V27 A33 R34 V45 I48 I49 | L26-A30 WeakPolarHBondContact O-CB 3.33Å; L26-A30 PolarHBondContact O-N 2.94Å; L26-A30 VanDerWaalsContact O-N 3.1Å; V27-A30 PolarHBondContact O-N 2.67Å; A30-A33 PolarHBondContact O-N 2.77Å; A30-R34 PolarHBondContact O-N 3.1Å; A30-V45 HydrophobicContact CB-CG1 3.94Å; A30-V45 VanDerWaalsContact O-CG1 3.28Å; A30-V45 WeakPolarHBondContact O-CG1 3.31Å; A30-I48 HydrophobicContact CB-CB 4.06Å; A30-I48 HydrophobicContact CB-CG2 3.75Å; A30-I49 HydrophobicContact CB-CD1 4.3Å; A30-I49 HydrophobicContact CB-CG1 3.53Å |
| 31 | A | 89.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V27 G28 R34 L35 | V27-A31 VanDerWaalsContact O-CB 3.27Å; V27-A31 WeakPolarHBondContact O-CB 3.05Å; V27-A31 PolarHBondContact O-N 2.74Å; G28-A31 PolarHBondContact O-N 2.91Å; A31-R34 WeakPolarHBondContact O-CB 3Å; A31-R34 PolarHBondContact O-N 3.35Å; A31-L35 WeakPolarHBondContact O-CG 2.97Å; A31-L35 PolarHBondContact O-N 2.74Å |
| 32 | Y | 89.7 | Confident | 83.8 | Confident | 169 Ų | 169 | 83.1 Ų | 83.1 | 66% | 0.663 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 175.2 | -178 | -96.8 | 0 | 0 | 0 | 112.6 | G28 V29 R34 L35 S36 | G28-Y32 WeakPolarHBondContact O-CB 3.46Å; G28-Y32 PolarHBondContact O-N 2.9Å; V29-Y32 PolarHBondContact O-N 3.35Å; Y32-R34 VanDerWaalsContact C-N 3.26Å; Y32-R34 PolarHBondContact O-N 3.2Å; Y32-L35 PolarHBondContact O-N 2.84Å; Y32-L35 VanDerWaalsContact O-N 3.14Å; Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.36Å |
| 33 | A | 86.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V29 A30 S36 | V29-A33 WeakPolarHBondContact O-CB 3.07Å; V29-A33 PolarHBondContact O-N 2.91Å; A30-A33 PolarHBondContact O-N 2.77Å; A33-S36 PolarHBondContact O-N 3.2Å |
| 34 | R | 83.2 | Confident | 82.7 | Confident | 122 Ų | 122 | 92.9 Ų | 92.9 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 173.6 | -98.9 | -81 | -172.4 | -171.9 | 7.3 | 113.8 | A30 A31 Y32 V45 | A30-R34 PolarHBondContact O-N 3.1Å; A31-R34 WeakPolarHBondContact O-CB 3Å; A31-R34 PolarHBondContact O-N 3.35Å; Y32-R34 VanDerWaalsContact C-N 3.26Å; Y32-R34 PolarHBondContact O-N 3.2Å; R34-V45 HydrophobicContact CG-CB 4.2Å; R34-V45 HydrophobicContact CG-CG1 3.55Å |
| 35 | L | 82.7 | Confident | 82.3 | Confident | 149 Ų | 149 | 87.1 Ų | 87.1 | 78% | 0.78 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -81.3 | -20.4 | 178.4 | -64 | 174.6 | 0 | 0 | 0 | 112.3 | A31 Y32 | A31-L35 WeakPolarHBondContact O-CG 2.97Å; A31-L35 PolarHBondContact O-N 2.74Å; Y32-L35 PolarHBondContact O-N 2.84Å; Y32-L35 VanDerWaalsContact O-N 3.14Å |
| 36 | S | 77.6 | Confident | 81.9 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 22% | 0.224 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -70.9 | 138.9 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | Y32 A33 Y38 | Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.36Å; A33-S36 PolarHBondContact O-N 3.2Å; S36-Y38 PolarHBondContact O-N 2.82Å |
| 37 | I | 62 | Low | 81.8 | Confident | 170 Ų | 170 | 83.2 Ų | 83.2 | 87% | 0.872 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -64.5 | -10.2 | 177.6 | -60.1 | 170.5 | 0 | 0 | 0 | 111.9 | V39 | I37-V39 PolarHBondContact O-N 3.33Å; I37-V39 VanDerWaalsContact O-N 3.16Å |
| 38 | Y | 61.1 | Low | 81.7 | Confident | 192 Ų | 192 | 84.1 Ų | 84.1 | 75% | 0.753 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -65.6 | 113.8 | 172.4 | -69.9 | -77.8 | 0 | 0 | 0 | 110.4 | S36 T40 | S36-Y38 PolarHBondContact O-N 2.82Å; Y38-T40 VanDerWaalsContact C-N 3.28Å; Y38-T40 PolarHBondContact O-N 2.86Å |
| 39 | V | 55.1 | Low | 81.7 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | trans | -60.6 | 88.2 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | I37 | I37-V39 PolarHBondContact O-N 3.33Å; I37-V39 VanDerWaalsContact O-N 3.16Å | ||
| 40 | T | 64 | Low | 81.8 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | trans | -91.9 | 137.1 | 167.3 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | Y38 V42 V45 | Y38-T40 VanDerWaalsContact C-N 3.28Å; Y38-T40 PolarHBondContact O-N 2.86Å; T40-V42 PolarHBondContact O-N 2.79Å; T40-V45 VanDerWaalsContact OG1-CG2 3.3Å; T40-V45 WeakPolarHBondContact OG1-CG2 3.17Å | ||
| 41 | S | 73.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 86.8 Ų | 86.8 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | trans | -61.1 | 126.3 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | H43 I44 V45 | S41-H43 PolarHBondContact O-N 2.87Å; S41-H43 PolarHBondContact OG-ND1 3.27Å; S41-I44 PolarHBondContact O-N 3.45Å; S41-V45 PolarHBondContact O-N 3.01Å | ||
| 42 | V | 80.1 | Confident | 82.4 | Confident | 81 Ų | 81 | 84.6 Ų | 84.6 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -42.1 | -39.3 | 173.5 | 160.5 | 0 | 0 | 0 | 0 | 111.8 | T40 G46 | T40-V42 PolarHBondContact O-N 2.79Å; V42-G46 PolarHBondContact O-N 3.01Å |
| 43 | H | 85.6 | Confident | 82.8 | Confident | 154 Ų | 154 | 80.3 Ų | 80.3 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.2 | -44.5 | -177.9 | -56.1 | 88.5 | 0 | 0 | 0 | 112.6 | S41 G46 G47 | S41-H43 PolarHBondContact O-N 2.87Å; S41-H43 PolarHBondContact OG-ND1 3.27Å; H43-G46 PolarHBondContact O-N 2.81Å; H43-G47 PolarHBondContact O-N 3.28Å |
| 44 | I | 85.1 | Confident | 83.3 | Confident | 114 Ų | 114 | 83 Ų | 83 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | -179.3 | -62.2 | 173.2 | 0 | 0 | 0 | 109.4 | S41 G46 G47 I48 | S41-I44 PolarHBondContact O-N 3.45Å; I44-G46 VanDerWaalsContact C-N 3.34Å; I44-G46 PolarHBondContact O-N 2.93Å; I44-G47 PolarHBondContact O-N 3.25Å; I44-I48 HydrophobicContact CG2-CD1 4.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.37Å; I44-I48 PolarHBondContact O-N 3.1Å; I44-I48 VanDerWaalsContact O-N 3.13Å |
| 45 | V | 88.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.024 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | -178.9 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | A30 R34 T40 S41 G47 I48 I49 | A30-V45 HydrophobicContact CB-CG1 3.94Å; A30-V45 VanDerWaalsContact O-CG1 3.28Å; A30-V45 WeakPolarHBondContact O-CG1 3.31Å; R34-V45 HydrophobicContact CG-CB 4.2Å; R34-V45 HydrophobicContact CG-CG1 3.55Å; T40-V45 VanDerWaalsContact OG1-CG2 3.3Å; T40-V45 WeakPolarHBondContact OG1-CG2 3.17Å; S41-V45 PolarHBondContact O-N 3.01Å; V45-G47 VanDerWaalsContact C-N 3.29Å; V45-G47 PolarHBondContact O-N 3.4Å; V45-I48 PolarHBondContact O-N 2.95Å; V45-I49 HydrophobicContact CG1-CD1 4.08Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.24Å; V45-I49 PolarHBondContact O-N 3.46Å |
| 46 | G | 90.2 | Very high | 84.6 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V42 H43 I44 I49 A50 | V42-G46 PolarHBondContact O-N 3.01Å; H43-G46 PolarHBondContact O-N 2.81Å; I44-G46 VanDerWaalsContact C-N 3.34Å; I44-G46 PolarHBondContact O-N 2.93Å; G46-I49 PolarHBondContact O-N 2.96Å; G46-A50 WeakPolarHBondContact O-CB 3.45Å; G46-A50 PolarHBondContact O-N 3.48Å |
| 47 | G | 92.3 | Very high | 85.6 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 35% | 0.351 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H43 I44 V45 I49 A50 C51 | H43-G47 PolarHBondContact O-N 3.28Å; I44-G47 PolarHBondContact O-N 3.25Å; V45-G47 VanDerWaalsContact C-N 3.29Å; V45-G47 PolarHBondContact O-N 3.4Å; G47-I49 PolarHBondContact O-N 3.25Å; G47-A50 PolarHBondContact O-N 2.88Å; G47-C51 PolarHBondContact O-N 2.99Å; G47-C51 PolarHBondContact O-SG 3.48Å |
| 48 | I | 93.7 | Very high | 87.2 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 35% | 0.349 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.2 | -60.2 | 168.9 | 0 | 0 | 0 | 111.1 | L26 A30 I44 V45 C51 G52 | L26-I48 HydrophobicContact CB-CG2 4.37Å; L26-I48 HydrophobicContact CD2-CG2 4.17Å; A30-I48 HydrophobicContact CB-CB 4.06Å; A30-I48 HydrophobicContact CB-CG2 3.75Å; I44-I48 HydrophobicContact CG2-CD1 4.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.37Å; I44-I48 PolarHBondContact O-N 3.1Å; I44-I48 VanDerWaalsContact O-N 3.13Å; V45-I48 PolarHBondContact O-N 2.95Å; I48-C51 PolarHBondContact O-N 3.05Å; I48-G52 PolarHBondContact O-N 3.34Å |
| 49 | I | 93.1 | Very high | 89 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.8 | -65.2 | 170.3 | 0 | 0 | 0 | 110.4 | A30 V45 G46 G47 C51 G52 V53 | A30-I49 HydrophobicContact CB-CD1 4.3Å; A30-I49 HydrophobicContact CB-CG1 3.53Å; V45-I49 HydrophobicContact CG1-CD1 4.08Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.24Å; V45-I49 PolarHBondContact O-N 3.46Å; G46-I49 PolarHBondContact O-N 2.96Å; G47-I49 PolarHBondContact O-N 3.25Å; I49-C51 PolarHBondContact O-N 3.16Å; I49-G52 PolarHBondContact O-N 3.34Å; I49-G52 VanDerWaalsContact O-N 3.16Å; I49-V53 HydrophobicContact CG2-CG2 4.37Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 3.01Å |
| 50 | A | 95.1 | Very high | 91 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | G46 G47 G52 V53 F54 | G46-A50 WeakPolarHBondContact O-CB 3.45Å; G46-A50 PolarHBondContact O-N 3.48Å; G47-A50 PolarHBondContact O-N 2.88Å; A50-G52 VanDerWaalsContact C-N 3.34Å; A50-G52 PolarHBondContact O-N 2.81Å; A50-V53 PolarHBondContact O-N 3.3Å; A50-F54 WeakPolarHBondContact O-CB 3.47Å; A50-F54 PolarHBondContact O-N 3.44Å |
| 51 | C | 95.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 173.9 | -70 | 0 | 0 | 0 | 0 | 112 | G47 I48 I49 F54 L55 | G47-C51 PolarHBondContact O-N 2.99Å; G47-C51 PolarHBondContact O-SG 3.48Å; I48-C51 PolarHBondContact O-N 3.05Å; I49-C51 PolarHBondContact O-N 3.16Å; C51-F54 PolarHBondContact O-N 3.34Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 WeakPolarHBondContact O-CG 3.2Å; C51-L55 PolarHBondContact O-N 2.67Å |
| 52 | G | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A23 I48 I49 A50 L55 F56 | A23-G52 WeakPolarHBondContact CB-O 3.48Å; I48-G52 PolarHBondContact O-N 3.34Å; I49-G52 PolarHBondContact O-N 3.34Å; I49-G52 VanDerWaalsContact O-N 3.16Å; A50-G52 VanDerWaalsContact C-N 3.34Å; A50-G52 PolarHBondContact O-N 2.81Å; G52-L55 PolarHBondContact O-N 2.87Å; G52-F56 PolarHBondContact O-N 3.35Å |
| 53 | V | 96.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 47% | 0.473 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | V27 I49 A50 F56 V57 | V27-V53 HydrophobicContact CG2-CG2 4.4Å; I49-V53 HydrophobicContact CG2-CG2 4.37Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 3.01Å; A50-V53 PolarHBondContact O-N 3.3Å; V53-F56 WeakPolarHBondContact O-CB 3.31Å; V53-F56 PolarHBondContact O-N 2.72Å; V53-V57 WeakPolarHBondContact O-CG2 3.49Å; V53-V57 PolarHBondContact O-N 2.8Å; V53-V57 VanDerWaalsContact O-N 3.07Å |
| 54 | F | 96.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.9 | 179 | -96.2 | 0 | 0 | 0 | 111.8 | A50 C51 F56 V57 L58 L80 L84 | A50-F54 WeakPolarHBondContact O-CB 3.47Å; A50-F54 PolarHBondContact O-N 3.44Å; C51-F54 PolarHBondContact O-N 3.34Å; F54-F56 VanDerWaalsContact C-N 3.3Å; F54-F56 PolarHBondContact O-N 3.26Å; F54-V57 PolarHBondContact O-N 3.31Å; F54-L58 HydrophobicContact CE1-CD1 4.12Å; F54-L58 WeakPolarHBondContact O-CB 3.42Å; F54-L58 PolarHBondContact O-N 3.41Å; F54-L80 HydrophobicContact CE2-CD2 4.37Å; F54-L80 HydrophobicContact CZ-CD2 4.2Å; F54-L84 HydrophobicContact CD1-CD2 4.4Å; F54-L84 HydrophobicContact CE1-CD1 3.9Å; F54-L84 HydrophobicContact CE1-CD2 3.69Å; F54-L84 HydrophobicContact CE1-CG 3.85Å |
| 55 | L | 97 | Very high | 95.4 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 175.9 | -75.1 | 173.8 | 0 | 0 | 0 | 112.4 | I22 A23 L26 C51 G52 L58 A59 L84 | I22-L55 HydrophobicContact CG2-CD1 4.42Å; A23-L55 HydrophobicContact CB-CB 4.07Å; L26-L55 HydrophobicContact CD1-CD1 3.66Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 WeakPolarHBondContact O-CG 3.2Å; C51-L55 PolarHBondContact O-N 2.67Å; G52-L55 PolarHBondContact O-N 2.87Å; L55-L58 PolarHBondContact O-N 3.49Å; L55-A59 VanDerWaalsContact O-CB 3.23Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.97Å; L55-L84 HydrophobicContact CD2-CD1 4.25Å |
| 56 | F | 97.7 | Very high | 95.6 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 174.1 | 177.4 | -90.8 | 0 | 0 | 0 | 111.6 | L20 A23 F24 G52 V53 F54 L58 A59 V60 | L20-F56 HydrophobicContact CD1-CD2 3.49Å; L20-F56 VanDerWaalsContact CD1-CD2 3.49Å; L20-F56 HydrophobicContact CD1-CE2 3.59Å; L20-F56 HydrophobicContact CD1-CG 4.47Å; A23-F56 HydrophobicContact CB-CB 3.96Å; F24-F56 HydrophobicContact CE1-CE2 4.28Å; F24-F56 HydrophobicContact CE2-CE2 4.43Å; F24-F56 HydrophobicContact CZ-CD2 4.25Å; F24-F56 AromaticContact CZ-CE2 3.8Å; F24-F56 HydrophobicContact CZ-CE2 3.8Å; G52-F56 PolarHBondContact O-N 3.35Å; V53-F56 WeakPolarHBondContact O-CB 3.31Å; V53-F56 PolarHBondContact O-N 2.72Å; F54-F56 VanDerWaalsContact C-N 3.3Å; F54-F56 PolarHBondContact O-N 3.26Å; F56-L58 VanDerWaalsContact C-N 3.34Å; F56-L58 PolarHBondContact O-N 2.95Å; F56-A59 PolarHBondContact O-N 3.49Å; F56-V60 HydrophobicContact CD1-CG2 4.33Å; F56-V60 HydrophobicContact CE1-CG2 3.94Å; F56-V60 HydrophobicContact CE2-CG2 4.35Å; F56-V60 HydrophobicContact CZ-CG2 3.94Å; F56-V60 WeakPolarHBondContact O-CG2 3.29Å; F56-V60 PolarHBondContact O-N 3.29Å |
| 57 | V | 96.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 178.5 | 174 | 0 | 0 | 0 | 0 | 110.8 | V53 F54 V60 A61 | V53-V57 WeakPolarHBondContact O-CG2 3.49Å; V53-V57 PolarHBondContact O-N 2.8Å; V53-V57 VanDerWaalsContact O-N 3.07Å; F54-V57 PolarHBondContact O-N 3.31Å; V57-V60 PolarHBondContact O-N 3.13Å; V57-A61 WeakPolarHBondContact O-CB 3.48Å; V57-A61 PolarHBondContact O-N 3Å |
| 58 | L | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.3 | -175.6 | 154.3 | 0 | 0 | 0 | 111.5 | Y19 F54 L55 F56 A61 G62 Y77 L80 L81 L84 | Y19-L58 HydrophobicContact CD2-CD2 3.94Å; Y19-L58 HydrophobicContact CE2-CD2 4.31Å; F54-L58 HydrophobicContact CE1-CD1 4.12Å; F54-L58 WeakPolarHBondContact O-CB 3.42Å; F54-L58 PolarHBondContact O-N 3.41Å; L55-L58 PolarHBondContact O-N 3.49Å; F56-L58 VanDerWaalsContact C-N 3.34Å; F56-L58 PolarHBondContact O-N 2.95Å; L58-A61 PolarHBondContact O-N 3.3Å; L58-G62 PolarHBondContact O-N 3.34Å; L58-Y77 HydrophobicContact CD2-CD2 4.17Å; L58-Y77 HydrophobicContact CD2-CE2 3.6Å; L58-Y77 HydrophobicContact CG-CD2 4.27Å; L58-Y77 HydrophobicContact CG-CE2 4.2Å; L58-L80 HydrophobicContact CD1-CB 4.15Å; L58-L81 HydrophobicContact CD1-CD2 4.02Å; L58-L81 HydrophobicContact CD1-CG 4.48Å; L58-L81 HydrophobicContact CD2-CD2 3.85Å; L58-L81 HydrophobicContact CD2-CG 4.42Å; L58-L81 HydrophobicContact CG-CD2 4.48Å; L58-L84 HydrophobicContact CD1-CD1 3.48Å; L58-L84 VanDerWaalsContact CD1-CD1 3.48Å; L58-L84 HydrophobicContact CD1-CG 4.37Å |
| 59 | A | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L20 L55 F56 G62 L63 | L20-A59 HydrophobicContact CB-CB 4.1Å; L20-A59 HydrophobicContact CD1-CB 4.38Å; L55-A59 VanDerWaalsContact O-CB 3.23Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.97Å; F56-A59 PolarHBondContact O-N 3.49Å; A59-G62 PolarHBondContact O-N 3.17Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.41Å; A59-L63 PolarHBondContact O-N 3.08Å |
| 60 | V | 97.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L20 F56 V57 G62 L63 L64 | L20-V60 HydrophobicContact CD1-CG2 4.48Å; F56-V60 HydrophobicContact CD1-CG2 4.33Å; F56-V60 HydrophobicContact CE1-CG2 3.94Å; F56-V60 HydrophobicContact CE2-CG2 4.35Å; F56-V60 HydrophobicContact CZ-CG2 3.94Å; F56-V60 WeakPolarHBondContact O-CG2 3.29Å; F56-V60 PolarHBondContact O-N 3.29Å; V57-V60 PolarHBondContact O-N 3.13Å; V60-G62 PolarHBondContact O-N 3.32Å; V60-L63 PolarHBondContact O-N 3.22Å; V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.29Å; V60-L64 WeakPolarHBondContact O-CB 3.19Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 2.78Å |
| 61 | A | 96.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 L58 L64 G65 I73 | V57-A61 WeakPolarHBondContact O-CB 3.48Å; V57-A61 PolarHBondContact O-N 3Å; L58-A61 PolarHBondContact O-N 3.3Å; A61-L64 PolarHBondContact O-N 3.15Å; A61-G65 PolarHBondContact O-N 2.74Å; A61-I73 HydrophobicContact CB-CG2 4.27Å; A61-I73 WeakPolarHBondContact O-CG2 3.16Å |
| 62 | G | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L58 A59 V60 G65 A66 Y77 | L58-G62 PolarHBondContact O-N 3.34Å; A59-G62 PolarHBondContact O-N 3.17Å; V60-G62 PolarHBondContact O-N 3.32Å; G62-G65 PolarHBondContact O-N 3.37Å; G62-A66 VanDerWaalsContact O-CB 3.25Å; G62-A66 WeakPolarHBondContact O-CB 3.48Å; G62-A66 PolarHBondContact O-N 3.46Å; G62-Y77 VanDerWaalsContact CA-CE2 3.45Å |
| 63 | L | 96.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 176.8 | -174.3 | 63 | 0 | 0 | 0 | 111.8 | I13 N16 L17 A59 V60 A66 I67 | I13-L63 HydrophobicContact CB-CD1 4.41Å; I13-L63 HydrophobicContact CG1-CD1 4.24Å; I13-L63 HydrophobicContact CG2-CD1 3.95Å; N16-L63 HydrophobicContact CB-CB 4.36Å; L17-L63 HydrophobicContact CD2-CD2 4.48Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.41Å; A59-L63 PolarHBondContact O-N 3.08Å; V60-L63 PolarHBondContact O-N 3.22Å; L63-A66 PolarHBondContact O-N 3.29Å; L63-I67 HydrophobicContact CD1-CD1 3.7Å; L63-I67 HydrophobicContact CD1-CG1 4.15Å; L63-I67 HydrophobicContact CD2-CD1 4.48Å; L63-I67 HydrophobicContact CG-CD1 3.76Å; L63-I67 HydrophobicContact CG-CG1 4.46Å; L63-I67 WeakPolarHBondContact O-CB 3.33Å; L63-I67 VanDerWaalsContact O-CG1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.3Å |
| 64 | L | 96.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 177 | -70.1 | 176.2 | 0 | 0 | 0 | 111.7 | V60 A61 K68 | V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.29Å; V60-L64 WeakPolarHBondContact O-CB 3.19Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 2.78Å; A61-L64 PolarHBondContact O-N 3.15Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.41Å |
| 65 | G | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A61 G62 H69 N70 | A61-G65 PolarHBondContact O-N 2.74Å; G62-G65 PolarHBondContact O-N 3.37Å; G65-H69 VanDerWaalsContact O-CA 3.24Å; G65-H69 WeakPolarHBondContact O-CA 3.05Å; G65-H69 PolarHBondContact O-N 3.16Å; G65-H69 VanDerWaalsContact O-N 3.1Å; G65-N70 PolarHBondContact O-N 2.98Å |
| 66 | A | 94.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.7 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | K9 L12 I13 G62 L63 Y219 | K9-A66 WeakPolarHBondContact CE-O 2.96Å; L12-A66 HydrophobicContact CB-CB 3.95Å; I13-A66 HydrophobicContact CG1-CB 3.9Å; G62-A66 VanDerWaalsContact O-CB 3.25Å; G62-A66 WeakPolarHBondContact O-CB 3.48Å; G62-A66 PolarHBondContact O-N 3.46Å; L63-A66 PolarHBondContact O-N 3.29Å; A66-Y219 PolarHBondContact O-OH 3.17Å |
| 67 | I | 93.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 45% | 0.451 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.5 | -50.2 | -177.4 | -69.4 | 173.5 | 0 | 0 | 0 | 111 | K9 I13 L63 | K9-I67 PolarHBondContact NZ-O 3.16Å; I13-I67 HydrophobicContact CD1-CG1 4.16Å; I13-I67 HydrophobicContact CG1-CG1 4.37Å; L63-I67 HydrophobicContact CD1-CD1 3.7Å; L63-I67 HydrophobicContact CD1-CG1 4.15Å; L63-I67 HydrophobicContact CD2-CD1 4.48Å; L63-I67 HydrophobicContact CG-CD1 3.76Å; L63-I67 HydrophobicContact CG-CG1 4.46Å; L63-I67 WeakPolarHBondContact O-CB 3.33Å; L63-I67 VanDerWaalsContact O-CG1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.3Å |
| 68 | K | 91.7 | Very high | 94.8 | Very high | 153 Ų | 153 | 45.4 Ų | 45.4 | 67% | 0.665 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -88.2 | -4.6 | -174 | -63.9 | -171.1 | 173.8 | -174.3 | 0 | 114.2 | L64 N70 | L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.41Å; K68-N70 HydrophobicContact CB-CB 4.3Å; K68-N70 PolarHBondContact O-N 3.35Å; K68-N70 VanDerWaalsContact O-N 3.15Å |
| 69 | H | 91.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 14% | 0.139 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.8 | -169.4 | -155.1 | -84 | 0 | 0 | 0 | 112.3 | F5 G65 Q71 Y219 Q222 | F5-H69 AromaticContact CE2-CD2 3.42Å; F5-H69 VanDerWaalsContact CE2-CD2 3.42Å; F5-H69 WeakPolarHBondContact CE2-CD2 3.32Å; F5-H69 AromaticContact CE2-NE2 3.47Å; F5-H69 WeakPolarHBondContact CE2-NE2 3.3Å; F5-H69 AromaticContact CZ-CD2 3.66Å; G65-H69 VanDerWaalsContact O-CA 3.24Å; G65-H69 WeakPolarHBondContact O-CA 3.05Å; G65-H69 PolarHBondContact O-N 3.16Å; G65-H69 VanDerWaalsContact O-N 3.1Å; H69-Q71 PolarHBondContact CE1-NE2 3.14Å; H69-Q71 PolarHBondContact ND1-NE2 3.29Å; H69-Q71 PolarHBondContact O-N 3.09Å; H69-Q71 VanDerWaalsContact O-N 3.15Å; H69-Y219 AromaticContact CD2-CE1 3.58Å; H69-Y219 AromaticContact CD2-CE2 3.76Å; H69-Y219 AromaticContact CD2-CZ 3.31Å; H69-Y219 PolarHBondContact CD2-OH 3.06Å; H69-Y219 PolarHBondContact NE2-O 3.28Å; H69-Q222 PolarHBondContact CE1-O 3.15Å; H69-Q222 PolarHBondContact NE2-O 3.15Å |
| 70 | N | 91.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | trans | -77 | 107.7 | -176.3 | -176.1 | -43 | 0 | 0 | 0 | 109.9 | G65 K68 P72 I73 L74 | G65-N70 PolarHBondContact O-N 2.98Å; K68-N70 HydrophobicContact CB-CB 4.3Å; K68-N70 PolarHBondContact O-N 3.35Å; K68-N70 VanDerWaalsContact O-N 3.15Å; N70-P72 WeakPolarHBondContact OD1-CD 3.34Å; N70-I73 HydrophobicContact CB-CB 4.2Å; N70-I73 HydrophobicContact CB-CD1 4.02Å; N70-I73 HydrophobicContact CB-CG1 4.23Å; N70-I73 PolarHBondContact O-N 3.35Å; N70-I73 PolarHBondContact OD1-N 2.98Å; N70-L74 WeakPolarHBondContact O-CB 3.45Å; N70-L74 PolarHBondContact O-N 3.47Å | ||
| 71 | Q | 91.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.1 | -50.5 | -173.5 | -70.9 | -69.3 | -36.6 | 0 | 0 | 113.9 | H69 L74 F75 R220 | H69-Q71 PolarHBondContact CE1-NE2 3.14Å; H69-Q71 PolarHBondContact ND1-NE2 3.29Å; H69-Q71 PolarHBondContact O-N 3.09Å; H69-Q71 VanDerWaalsContact O-N 3.15Å; Q71-L74 PolarHBondContact O-N 3.49Å; Q71-F75 WeakPolarHBondContact O-CB 3.25Å; Q71-F75 PolarHBondContact O-N 3.04Å; Q71-R220 PolarHBondContact NE2-O 3.43Å; Q71-R220 VanDerWaalsContact NE2-O 3.1Å |
| 72 | P | 94.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 51% | 0.506 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.5 | -49.6 | 172.9 | -27.8 | 29.7 | 0 | 0 | 0 | 114.2 | N70 L74 F75 F76 | N70-P72 WeakPolarHBondContact OD1-CD 3.34Å; P72-L74 VanDerWaalsContact C-N 3.33Å; P72-L74 PolarHBondContact O-N 3.14Å; P72-F75 WeakPolarHBondContact O-CB 3.18Å; P72-F75 PolarHBondContact O-N 3.5Å; P72-F75 VanDerWaalsContact O-N 3.17Å; P72-F76 WeakPolarHBondContact O-CD2 3.17Å; P72-F76 PolarHBondContact O-N 3.15Å |
| 73 | I | 94.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | -177.3 | -63.9 | 177.6 | 0 | 0 | 0 | 110.3 | A61 N70 F75 F76 Y77 | A61-I73 HydrophobicContact CB-CG2 4.27Å; A61-I73 WeakPolarHBondContact O-CG2 3.16Å; N70-I73 HydrophobicContact CB-CB 4.2Å; N70-I73 HydrophobicContact CB-CD1 4.02Å; N70-I73 HydrophobicContact CB-CG1 4.23Å; N70-I73 PolarHBondContact O-N 3.35Å; N70-I73 PolarHBondContact OD1-N 2.98Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.44Å; I73-F76 PolarHBondContact O-N 3.05Å; I73-Y77 WeakPolarHBondContact O-CB 3.34Å; I73-Y77 PolarHBondContact O-N 2.83Å |
| 74 | L | 94.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.8 | -172.7 | 63.9 | 0 | 0 | 0 | 111.8 | N70 Q71 P72 Y77 I78 A216 Y219 R220 | N70-L74 WeakPolarHBondContact O-CB 3.45Å; N70-L74 PolarHBondContact O-N 3.47Å; Q71-L74 PolarHBondContact O-N 3.49Å; P72-L74 VanDerWaalsContact C-N 3.33Å; P72-L74 PolarHBondContact O-N 3.14Å; L74-Y77 HydrophobicContact CD1-CD1 4.11Å; L74-Y77 PolarHBondContact O-N 3.39Å; L74-I78 HydrophobicContact CG-CD1 4.15Å; L74-I78 WeakPolarHBondContact O-CD1 3.24Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 2.93Å; L74-A216 HydrophobicContact CD1-CB 4.25Å; L74-Y219 HydrophobicContact CD1-CD1 4.38Å; L74-Y219 HydrophobicContact CD2-CD1 3.71Å; L74-Y219 HydrophobicContact CD2-CE1 4.33Å; L74-R220 HydrophobicContact CD2-CB 3.55Å; L74-R220 HydrophobicContact CD2-CG 4.01Å; L74-R220 HydrophobicContact CG-CB 4.34Å |
| 75 | F | 94.6 | Very high | 94.6 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 174.9 | 179.2 | -118.9 | 0 | 0 | 0 | 112.3 | Q71 P72 I73 Y77 I78 I79 | Q71-F75 WeakPolarHBondContact O-CB 3.25Å; Q71-F75 PolarHBondContact O-N 3.04Å; P72-F75 WeakPolarHBondContact O-CB 3.18Å; P72-F75 PolarHBondContact O-N 3.5Å; P72-F75 VanDerWaalsContact O-N 3.17Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.44Å; F75-Y77 VanDerWaalsContact C-N 3.33Å; F75-Y77 PolarHBondContact O-N 2.72Å; F75-I78 PolarHBondContact O-N 2.9Å; F75-I79 HydrophobicContact CD1-CD1 3.97Å; F75-I79 HydrophobicContact CD2-CD1 4.33Å; F75-I79 HydrophobicContact CE1-CD1 3.55Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å; F75-I79 HydrophobicContact CE2-CG1 4.4Å; F75-I79 HydrophobicContact CG-CD1 4.37Å; F75-I79 HydrophobicContact CZ-CD1 3.59Å; F75-I79 HydrophobicContact CZ-CG1 4.45Å; F75-I79 WeakPolarHBondContact O-CG1 3.38Å; F75-I79 PolarHBondContact O-N 3.39Å; F75-I79 VanDerWaalsContact O-N 3.1Å |
| 76 | F | 95 | Very high | 94.7 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 175.1 | -74.9 | -66.9 | 0 | 0 | 0 | 111.9 | P72 I73 I78 I79 L80 | P72-F76 WeakPolarHBondContact O-CD2 3.17Å; P72-F76 PolarHBondContact O-N 3.15Å; I73-F76 PolarHBondContact O-N 3.05Å; F76-I78 VanDerWaalsContact C-N 3.34Å; F76-I78 PolarHBondContact O-N 3.31Å; F76-I79 PolarHBondContact O-N 3.01Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.5Å |
| 77 | Y | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.7 | 171.9 | -105.8 | 0 | 0 | 0 | 112.5 | L12 N16 L58 G62 I73 L74 F75 I79 L80 L81 A216 | L12-Y77 HydrophobicContact CD2-CE1 4.25Å; N16-Y77 PolarHBondContact ND2-OH 3.02Å; N16-Y77 WeakPolarHBondContact OD1-CE2 3.35Å; N16-Y77 PolarHBondContact OD1-OH 3.24Å; L58-Y77 HydrophobicContact CD2-CD2 4.17Å; L58-Y77 HydrophobicContact CD2-CE2 3.6Å; L58-Y77 HydrophobicContact CG-CD2 4.27Å; L58-Y77 HydrophobicContact CG-CE2 4.2Å; G62-Y77 VanDerWaalsContact CA-CE2 3.45Å; I73-Y77 WeakPolarHBondContact O-CB 3.34Å; I73-Y77 PolarHBondContact O-N 2.83Å; L74-Y77 HydrophobicContact CD1-CD1 4.11Å; L74-Y77 PolarHBondContact O-N 3.39Å; F75-Y77 VanDerWaalsContact C-N 3.33Å; F75-Y77 PolarHBondContact O-N 2.72Å; Y77-I79 PolarHBondContact O-N 3.45Å; Y77-L80 PolarHBondContact O-N 3.44Å; Y77-L81 HydrophobicContact CD1-CD1 4.13Å; Y77-L81 HydrophobicContact CD2-CG 4.39Å; Y77-L81 HydrophobicContact CE1-CD1 3.4Å; Y77-L81 HydrophobicContact CE1-CG 4.25Å; Y77-L81 HydrophobicContact CE2-CD1 3.84Å; Y77-L81 HydrophobicContact CE2-CD2 4.45Å; Y77-L81 HydrophobicContact CE2-CG 3.93Å; Y77-L81 PolarHBondContact O-N 3.5Å; Y77-L81 WeakPolarHBondContact OH-CD1 3.49Å; Y77-A216 HydrophobicContact CD1-CB 4.27Å; Y77-A216 HydrophobicContact CE1-CB 4.09Å |
| 78 | I | 96 | Very high | 94.9 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 177 | -71.5 | 161.4 | 0 | 0 | 0 | 111.3 | L74 F75 F76 F82 V213 A216 L217 R220 | L74-I78 HydrophobicContact CG-CD1 4.15Å; L74-I78 WeakPolarHBondContact O-CD1 3.24Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 2.93Å; F75-I78 PolarHBondContact O-N 2.9Å; F76-I78 VanDerWaalsContact C-N 3.34Å; F76-I78 PolarHBondContact O-N 3.31Å; I78-F82 VanDerWaalsContact O-CB 3.28Å; I78-F82 WeakPolarHBondContact O-CB 3.39Å; I78-F82 PolarHBondContact O-N 2.8Å; I78-V213 HydrophobicContact CG2-CG1 4.37Å; I78-A216 HydrophobicContact CD1-CB 3.97Å; I78-A216 HydrophobicContact CG1-CB 3.52Å; I78-L217 HydrophobicContact CD1-CD2 4.07Å; I78-L217 HydrophobicContact CD1-CG 4.24Å; I78-L217 HydrophobicContact CG2-CD2 3.87Å; I78-L217 HydrophobicContact CG2-CG 3.98Å; I78-R220 HydrophobicContact CD1-CB 4.44Å |
| 79 | I | 96.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.7 | -68.4 | 167.2 | 0 | 0 | 0 | 110.6 | F75 F76 Y77 F82 G83 | F75-I79 HydrophobicContact CD1-CD1 3.97Å; F75-I79 HydrophobicContact CD2-CD1 4.33Å; F75-I79 HydrophobicContact CE1-CD1 3.55Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å; F75-I79 HydrophobicContact CE2-CG1 4.4Å; F75-I79 HydrophobicContact CG-CD1 4.37Å; F75-I79 HydrophobicContact CZ-CD1 3.59Å; F75-I79 HydrophobicContact CZ-CG1 4.45Å; F75-I79 WeakPolarHBondContact O-CG1 3.38Å; F75-I79 PolarHBondContact O-N 3.39Å; F75-I79 VanDerWaalsContact O-N 3.1Å; F76-I79 PolarHBondContact O-N 3.01Å; Y77-I79 PolarHBondContact O-N 3.45Å; I79-F82 PolarHBondContact O-N 3.07Å; I79-G83 PolarHBondContact O-N 3.31Å |
| 80 | L | 96.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | -179.4 | -69.2 | 174.8 | 0 | 0 | 0 | 112.1 | F54 L58 F76 Y77 F82 G83 L84 | F54-L80 HydrophobicContact CE2-CD2 4.37Å; F54-L80 HydrophobicContact CZ-CD2 4.2Å; L58-L80 HydrophobicContact CD1-CB 4.15Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.5Å; Y77-L80 PolarHBondContact O-N 3.44Å; L80-F82 VanDerWaalsContact C-N 3.35Å; L80-G83 PolarHBondContact O-N 2.95Å; L80-L84 PolarHBondContact O-N 3.37Å |
| 81 | L | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 174.3 | -81.4 | -174.7 | 0 | 0 | 0 | 112.2 | Y19 L58 Y77 G83 L84 F85 E209 V213 | Y19-L81 HydrophobicContact CE2-CD2 4Å; L58-L81 HydrophobicContact CD1-CD2 4.02Å; L58-L81 HydrophobicContact CD1-CG 4.48Å; L58-L81 HydrophobicContact CD2-CD2 3.85Å; L58-L81 HydrophobicContact CD2-CG 4.42Å; L58-L81 HydrophobicContact CG-CD2 4.48Å; Y77-L81 HydrophobicContact CD1-CD1 4.13Å; Y77-L81 HydrophobicContact CD2-CG 4.39Å; Y77-L81 HydrophobicContact CE1-CD1 3.4Å; Y77-L81 HydrophobicContact CE1-CG 4.25Å; Y77-L81 HydrophobicContact CE2-CD1 3.84Å; Y77-L81 HydrophobicContact CE2-CD2 4.45Å; Y77-L81 HydrophobicContact CE2-CG 3.93Å; Y77-L81 PolarHBondContact O-N 3.5Å; Y77-L81 WeakPolarHBondContact OH-CD1 3.49Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.93Å; L81-L84 PolarHBondContact O-N 2.73Å; L81-F85 WeakPolarHBondContact O-CB 3.36Å; L81-F85 PolarHBondContact O-N 2.98Å; L81-E209 HydrophobicContact CD2-CG 4.28Å; L81-E209 WeakPolarHBondContact CD2-OE1 3.37Å; L81-V213 HydrophobicContact CB-CG2 3.62Å; L81-V213 HydrophobicContact CD1-CG2 4.34Å |
| 82 | F | 96.5 | Very high | 95.9 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 177.9 | -174.4 | -109.2 | 0 | 0 | 0 | 111.7 | I78 I79 L80 F85 L86 V213 | I78-F82 VanDerWaalsContact O-CB 3.28Å; I78-F82 WeakPolarHBondContact O-CB 3.39Å; I78-F82 PolarHBondContact O-N 2.8Å; I79-F82 PolarHBondContact O-N 3.07Å; L80-F82 VanDerWaalsContact C-N 3.35Å; F82-F85 AromaticContact CD2-CD1 3.98Å; F82-F85 HydrophobicContact CD2-CD1 3.98Å; F82-F85 AromaticContact CE2-CD1 3.86Å; F82-F85 HydrophobicContact CE2-CD1 3.86Å; F82-F85 HydrophobicContact CE2-CE1 4.11Å; F82-F85 WeakPolarHBondContact O-CB 3.42Å; F82-F85 PolarHBondContact O-N 3.02Å; F82-L86 HydrophobicContact CD1-CD1 4.17Å; F82-L86 HydrophobicContact CE1-CD1 3.74Å; F82-L86 HydrophobicContact CE1-CD2 4.44Å; F82-L86 HydrophobicContact CE1-CG 4.15Å; F82-L86 HydrophobicContact CZ-CD1 4.24Å; F82-L86 HydrophobicContact CZ-CD2 4.11Å; F82-L86 HydrophobicContact CZ-CG 4.24Å; F82-L86 WeakPolarHBondContact O-CG 3.14Å; F82-L86 PolarHBondContact O-N 3.18Å; F82-V213 HydrophobicContact CB-CG2 4.43Å; F82-V213 HydrophobicContact CD2-CG1 4.42Å |
| 83 | G | 96.3 | Very high | 96 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I79 L80 L81 L86 V87 | I79-G83 PolarHBondContact O-N 3.31Å; L80-G83 PolarHBondContact O-N 2.95Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.93Å; G83-L86 PolarHBondContact O-N 3.19Å; G83-V87 WeakPolarHBondContact O-CG2 3.45Å; G83-V87 PolarHBondContact O-N 2.99Å; G83-V87 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 95.6 | Very high | 96 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 173.9 | -82.5 | -171.4 | 0 | 0 | 0 | 111.9 | F54 L55 L58 L80 L81 L86 V87 Q88 E209 | F54-L84 HydrophobicContact CD1-CD2 4.4Å; F54-L84 HydrophobicContact CE1-CD1 3.9Å; F54-L84 HydrophobicContact CE1-CD2 3.69Å; F54-L84 HydrophobicContact CE1-CG 3.85Å; L55-L84 HydrophobicContact CD2-CD1 4.25Å; L58-L84 HydrophobicContact CD1-CD1 3.48Å; L58-L84 VanDerWaalsContact CD1-CD1 3.48Å; L58-L84 HydrophobicContact CD1-CG 4.37Å; L80-L84 PolarHBondContact O-N 3.37Å; L81-L84 PolarHBondContact O-N 2.73Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.95Å; L84-V87 PolarHBondContact O-N 3.38Å; L84-Q88 WeakPolarHBondContact O-CB 3.32Å; L84-Q88 WeakPolarHBondContact O-CG 3.33Å; L84-Q88 PolarHBondContact O-N 3.37Å; L84-E209 WeakPolarHBondContact CB-OE1 3.21Å |
| 85 | F | 96.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.7 | -48.1 | 174.8 | 160 | -102.5 | 0 | 0 | 0 | 111.7 | L81 F82 V87 Q88 F89 S206 E209 L210 | L81-F85 WeakPolarHBondContact O-CB 3.36Å; L81-F85 PolarHBondContact O-N 2.98Å; F82-F85 AromaticContact CD2-CD1 3.98Å; F82-F85 HydrophobicContact CD2-CD1 3.98Å; F82-F85 AromaticContact CE2-CD1 3.86Å; F82-F85 HydrophobicContact CE2-CD1 3.86Å; F82-F85 HydrophobicContact CE2-CE1 4.11Å; F82-F85 WeakPolarHBondContact O-CB 3.42Å; F82-F85 PolarHBondContact O-N 3.02Å; F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 2.67Å; F85-Q88 PolarHBondContact O-N 3.39Å; F85-F89 HydrophobicContact CE2-CB 4.19Å; F85-F89 HydrophobicContact CE2-CG 4.48Å; F85-F89 HydrophobicContact CZ-CB 4.42Å; F85-F89 HydrophobicContact CZ-CG 4.48Å; F85-F89 WeakPolarHBondContact O-CB 3.22Å; F85-F89 PolarHBondContact O-N 2.87Å; F85-S206 WeakPolarHBondContact CD2-O 3.37Å; F85-E209 WeakPolarHBondContact CA-OE2 3.32Å; F85-E209 HydrophobicContact CB-CG 4.04Å; F85-E209 PolarHBondContact N-OE2 2.98Å; F85-L210 HydrophobicContact CD2-CB 4.24Å; F85-L210 HydrophobicContact CE2-CB 4.18Å; F85-L210 HydrophobicContact CE2-CD2 4.49Å; F85-L210 HydrophobicContact CZ-CD1 4.42Å |
| 86 | L | 97.1 | Very high | 96.1 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 180 | -69.3 | 178.3 | 0 | 0 | 0 | 112 | F82 G83 L84 S90 | F82-L86 HydrophobicContact CD1-CD1 4.17Å; F82-L86 HydrophobicContact CE1-CD1 3.74Å; F82-L86 HydrophobicContact CE1-CD2 4.44Å; F82-L86 HydrophobicContact CE1-CG 4.15Å; F82-L86 HydrophobicContact CZ-CD1 4.24Å; F82-L86 HydrophobicContact CZ-CD2 4.11Å; F82-L86 HydrophobicContact CZ-CG 4.24Å; F82-L86 WeakPolarHBondContact O-CG 3.14Å; F82-L86 PolarHBondContact O-N 3.18Å; G83-L86 PolarHBondContact O-N 3.19Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.95Å; L86-S90 WeakPolarHBondContact O-CB 3.41Å; L86-S90 PolarHBondContact O-N 3.49Å |
| 87 | V | 96.2 | Very high | 96.1 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.2 | -48 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | G83 L84 F85 S90 V91 | G83-V87 WeakPolarHBondContact O-CG2 3.45Å; G83-V87 PolarHBondContact O-N 2.99Å; G83-V87 VanDerWaalsContact O-N 3.13Å; L84-V87 PolarHBondContact O-N 3.38Å; F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 2.67Å; V87-S90 PolarHBondContact O-N 2.88Å; V87-V91 HydrophobicContact CG1-CG2 4.46Å; V87-V91 VanDerWaalsContact O-CG2 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.31Å; V87-V91 PolarHBondContact O-N 3.04Å |
| 88 | Q | 95.7 | Very high | 96 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | -179.6 | -72.6 | -174.5 | 5.3 | 0 | 0 | 112.3 | L84 F85 V91 A92 E209 | L84-Q88 WeakPolarHBondContact O-CB 3.32Å; L84-Q88 WeakPolarHBondContact O-CG 3.33Å; L84-Q88 PolarHBondContact O-N 3.37Å; F85-Q88 PolarHBondContact O-N 3.39Å; Q88-V91 PolarHBondContact O-N 3.1Å; Q88-A92 VanDerWaalsContact O-CB 3.25Å; Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 3.49Å; Q88-E209 PolarHBondContact OE1-OE2 3.46Å; Q88-E209 VanDerWaalsContact OE1-OE2 3.09Å |
| 89 | F | 97.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 59 Ų | 59 | 39% | 0.386 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 177.9 | -178.5 | -105.2 | 0 | 0 | 0 | 111.6 | F85 A92 C93 L203 | F85-F89 HydrophobicContact CE2-CB 4.19Å; F85-F89 HydrophobicContact CE2-CG 4.48Å; F85-F89 HydrophobicContact CZ-CB 4.42Å; F85-F89 HydrophobicContact CZ-CG 4.48Å; F85-F89 WeakPolarHBondContact O-CB 3.22Å; F85-F89 PolarHBondContact O-N 2.87Å; F89-A92 PolarHBondContact O-N 3.36Å; F89-C93 WeakPolarHBondContact O-CB 3.37Å; F89-C93 PolarHBondContact O-N 3.04Å; F89-C93 PolarHBondContact O-SG 3.21Å; F89-L203 HydrophobicContact CD2-CD1 3.87Å; F89-L203 HydrophobicContact CE2-CD1 3.78Å |
| 90 | S | 97.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L86 V87 A92 C93 A94 | L86-S90 WeakPolarHBondContact O-CB 3.41Å; L86-S90 PolarHBondContact O-N 3.49Å; V87-S90 PolarHBondContact O-N 2.88Å; S90-A92 VanDerWaalsContact C-N 3.34Å; S90-A92 PolarHBondContact O-N 3.48Å; S90-C93 PolarHBondContact O-N 3.36Å; S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 2.95Å |
| 91 | V | 95.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | V87 Q88 A94 C95 | V87-V91 HydrophobicContact CG1-CG2 4.46Å; V87-V91 VanDerWaalsContact O-CG2 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.31Å; V87-V91 PolarHBondContact O-N 3.04Å; Q88-V91 PolarHBondContact O-N 3.1Å; V91-A94 PolarHBondContact O-N 3.41Å; V91-C95 WeakPolarHBondContact O-CB 2.85Å; V91-C95 PolarHBondContact O-N 2.91Å; V91-C95 PolarHBondContact O-SG 3.3Å |
| 92 | A | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q88 F89 S90 A94 C95 L96 L203 | Q88-A92 VanDerWaalsContact O-CB 3.25Å; Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 3.49Å; F89-A92 PolarHBondContact O-N 3.36Å; S90-A92 VanDerWaalsContact C-N 3.34Å; S90-A92 PolarHBondContact O-N 3.48Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.36Å; A92-C95 PolarHBondContact O-N 2.87Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.28Å; A92-L96 PolarHBondContact O-N 3.31Å; A92-L203 HydrophobicContact CB-CB 4.12Å |
| 93 | C | 96.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.8 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | F89 S90 L96 S97 | F89-C93 WeakPolarHBondContact O-CB 3.37Å; F89-C93 PolarHBondContact O-N 3.04Å; F89-C93 PolarHBondContact O-SG 3.21Å; S90-C93 PolarHBondContact O-N 3.36Å; C93-L96 PolarHBondContact O-N 2.97Å; C93-S97 WeakPolarHBondContact O-CB 3.38Å; C93-S97 PolarHBondContact O-N 3.48Å |
| 94 | A | 95.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S90 V91 A92 L96 S97 L98 | S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 2.95Å; V91-A94 PolarHBondContact O-N 3.41Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.36Å; A94-L96 PolarHBondContact O-N 3.34Å; A94-S97 PolarHBondContact O-N 2.87Å; A94-L98 WeakPolarHBondContact O-CB 3.3Å; A94-L98 PolarHBondContact O-N 3.28Å; A94-L98 VanDerWaalsContact O-N 3.14Å |
| 95 | C | 96 | Very high | 94.7 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 177.5 | -72 | 0 | 0 | 0 | 0 | 113 | V91 A92 V195 | V91-C95 WeakPolarHBondContact O-CB 2.85Å; V91-C95 PolarHBondContact O-N 2.91Å; V91-C95 PolarHBondContact O-SG 3.3Å; A92-C95 PolarHBondContact O-N 2.87Å; C95-V195 HydrophobicContact CB-CB 4.46Å; C95-V195 WeakPolarHBondContact CB-O 3.29Å |
| 96 | L | 94.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -76.9 | -28.2 | 178.6 | -70.1 | 170.8 | 0 | 0 | 0 | 113.1 | A92 C93 A94 L203 | A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.28Å; A92-L96 PolarHBondContact O-N 3.31Å; C93-L96 PolarHBondContact O-N 2.97Å; A94-L96 PolarHBondContact O-N 3.34Å; L96-L203 HydrophobicContact CD1-CD2 4.2Å |
| 97 | S | 94.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 70.4 Ų | 70.4 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -85.9 | -15.3 | 179.6 | -170 | 0 | 0 | 0 | 0 | 113.5 | C93 A94 S99 | C93-S97 WeakPolarHBondContact O-CB 3.38Å; C93-S97 PolarHBondContact O-N 3.48Å; A94-S97 PolarHBondContact O-N 2.87Å; S97-S99 PolarHBondContact O-N 2.9Å; S97-S99 VanDerWaalsContact O-N 3.09Å |
| 98 | L | 93.3 | Very high | 94.2 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | trans | -67.5 | 108.2 | -171.6 | -166.8 | 69.8 | 0 | 0 | 0 | 112.7 | A94 Q103 V195 | A94-L98 WeakPolarHBondContact O-CB 3.3Å; A94-L98 PolarHBondContact O-N 3.28Å; A94-L98 VanDerWaalsContact O-N 3.14Å; L98-Q103 HydrophobicContact CD2-CG 3.56Å; L98-Q103 HydrophobicContact CG-CG 3.78Å; L98-Q103 PolarHBondContact O-NE2 2.82Å; L98-Q103 VanDerWaalsContact O-NE2 3.16Å; L98-V195 HydrophobicContact CD2-CG1 4.26Å | ||
| 99 | S | 92 | Very high | 94.1 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | trans | -73.9 | 159.7 | 177.6 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | S97 D101 Y102 Q103 | S97-S99 PolarHBondContact O-N 2.9Å; S97-S99 VanDerWaalsContact O-N 3.09Å; S99-D101 VanDerWaalsContact C-N 3.27Å; S99-D101 PolarHBondContact O-N 2.89Å; S99-Y102 PolarHBondContact O-N 3.48Å; S99-Y102 WeakPolarHBondContact OG-CD2 3.31Å; S99-Y102 PolarHBondContact OG-N 3.47Å; S99-Q103 WeakPolarHBondContact O-CG 3.45Å; S99-Q103 PolarHBondContact O-N 3.26Å | ||
| 100 | S | 89.8 | Confident | 93.8 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 178.4 | -54.1 | 0 | 0 | 0 | 0 | 113 | Q103 Q104 | S100-Q103 WeakPolarHBondContact O-CB 3.47Å; S100-Q103 PolarHBondContact O-N 3.25Å; S100-Q104 PolarHBondContact O-N 2.83Å |
| 101 | D | 91.2 | Very high | 93.6 | Very high | 120 Ų | 120 | 63.2 Ų | 63.2 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 179.3 | -59 | -34.8 | 0 | 0 | 0 | 111.5 | S99 Q103 Q104 I105 | S99-D101 VanDerWaalsContact C-N 3.27Å; S99-D101 PolarHBondContact O-N 2.89Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.25Å; D101-Q104 PolarHBondContact O-N 3.41Å; D101-I105 WeakPolarHBondContact O-CG1 3.44Å; D101-I105 PolarHBondContact O-N 3.42Å; D101-I105 VanDerWaalsContact O-N 3.15Å |
| 102 | Y | 92.3 | Very high | 93.4 | Very high | 158 Ų | 158 | 64.5 Ų | 64.5 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 174.6 | -78.2 | -63.6 | 0 | 0 | 0 | 111.9 | S99 Q104 I105 L106 | S99-Y102 PolarHBondContact O-N 3.48Å; S99-Y102 WeakPolarHBondContact OG-CD2 3.31Å; S99-Y102 PolarHBondContact OG-N 3.47Å; Y102-Q104 VanDerWaalsContact C-N 3.29Å; Y102-Q104 PolarHBondContact O-N 3.01Å; Y102-I105 PolarHBondContact O-N 3.33Å; Y102-L106 WeakPolarHBondContact O-CB 3.18Å; Y102-L106 PolarHBondContact O-N 3.39Å |
| 103 | Q | 93.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.028 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.8 | -71.2 | 174.2 | 31 | 0 | 0 | 111.2 | L98 S99 S100 D101 L106 V107 W184 L191 | L98-Q103 HydrophobicContact CD2-CG 3.56Å; L98-Q103 HydrophobicContact CG-CG 3.78Å; L98-Q103 PolarHBondContact O-NE2 2.82Å; L98-Q103 VanDerWaalsContact O-NE2 3.16Å; S99-Q103 WeakPolarHBondContact O-CG 3.45Å; S99-Q103 PolarHBondContact O-N 3.26Å; S100-Q103 WeakPolarHBondContact O-CB 3.47Å; S100-Q103 PolarHBondContact O-N 3.25Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.25Å; Q103-L106 PolarHBondContact O-N 3.2Å; Q103-V107 VanDerWaalsContact O-CG2 3.31Å; Q103-V107 WeakPolarHBondContact O-CG2 3.17Å; Q103-V107 PolarHBondContact O-N 2.66Å; Q103-W184 HydrophobicContact CB-CH2 4.24Å; Q103-L191 HydrophobicContact CB-CD2 3.84Å; Q103-L191 HydrophobicContact CG-CD2 3.95Å; Q103-L191 HydrophobicContact CG-CG 4.34Å |
| 104 | Q | 93 | Very high | 92.8 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 179.2 | -169.2 | 173.8 | -31.1 | 0 | 0 | 112 | S100 D101 Y102 L106 V107 E108 W184 | S100-Q104 PolarHBondContact O-N 2.83Å; D101-Q104 PolarHBondContact O-N 3.41Å; Y102-Q104 VanDerWaalsContact C-N 3.29Å; Y102-Q104 PolarHBondContact O-N 3.01Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.32Å; Q104-V107 PolarHBondContact O-N 3.05Å; Q104-E108 WeakPolarHBondContact O-CB 3.4Å; Q104-E108 PolarHBondContact O-N 2.88Å; Q104-W184 HydrophobicContact CB-CH2 3.54Å; Q104-W184 HydrophobicContact CB-CZ2 3.38Å; Q104-W184 HydrophobicContact CB-CZ3 4.26Å; Q104-W184 HydrophobicContact CG-CD2 4.21Å; Q104-W184 HydrophobicContact CG-CE3 4.47Å; Q104-W184 HydrophobicContact CG-CH2 4Å; Q104-W184 HydrophobicContact CG-CZ2 3.61Å; Q104-W184 HydrophobicContact CG-CZ3 4.38Å; Q104-W184 VanDerWaalsContact N-CH2 3.34Å |
| 105 | I | 93.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 72 Ų | 72 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 180 | -65.1 | 166.1 | 0 | 0 | 0 | 110.8 | D101 Y102 T109 | D101-I105 WeakPolarHBondContact O-CG1 3.44Å; D101-I105 PolarHBondContact O-N 3.42Å; D101-I105 VanDerWaalsContact O-N 3.15Å; Y102-I105 PolarHBondContact O-N 3.33Å; I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 PolarHBondContact O-N 3.42Å; I105-T109 PolarHBondContact O-OG1 3.26Å |
| 106 | L | 93.2 | Very high | 92.2 | Very high | 113 Ų | 113 | 74.5 Ų | 74.5 | 59% | 0.592 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.7 | -49.6 | 179.7 | -176.7 | 64.3 | 0 | 0 | 0 | 111.9 | Y102 Q103 Q104 T109 A110 | Y102-L106 WeakPolarHBondContact O-CB 3.18Å; Y102-L106 PolarHBondContact O-N 3.39Å; Q103-L106 PolarHBondContact O-N 3.2Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.32Å; L106-T109 PolarHBondContact O-N 3.36Å; L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3Å |
| 107 | V | 93.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | -179.7 | 179 | 0 | 0 | 0 | 0 | 110.9 | Q103 Q104 T109 A110 W111 F131 W184 I187 L191 | Q103-V107 VanDerWaalsContact O-CG2 3.31Å; Q103-V107 WeakPolarHBondContact O-CG2 3.17Å; Q103-V107 PolarHBondContact O-N 2.66Å; Q104-V107 PolarHBondContact O-N 3.05Å; V107-T109 VanDerWaalsContact C-N 3.33Å; V107-T109 PolarHBondContact O-N 3.41Å; V107-A110 PolarHBondContact O-N 3.25Å; V107-W111 WeakPolarHBondContact O-CB 3.46Å; V107-W111 PolarHBondContact O-N 2.88Å; V107-F131 HydrophobicContact CG1-CE2 3.85Å; V107-W184 HydrophobicContact CB-CE3 4.34Å; V107-W184 HydrophobicContact CB-CZ3 3.84Å; V107-W184 HydrophobicContact CG1-CE3 4.28Å; V107-W184 HydrophobicContact CG1-CZ3 4.21Å; V107-W184 HydrophobicContact CG2-CZ3 4.01Å; V107-I187 HydrophobicContact CG1-CD1 4.29Å; V107-I187 HydrophobicContact CG1-CG2 3.97Å; V107-I187 HydrophobicContact CG2-CG2 4.12Å; V107-L191 HydrophobicContact CG2-CD2 3.66Å |
| 108 | E | 93.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.8 | -170.4 | -174.9 | 143.1 | 0 | 0 | 110.9 | Q104 W111 K112 F131 L142 | Q104-E108 WeakPolarHBondContact O-CB 3.4Å; Q104-E108 PolarHBondContact O-N 2.88Å; E108-W111 PolarHBondContact O-N 3.21Å; E108-K112 WeakPolarHBondContact O-CG 3.26Å; E108-K112 PolarHBondContact O-N 3.44Å; E108-K112 WeakPolarHBondContact OE1-CE 3.35Å; E108-K112 IonicContact OE1-NZ 2.67Å; E108-K112 PolarHBondContact OE1-NZ 2.98Å; E108-F131 HydrophobicContact CB-CE1 3.92Å; E108-F131 HydrophobicContact CB-CZ 3.75Å; E108-F131 HydrophobicContact CG-CD1 4.47Å; E108-F131 HydrophobicContact CG-CE1 3.78Å; E108-F131 HydrophobicContact CG-CZ 4.14Å; E108-L142 HydrophobicContact CG-CD1 4.16Å; E108-L142 HydrophobicContact CG-CD2 3.58Å; E108-L142 HydrophobicContact CG-CG 4.44Å |
| 109 | T | 92.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 70.4 Ų | 70.4 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111 | I105 L106 V107 W111 K112 Q113 | I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 PolarHBondContact O-N 3.42Å; I105-T109 PolarHBondContact O-OG1 3.26Å; L106-T109 PolarHBondContact O-N 3.36Å; V107-T109 VanDerWaalsContact C-N 3.33Å; V107-T109 PolarHBondContact O-N 3.41Å; T109-W111 VanDerWaalsContact C-N 3.33Å; T109-W111 PolarHBondContact O-N 3.47Å; T109-K112 PolarHBondContact O-N 3.28Å; T109-Q113 WeakPolarHBondContact O-CG 3.48Å; T109-Q113 PolarHBondContact O-N 3.13Å |
| 110 | A | 92.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L106 V107 Q113 S114 | L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3Å; V107-A110 PolarHBondContact O-N 3.25Å; A110-Q113 PolarHBondContact O-N 3.3Å; A110-S114 WeakPolarHBondContact O-CB 3.43Å; A110-S114 PolarHBondContact O-N 2.97Å; A110-S114 PolarHBondContact O-OG 3.31Å |
| 111 | W | 92.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 176.2 | -172.1 | -89.5 | 0 | 0 | 0 | 111.4 | V107 E108 T109 Q113 S114 K119 V122 M123 F131 L142 G143 | V107-W111 WeakPolarHBondContact O-CB 3.46Å; V107-W111 PolarHBondContact O-N 2.88Å; E108-W111 PolarHBondContact O-N 3.21Å; T109-W111 VanDerWaalsContact C-N 3.33Å; T109-W111 PolarHBondContact O-N 3.47Å; W111-Q113 VanDerWaalsContact C-N 3.26Å; W111-Q113 PolarHBondContact O-N 3.2Å; W111-S114 PolarHBondContact O-N 3.4Å; W111-K119 HydrophobicContact CD2-CD 4.42Å; W111-K119 HydrophobicContact CD2-CG 4.15Å; W111-K119 HydrophobicContact CE3-CG 4.34Å; W111-K119 HydrophobicContact CH2-CB 4.06Å; W111-K119 HydrophobicContact CH2-CG 4.17Å; W111-K119 HydrophobicContact CZ2-CB 4.11Å; W111-K119 HydrophobicContact CZ2-CD 4.09Å; W111-K119 HydrophobicContact CZ2-CG 3.96Å; W111-K119 HydrophobicContact CZ3-CB 4.48Å; W111-K119 HydrophobicContact CZ3-CG 4.35Å; W111-K119 WeakPolarHBondContact O-CE 3.46Å; W111-K119 PolarHBondContact O-NZ 3Å; W111-V122 HydrophobicContact CZ3-CB 4.23Å; W111-V122 HydrophobicContact CZ3-CG1 3.89Å; W111-M123 HydrophobicContact CH2-CG 4.18Å; W111-F131 HydrophobicContact CB-CD2 4.2Å; W111-F131 HydrophobicContact CD2-CB 4.15Å; W111-F131 HydrophobicContact CD2-CD2 4.08Å; W111-F131 HydrophobicContact CD2-CG 4.48Å; W111-F131 HydrophobicContact CE3-CD2 4.32Å; W111-F131 HydrophobicContact CG-CB 4.23Å; W111-F131 HydrophobicContact CG-CD2 4.04Å; W111-F131 HydrophobicContact CG-CG 4.29Å; W111-F131 HydrophobicContact CZ2-CB 4.34Å; W111-L142 PolarHBondContact NE1-O 3.46Å; W111-G143 PolarHBondContact NE1-O 3.46Å |
| 112 | K | 91.8 | Very high | 91.3 | Very high | 95 Ų | 95 | 65.8 Ų | 65.8 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 176.8 | -74.9 | 168.8 | 171 | 165.9 | 0 | 112.4 | E108 T109 A141 L142 | E108-K112 WeakPolarHBondContact O-CG 3.26Å; E108-K112 PolarHBondContact O-N 3.44Å; E108-K112 WeakPolarHBondContact OE1-CE 3.35Å; E108-K112 IonicContact OE1-NZ 2.67Å; E108-K112 PolarHBondContact OE1-NZ 2.98Å; T109-K112 PolarHBondContact O-N 3.28Å; K112-A141 HydrophobicContact CG-CB 4.32Å; K112-A141 WeakPolarHBondContact CG-O 3.34Å; K112-L142 HydrophobicContact CD-CD2 4.3Å; K112-L142 HydrophobicContact CG-CD2 3.69Å; K112-L142 HydrophobicContact CG-CG 4.35Å |
| 113 | Q | 90.8 | Very high | 91.2 | Very high | 162 Ų | 162 | 58.3 Ų | 58.3 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -85.8 | -11.9 | -178.9 | -65.7 | 178.8 | 1.5 | 0 | 0 | 113.9 | T109 A110 W111 | T109-Q113 WeakPolarHBondContact O-CG 3.48Å; T109-Q113 PolarHBondContact O-N 3.13Å; A110-Q113 PolarHBondContact O-N 3.3Å; W111-Q113 VanDerWaalsContact C-N 3.26Å; W111-Q113 PolarHBondContact O-N 3.2Å |
| 114 | S | 89.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -76.9 | 140.3 | -176.9 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | A110 W111 K119 | A110-S114 WeakPolarHBondContact O-CB 3.43Å; A110-S114 PolarHBondContact O-N 2.97Å; A110-S114 PolarHBondContact O-OG 3.31Å; W111-S114 PolarHBondContact O-N 3.4Å; S114-K119 VanDerWaalsContact O-CE 3.31Å; S114-K119 WeakPolarHBondContact O-CE 3.49Å |
| 115 | S | 89.1 | Confident | 91.1 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | trans | -66.4 | 159.5 | 172.3 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | N117 S118 K119 | S115-N117 PolarHBondContact O-N 3.12Å; S115-S118 PolarHBondContact O-N 3.02Å; S115-S118 VanDerWaalsContact O-N 3.08Å; S115-S118 PolarHBondContact OG-N 3.43Å; S115-S118 PolarHBondContact OG-OG 2.98Å; S115-K119 WeakPolarHBondContact O-CG 3.35Å; S115-K119 PolarHBondContact O-N 3.2Å | ||
| 116 | N | 88.8 | Confident | 91 | Very high | 79 Ų | 79 | 60.5 Ų | 60.5 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57 | -34.5 | 175.6 | -76.5 | -19.3 | 0 | 0 | 0 | 112.2 | K119 L120 P145 | N116-K119 PolarHBondContact O-N 3.44Å; N116-L120 VanDerWaalsContact O-CB 3.24Å; N116-L120 WeakPolarHBondContact O-CB 3.38Å; N116-L120 PolarHBondContact O-N 3.41Å; N116-P145 HydrophobicContact CB-CB 4.37Å; N116-P145 HydrophobicContact CB-CG 4.19Å |
| 117 | N | 88.5 | Confident | 90.9 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 176 | -170 | 66.9 | 0 | 0 | 0 | 112.1 | S115 L120 T121 | S115-N117 PolarHBondContact O-N 3.12Å; N117-L120 WeakPolarHBondContact O-CB 3.35Å; N117-L120 PolarHBondContact O-N 3.04Å; N117-T121 PolarHBondContact O-N 3.25Å; N117-T121 PolarHBondContact O-OG1 3.39Å; N117-T121 VanDerWaalsContact O-OG1 3.1Å |
| 118 | S | 88.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | S115 L120 T121 V122 | S115-S118 PolarHBondContact O-N 3.02Å; S115-S118 VanDerWaalsContact O-N 3.08Å; S115-S118 PolarHBondContact OG-N 3.43Å; S115-S118 PolarHBondContact OG-OG 2.98Å; S118-L120 VanDerWaalsContact C-N 3.27Å; S118-L120 PolarHBondContact O-N 3.06Å; S118-T121 PolarHBondContact O-N 2.96Å; S118-V122 WeakPolarHBondContact O-CG2 3.14Å; S118-V122 PolarHBondContact O-N 3.14Å |
| 119 | K | 89.6 | Confident | 90.5 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 174.2 | -67.8 | 175.6 | 178.6 | 175.3 | 0 | 111.1 | W111 S114 S115 N116 V122 M123 G143 | W111-K119 HydrophobicContact CD2-CD 4.42Å; W111-K119 HydrophobicContact CD2-CG 4.15Å; W111-K119 HydrophobicContact CE3-CG 4.34Å; W111-K119 HydrophobicContact CH2-CB 4.06Å; W111-K119 HydrophobicContact CH2-CG 4.17Å; W111-K119 HydrophobicContact CZ2-CB 4.11Å; W111-K119 HydrophobicContact CZ2-CD 4.09Å; W111-K119 HydrophobicContact CZ2-CG 3.96Å; W111-K119 HydrophobicContact CZ3-CB 4.48Å; W111-K119 HydrophobicContact CZ3-CG 4.35Å; W111-K119 WeakPolarHBondContact O-CE 3.46Å; W111-K119 PolarHBondContact O-NZ 3Å; S114-K119 VanDerWaalsContact O-CE 3.31Å; S114-K119 WeakPolarHBondContact O-CE 3.49Å; S115-K119 WeakPolarHBondContact O-CG 3.35Å; S115-K119 PolarHBondContact O-N 3.2Å; N116-K119 PolarHBondContact O-N 3.44Å; K119-V122 PolarHBondContact O-N 3.45Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.28Å; K119-M123 PolarHBondContact O-N 2.92Å; K119-G143 PolarHBondContact NZ-O 2.89Å |
| 120 | L | 90 | Very high | 90.2 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 177.2 | -174.4 | 66.3 | 0 | 0 | 0 | 112.5 | N116 N117 S118 V122 M123 T124 P145 L149 A150 | N116-L120 VanDerWaalsContact O-CB 3.24Å; N116-L120 WeakPolarHBondContact O-CB 3.38Å; N116-L120 PolarHBondContact O-N 3.41Å; N117-L120 WeakPolarHBondContact O-CB 3.35Å; N117-L120 PolarHBondContact O-N 3.04Å; S118-L120 VanDerWaalsContact C-N 3.27Å; S118-L120 PolarHBondContact O-N 3.06Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 3.32Å; L120-M123 HydrophobicContact CD1-CE 3.98Å; L120-M123 PolarHBondContact O-N 3.3Å; L120-T124 WeakPolarHBondContact O-CB 3.27Å; L120-T124 PolarHBondContact O-N 3.49Å; L120-T124 PolarHBondContact O-OG1 3.38Å; L120-P145 HydrophobicContact CB-CG 4.25Å; L120-P145 HydrophobicContact CD1-CG 4.45Å; L120-L149 VanDerWaalsContact CD1-C 3.46Å; L120-L149 HydrophobicContact CD1-CB 3.46Å; L120-L149 VanDerWaalsContact CD1-CB 3.46Å; L120-L149 HydrophobicContact CD2-CB 4.11Å; L120-L149 HydrophobicContact CD2-CD2 4.47Å; L120-L149 HydrophobicContact CG-CB 4.46Å; L120-A150 HydrophobicContact CD1-CB 3.79Å |
| 121 | T | 90.1 | Very high | 90 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | N117 S118 T124 A125 | N117-T121 PolarHBondContact O-N 3.25Å; N117-T121 PolarHBondContact O-OG1 3.39Å; N117-T121 VanDerWaalsContact O-OG1 3.1Å; S118-T121 PolarHBondContact O-N 2.96Å; T121-T124 PolarHBondContact O-N 2.83Å; T121-A125 WeakPolarHBondContact O-CB 3.46Å; T121-A125 PolarHBondContact O-N 3.4Å |
| 122 | V | 91 | Very high | 89.4 | Confident | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | W111 S118 K119 L120 T124 A125 F126 I187 | W111-V122 HydrophobicContact CZ3-CB 4.23Å; W111-V122 HydrophobicContact CZ3-CG1 3.89Å; S118-V122 WeakPolarHBondContact O-CG2 3.14Å; S118-V122 PolarHBondContact O-N 3.14Å; K119-V122 PolarHBondContact O-N 3.45Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 3.32Å; V122-T124 VanDerWaalsContact C-N 3.35Å; V122-T124 PolarHBondContact O-N 3.44Å; V122-A125 PolarHBondContact O-N 2.93Å; V122-F126 HydrophobicContact CG1-CD2 3.6Å; V122-F126 HydrophobicContact CG1-CE2 3.91Å; V122-F126 WeakPolarHBondContact O-CB 3.21Å; V122-F126 PolarHBondContact O-N 3.38Å; V122-I187 HydrophobicContact CG1-CD1 4.07Å |
| 123 | M | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 177 | -72.3 | -172.5 | -55.5 | 0 | 0 | 112.3 | W111 K119 L120 K127 C128 Y144 P145 A150 | W111-M123 HydrophobicContact CH2-CG 4.18Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.28Å; K119-M123 PolarHBondContact O-N 2.92Å; L120-M123 HydrophobicContact CD1-CE 3.98Å; L120-M123 PolarHBondContact O-N 3.3Å; M123-K127 VanDerWaalsContact O-CA 3.25Å; M123-K127 WeakPolarHBondContact O-CA 3.35Å; M123-K127 PolarHBondContact O-N 2.84Å; M123-C128 WeakPolarHBondContact CA-O 3.48Å; M123-C128 VanDerWaalsContact CB-O 3.24Å; M123-C128 WeakPolarHBondContact CB-O 3.45Å; M123-C128 WeakPolarHBondContact CG-O 3.44Å; M123-C128 PolarHBondContact O-N 2.92Å; M123-C128 VanDerWaalsContact O-N 3.14Å; M123-Y144 HydrophobicContact SD-CD2 4Å; M123-P145 HydrophobicContact CE-CG 3.66Å; M123-A150 HydrophobicContact CB-CB 3.79Å |
| 124 | T | 91.3 | Very high | 86.9 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 177.5 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | L120 T121 V122 A150 | L120-T124 WeakPolarHBondContact O-CB 3.27Å; L120-T124 PolarHBondContact O-N 3.49Å; L120-T124 PolarHBondContact O-OG1 3.38Å; T121-T124 PolarHBondContact O-N 2.83Å; V122-T124 VanDerWaalsContact C-N 3.35Å; V122-T124 PolarHBondContact O-N 3.44Å; T124-A150 WeakPolarHBondContact OG1-CA 3.36Å |
| 125 | A | 91.2 | Very high | 85.7 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T121 V122 | T121-A125 WeakPolarHBondContact O-CB 3.46Å; T121-A125 PolarHBondContact O-N 3.4Å; V122-A125 PolarHBondContact O-N 2.93Å |
| 126 | F | 92.3 | Very high | 84.6 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -97.9 | 2.1 | -178.8 | -64.1 | -43.2 | 0 | 0 | 0 | 114.2 | V122 C128 V186 I187 | V122-F126 HydrophobicContact CG1-CD2 3.6Å; V122-F126 HydrophobicContact CG1-CE2 3.91Å; V122-F126 WeakPolarHBondContact O-CB 3.21Å; V122-F126 PolarHBondContact O-N 3.38Å; F126-C128 HydrophobicContact CB-CB 4.48Å; F126-C128 PolarHBondContact O-N 3.01Å; F126-V186 HydrophobicContact CB-CB 4.46Å; F126-V186 HydrophobicContact CB-CG1 3.99Å; F126-V186 HydrophobicContact CD1-CG1 4.27Å; F126-V186 HydrophobicContact CG-CG1 4.24Å; F126-I187 HydrophobicContact CD2-CD1 4.41Å; F126-I187 HydrophobicContact CD2-CG1 3.86Å; F126-I187 HydrophobicContact CE2-CD1 4.44Å; F126-I187 HydrophobicContact CE2-CG1 3.82Å |
| 127 | K | 91.7 | Very high | 83.5 | Confident | 154 Ų | 154 | 57.2 Ų | 57.2 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.5 | -177.8 | -57.9 | -176.5 | 179.4 | -178 | 0 | 112.2 | M123 | M123-K127 VanDerWaalsContact O-CA 3.25Å; M123-K127 WeakPolarHBondContact O-CA 3.35Å; M123-K127 PolarHBondContact O-N 2.84Å |
| 128 | C | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -126.8 | 162.2 | -176.6 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | M123 F126 T181 C183 V186 | M123-C128 WeakPolarHBondContact CA-O 3.48Å; M123-C128 VanDerWaalsContact CB-O 3.24Å; M123-C128 WeakPolarHBondContact CB-O 3.45Å; M123-C128 WeakPolarHBondContact CG-O 3.44Å; M123-C128 PolarHBondContact O-N 2.92Å; M123-C128 VanDerWaalsContact O-N 3.14Å; F126-C128 HydrophobicContact CB-CB 4.48Å; F126-C128 PolarHBondContact O-N 3.01Å; C128-T181 WeakPolarHBondContact CA-O 3.4Å; C128-T181 HydrophobicContact CB-CG2 4.43Å; C128-C183 VanDerWaalsContact C-SG 3.54Å; C128-C183 HydrophobicContact CB-CB 3.85Å; C128-C183 WeakPolarHBondContact CB-SG 3.34Å; C128-C183 WeakPolarHBondContact SG-CA 3.45Å; C128-C183 WeakPolarHBondContact SG-CB 3.45Å; C128-C183 CovalentContact SG-SG 2.03Å; C128-C183 PolarHBondContact SG-SG 3.27Å; C128-V186 HydrophobicContact CB-CG2 4.39Å | ||
| 129 | C | 87.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | -132.6 | 123.6 | -176.3 | 176.5 | 0 | 0 | 0 | 0 | 110 | C147 L152 C179 T181 | C129-C147 VanDerWaalsContact CA-SG 3.53Å; C129-C147 HydrophobicContact CB-CB 3.9Å; C129-C147 WeakPolarHBondContact CB-SG 3.25Å; C129-C147 WeakPolarHBondContact SG-CB 3.43Å; C129-C147 CovalentContact SG-SG 2.01Å; C129-C147 PolarHBondContact SG-SG 3.01Å; C129-L152 HydrophobicContact CB-CD2 4.43Å; C129-C179 HydrophobicContact CB-CB 4.27Å; C129-T181 PolarHBondContact N-O 3.05Å | ||
| 130 | G | 85.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 68.4 | 164.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C183 | G130-C183 WeakPolarHBondContact O-CB 3.33Å; G130-C183 PolarHBondContact O-N 2.77Å; G130-C183 PolarHBondContact O-SG 2.87Å; G130-C183 VanDerWaalsContact O-SG 3.32Å |
| 131 | F | 87.3 | Confident | 80.1 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -72.3 | -65.8 | -179.5 | 179.5 | -110.8 | 0 | 0 | 0 | 111.9 | V107 E108 W111 L142 C183 W184 | V107-F131 HydrophobicContact CG1-CE2 3.85Å; E108-F131 HydrophobicContact CB-CE1 3.92Å; E108-F131 HydrophobicContact CB-CZ 3.75Å; E108-F131 HydrophobicContact CG-CD1 4.47Å; E108-F131 HydrophobicContact CG-CE1 3.78Å; E108-F131 HydrophobicContact CG-CZ 4.14Å; W111-F131 HydrophobicContact CB-CD2 4.2Å; W111-F131 HydrophobicContact CD2-CB 4.15Å; W111-F131 HydrophobicContact CD2-CD2 4.08Å; W111-F131 HydrophobicContact CD2-CG 4.48Å; W111-F131 HydrophobicContact CE3-CD2 4.32Å; W111-F131 HydrophobicContact CG-CB 4.23Å; W111-F131 HydrophobicContact CG-CD2 4.04Å; W111-F131 HydrophobicContact CG-CG 4.29Å; W111-F131 HydrophobicContact CZ2-CB 4.34Å; F131-L142 HydrophobicContact CD1-CD1 4.19Å; F131-L142 HydrophobicContact CD1-CD2 4.05Å; F131-L142 HydrophobicContact CG-CD2 4.4Å; F131-C183 PolarHBondContact O-N 3.44Å; F131-W184 HydrophobicContact CD2-CB 4.49Å; F131-W184 HydrophobicContact CE2-CB 4.22Å; F131-W184 AromaticContact CE2-CE3 3.96Å; F131-W184 HydrophobicContact CE2-CE3 3.96Å; F131-W184 HydrophobicContact CZ-CB 4.34Å; F131-W184 HydrophobicContact CZ-CD2 4.23Å; F131-W184 AromaticContact CZ-CE3 3.93Å; F131-W184 HydrophobicContact CZ-CE3 3.93Å; F131-W184 HydrophobicContact CZ-CG 4.41Å; F131-W184 WeakPolarHBondContact O-CB 3.39Å; F131-W184 PolarHBondContact O-N 2.81Å |
| 132 | S | 80.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.4 | -36.9 | 179.4 | 179 | 0 | 0 | 0 | 0 | 111.7 | ||
| 133 | R | 69.3 | Low | 79.2 | Confident | 167 Ų | 167 | 57.3 Ų | 57.3 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | trans | -118.3 | 146.7 | 172.5 | -56.8 | -174.1 | 163.9 | 164 | -3.2 | 111.6 | D135 L136 | R133-D135 WeakPolarHBondContact CB-OD1 3.47Å; R133-L136 HydrophobicContact CB-CD1 4.1Å | ||
| 134 | S | 61.2 | Low | 78.8 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -96.3 | 12.7 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | Y144 | S134-Y144 WeakPolarHBondContact CA-OH 3.42Å; S134-Y144 PolarHBondContact O-OH 3.09Å |
| 135 | D | 64 | Low | 78.4 | Confident | 113 Ų | 113 | 55 Ų | 55 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | trans | -105.9 | -4.9 | -177.6 | 64 | -18.9 | 0 | 0 | 0 | 113.2 | R133 S137 | R133-D135 WeakPolarHBondContact CB-OD1 3.47Å; D135-S137 PolarHBondContact O-N 3.21Å | ||
| 136 | L | 65.5 | Low | 78.1 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | trans | -81 | 117.5 | -176.4 | -76 | 146.3 | 0 | 0 | 0 | 111.4 | R133 A140 L142 Y144 | R133-L136 HydrophobicContact CB-CD1 4.1Å; L136-A140 HydrophobicContact CB-CB 4.38Å; L136-A140 HydrophobicContact CD2-CB 3.62Å; L136-L142 HydrophobicContact CD1-CB 4.08Å; L136-Y144 HydrophobicContact CB-CE1 4.31Å; L136-Y144 WeakPolarHBondContact O-CE1 3.36Å | ||
| 137 | S | 66.3 | Low | 77.7 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | trans | -55.3 | 149.1 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | D135 S139 A140 G143 S169 | D135-S137 PolarHBondContact O-N 3.21Å; S137-S139 PolarHBondContact O-N 2.93Å; S137-A140 WeakPolarHBondContact O-CB 3.39Å; S137-A140 PolarHBondContact O-N 3.38Å; S137-G143 WeakPolarHBondContact O-CA 3.36Å; S137-S169 WeakPolarHBondContact CA-OG 3.37Å; S137-S169 WeakPolarHBondContact CB-OG 3.23Å | ||
| 138 | S | 65.3 | Low | 77.3 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.7 | -179.7 | -51.4 | 0 | 0 | 0 | 0 | 114.1 | Y144 | S138-Y144 WeakPolarHBondContact CB-O 3.5Å; S138-Y144 PolarHBondContact OG-O 2.86Å |
| 139 | S | 68.7 | Low | 77.1 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 83% | 0.832 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.1 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 114.3 | S137 | S137-S139 PolarHBondContact O-N 2.93Š|
| 140 | A | 76.1 | Confident | 77 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -73 | 155.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | L136 S137 L142 G143 | L136-A140 HydrophobicContact CB-CB 4.38Å; L136-A140 HydrophobicContact CD2-CB 3.62Å; S137-A140 WeakPolarHBondContact O-CB 3.39Å; S137-A140 PolarHBondContact O-N 3.38Å; A140-L142 PolarHBondContact O-N 3.44Å; A140-L142 VanDerWaalsContact O-N 3.15Å; A140-G143 WeakPolarHBondContact O-CA 3.14Å; A140-G143 PolarHBondContact O-N 2.73Å |
| 141 | A | 74.7 | Confident | 77 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | K112 | K112-A141 HydrophobicContact CG-CB 4.32Å; K112-A141 WeakPolarHBondContact CG-O 3.34Å |
| 142 | L | 80 | Confident | 76.9 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 10.5 | 174 | -67.7 | 175.3 | 0 | 0 | 0 | 113.7 | E108 W111 K112 F131 L136 A140 | E108-L142 HydrophobicContact CG-CD1 4.16Å; E108-L142 HydrophobicContact CG-CD2 3.58Å; E108-L142 HydrophobicContact CG-CG 4.44Å; W111-L142 PolarHBondContact NE1-O 3.46Å; K112-L142 HydrophobicContact CD-CD2 4.3Å; K112-L142 HydrophobicContact CG-CD2 3.69Å; K112-L142 HydrophobicContact CG-CG 4.35Å; F131-L142 HydrophobicContact CD1-CD1 4.19Å; F131-L142 HydrophobicContact CD1-CD2 4.05Å; F131-L142 HydrophobicContact CG-CD2 4.4Å; L136-L142 HydrophobicContact CD1-CB 4.08Å; A140-L142 PolarHBondContact O-N 3.44Å; A140-L142 VanDerWaalsContact O-N 3.15Å |
| 143 | G | 81.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -59.3 | 162.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W111 K119 S137 A140 | W111-G143 PolarHBondContact NE1-O 3.46Å; K119-G143 PolarHBondContact NZ-O 2.89Å; S137-G143 WeakPolarHBondContact O-CA 3.36Å; A140-G143 WeakPolarHBondContact O-CA 3.14Å; A140-G143 PolarHBondContact O-N 2.73Å | ||
| 144 | Y | 82.3 | Confident | 77.8 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -149.9 | 156.5 | -175.5 | 57 | -84.6 | 0 | 0 | 0 | 109.6 | M123 S134 L136 S138 C147 | M123-Y144 HydrophobicContact SD-CD2 4Å; S134-Y144 WeakPolarHBondContact CA-OH 3.42Å; S134-Y144 PolarHBondContact O-OH 3.09Å; L136-Y144 HydrophobicContact CB-CE1 4.31Å; L136-Y144 WeakPolarHBondContact O-CE1 3.36Å; S138-Y144 WeakPolarHBondContact CB-O 3.5Å; S138-Y144 PolarHBondContact OG-O 2.86Å; Y144-C147 WeakPolarHBondContact CE2-SG 3.37Å | ||
| 145 | P | 84.3 | Confident | 78.8 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | trans | -68.5 | 157 | 175.2 | 27.8 | -31.7 | 0 | 0 | 0 | 110.5 | N116 L120 M123 C147 | N116-P145 HydrophobicContact CB-CB 4.37Å; N116-P145 HydrophobicContact CB-CG 4.19Å; L120-P145 HydrophobicContact CB-CG 4.25Å; L120-P145 HydrophobicContact CD1-CG 4.45Å; M123-P145 HydrophobicContact CE-CG 3.66Å; P145-C147 PolarHBondContact O-N 3.48Å | ||
| 146 | P | 83.4 | Confident | 79.6 | Confident | 33 Ų | 33 | 53 Ų | 53 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | trans | -50.1 | 132.3 | -179.9 | -27.6 | 33.7 | 0 | 0 | 0 | 113 | K148 L149 C166 Q167 | P146-K148 PolarHBondContact O-N 3.28Å; P146-K148 VanDerWaalsContact O-N 3.08Å; P146-L149 HydrophobicContact CB-CD1 3.73Å; P146-L149 HydrophobicContact CG-CD1 4.06Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 WeakPolarHBondContact O-CD1 3.44Å; P146-L149 PolarHBondContact O-N 3.47Å; P146-C166 CarbonylContact C-O 3.47Å; P146-C166 WeakPolarHBondContact CB-O 3.42Å; P146-Q167 WeakPolarHBondContact CB-O 3.31Å; P146-Q167 VanDerWaalsContact CG-O 3.25Å; P146-Q167 WeakPolarHBondContact CG-O 3.36Å | ||
| 147 | C | 85.7 | Confident | 80.1 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -62.4 | -20.4 | -176.2 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | C129 Y144 P145 L149 A150 C166 | C129-C147 VanDerWaalsContact CA-SG 3.53Å; C129-C147 HydrophobicContact CB-CB 3.9Å; C129-C147 WeakPolarHBondContact CB-SG 3.25Å; C129-C147 WeakPolarHBondContact SG-CB 3.43Å; C129-C147 CovalentContact SG-SG 2.01Å; C129-C147 PolarHBondContact SG-SG 3.01Å; Y144-C147 WeakPolarHBondContact CE2-SG 3.37Å; P145-C147 PolarHBondContact O-N 3.48Å; C147-L149 PolarHBondContact O-N 3.32Å; C147-A150 PolarHBondContact O-N 2.99Å; C147-C166 HydrophobicContact CB-CB 4.32Å; C147-C166 PolarHBondContact N-O 3.06Å |
| 148 | K | 83 | Confident | 80.3 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -50.3 | -41.6 | 167.7 | -178 | 175.3 | -179.3 | 159.4 | 0 | 112.7 | P146 A150 K151 T162 C166 | P146-K148 PolarHBondContact O-N 3.28Å; P146-K148 VanDerWaalsContact O-N 3.08Å; K148-A150 PolarHBondContact O-N 3.35Å; K148-K151 PolarHBondContact O-N 2.93Å; K148-K151 VanDerWaalsContact O-N 3.07Å; K148-T162 HydrophobicContact CB-CG2 3.91Å; K148-T162 HydrophobicContact CD-CG2 3.85Å; K148-T162 WeakPolarHBondContact CD-OG1 3.44Å; K148-T162 WeakPolarHBondContact CE-OG1 3.1Å; K148-T162 HydrophobicContact CG-CG2 3.75Å; K148-T162 PolarHBondContact NZ-OG1 3.47Å; K148-C166 PolarHBondContact N-O 3.39Å |
| 149 | L | 85.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -64.7 | -25.8 | -176.3 | -79.8 | 79 | 0 | 0 | 0 | 111.6 | L120 P146 C147 K151 | L120-L149 VanDerWaalsContact CD1-C 3.46Å; L120-L149 HydrophobicContact CD1-CB 3.46Å; L120-L149 VanDerWaalsContact CD1-CB 3.46Å; L120-L149 HydrophobicContact CD2-CB 4.11Å; L120-L149 HydrophobicContact CD2-CD2 4.47Å; L120-L149 HydrophobicContact CG-CB 4.46Å; P146-L149 HydrophobicContact CB-CD1 3.73Å; P146-L149 HydrophobicContact CG-CD1 4.06Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 WeakPolarHBondContact O-CD1 3.44Å; P146-L149 PolarHBondContact O-N 3.47Å; C147-L149 PolarHBondContact O-N 3.32Å; L149-K151 PolarHBondContact O-N 3.35Å |
| 150 | A | 85.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -81.2 | 0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L120 M123 T124 C147 K148 L152 | L120-A150 HydrophobicContact CD1-CB 3.79Å; M123-A150 HydrophobicContact CB-CB 3.79Å; T124-A150 WeakPolarHBondContact OG1-CA 3.36Å; C147-A150 PolarHBondContact O-N 2.99Å; K148-A150 PolarHBondContact O-N 3.35Å; A150-L152 HydrophobicContact CB-CD1 3.21Å; A150-L152 PolarHBondContact O-N 3.48Å |
| 151 | K | 85.9 | Confident | 80.3 | Confident | 189 Ų | 189 | 64.5 Ų | 64.5 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.2 | 178.4 | -57.8 | -178.6 | -179.9 | -179.5 | 0 | 112.6 | K148 L149 | K148-K151 PolarHBondContact O-N 2.93Å; K148-K151 VanDerWaalsContact O-N 3.07Å; L149-K151 PolarHBondContact O-N 3.35Å |
| 152 | L | 85.4 | Confident | 79.9 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | trans | -72.8 | 132.3 | 175.2 | -85.3 | 72.5 | 0 | 0 | 0 | 109.9 | C129 A150 C154 C155 | C129-L152 HydrophobicContact CB-CD2 4.43Å; A150-L152 HydrophobicContact CB-CD1 3.21Å; A150-L152 PolarHBondContact O-N 3.48Å; L152-C154 PolarHBondContact O-N 3.45Å; L152-C154 VanDerWaalsContact O-N 3.16Å; L152-C155 WeakPolarHBondContact O-CB 3.39Å; L152-C155 PolarHBondContact O-N 2.94Å | ||
| 153 | S | 85.1 | Confident | 79.5 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 67% | 0.671 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -60.8 | -24.9 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | C155 D156 | S153-C155 PolarHBondContact O-N 2.9Å; S153-D156 PolarHBondContact O-N 2.86Å |
| 154 | C | 84.5 | Confident | 78.9 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -70.6 | -18.1 | 175.3 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | L152 D156 P178 C179 | L152-C154 PolarHBondContact O-N 3.45Å; L152-C154 VanDerWaalsContact O-N 3.16Å; C154-D156 VanDerWaalsContact C-N 3.34Å; C154-P178 HydrophobicContact CB-CB 4.48Å; C154-P178 VanDerWaalsContact O-CB 3.3Å; C154-P178 WeakPolarHBondContact O-CB 3.42Å; C154-P178 WeakPolarHBondContact O-CG 3.4Å; C154-C179 HydrophobicContact CB-CB 4.14Å; C154-C179 WeakPolarHBondContact CB-SG 3.38Å; C154-C179 VanDerWaalsContact SG-CA 3.53Å; C154-C179 WeakPolarHBondContact SG-CB 3.43Å; C154-C179 CovalentContact SG-SG 2.03Å; C154-C179 PolarHBondContact SG-SG 3.15Å |
| 155 | C | 81.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -83.6 | -11.5 | 177.5 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | L152 S153 T162 A163 C166 C179 | L152-C155 WeakPolarHBondContact O-CB 3.39Å; L152-C155 PolarHBondContact O-N 2.94Å; S153-C155 PolarHBondContact O-N 2.9Å; C155-T162 HydrophobicContact CB-CG2 3.89Å; C155-T162 WeakPolarHBondContact O-CA 3.3Å; C155-T162 WeakPolarHBondContact O-CG2 3.18Å; C155-A163 PolarHBondContact O-N 3.41Å; C155-C166 VanDerWaalsContact CA-SG 3.54Å; C155-C166 HydrophobicContact CB-CB 3.71Å; C155-C166 WeakPolarHBondContact CB-SG 3.17Å; C155-C166 WeakPolarHBondContact SG-CB 3.35Å; C155-C166 CovalentContact SG-SG 2.05Å; C155-C166 PolarHBondContact SG-SG 3.42Å; C155-C179 PolarHBondContact SG-SG 3.35Å |
| 156 | D | 81.1 | Confident | 77.9 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 60% | 0.599 | 38% | 0.379 | S | S | * | . | B | Isolated β-bridge | trans | -79.7 | 123.4 | 179.7 | -59.4 | -33.9 | 0 | 0 | 0 | 109.4 | S153 C154 | S153-D156 PolarHBondContact O-N 2.86Å; C154-D156 VanDerWaalsContact C-N 3.34Å |
| 157 | T | 74.9 | Confident | 77.3 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | trans | -90.3 | 158.2 | 172.3 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | E159 G160 E161 A163 | T157-E159 PolarHBondContact O-N 3.47Å; T157-E159 VanDerWaalsContact O-N 3.08Å; T157-G160 PolarHBondContact O-N 3.16Å; T157-E161 VanDerWaalsContact CB-O 3.24Å; T157-E161 WeakPolarHBondContact CB-O 3.43Å; T157-E161 VanDerWaalsContact CG2-O 3.25Å; T157-E161 WeakPolarHBondContact CG2-O 2.96Å; T157-E161 PolarHBondContact N-O 2.95Å; T157-E161 VanDerWaalsContact OG1-C 3.25Å; T157-E161 WeakPolarHBondContact OG1-CA 3.36Å; T157-E161 PolarHBondContact OG1-N 3.45Å; T157-E161 VanDerWaalsContact OG1-N 3.08Å; T157-E161 PolarHBondContact OG1-O 3.4Å; T157-A163 HydrophobicContact CG2-CB 4.26Å | ||
| 158 | P | 71.2 | Confident | 76.2 | Confident | 141 Ų | 141 | 73.2 Ų | 73.2 | 92% | 0.916 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.7 | 176.8 | -23.8 | 33.9 | 0 | 0 | 0 | 114.1 | G160 | P158-G160 VanDerWaalsContact C-N 3.29Š|
| 159 | E | 71.8 | Confident | 74.9 | Confident | 162 Ų | 162 | 71.6 Ų | 71.6 | 76% | 0.757 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.1 | -179.6 | -68.5 | 154.8 | -172.4 | 0 | 0 | 112.5 | T157 E161 | T157-E159 PolarHBondContact O-N 3.47Å; T157-E159 VanDerWaalsContact O-N 3.08Å; E159-E161 PolarHBondContact O-N 2.94Å |
| 160 | G | 68.4 | Low | 73.4 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 73% | 0.732 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 77.3 | 0.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T157 P158 | T157-G160 PolarHBondContact O-N 3.16Å; P158-G160 VanDerWaalsContact C-N 3.29Å |
| 161 | E | 69.8 | Low | 71.9 | Confident | 134 Ų | 134 | 77 Ų | 77 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 158.1 | 173.9 | -60.1 | -162.3 | 146.8 | 0 | 0 | 111.2 | T157 E159 | T157-E161 VanDerWaalsContact CB-O 3.24Å; T157-E161 WeakPolarHBondContact CB-O 3.43Å; T157-E161 VanDerWaalsContact CG2-O 3.25Å; T157-E161 WeakPolarHBondContact CG2-O 2.96Å; T157-E161 PolarHBondContact N-O 2.95Å; T157-E161 VanDerWaalsContact OG1-C 3.25Å; T157-E161 WeakPolarHBondContact OG1-CA 3.36Å; T157-E161 PolarHBondContact OG1-N 3.45Å; T157-E161 VanDerWaalsContact OG1-N 3.08Å; T157-E161 PolarHBondContact OG1-O 3.4Å; E159-E161 PolarHBondContact O-N 2.94Å |
| 162 | T | 67.4 | Low | 70.2 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 13% | 0.129 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 130.7 | 177.5 | -41 | 0 | 0 | 0 | 0 | 110.3 | K148 C155 K164 C166 Q167 | K148-T162 HydrophobicContact CB-CG2 3.91Å; K148-T162 HydrophobicContact CD-CG2 3.85Å; K148-T162 WeakPolarHBondContact CD-OG1 3.44Å; K148-T162 WeakPolarHBondContact CE-OG1 3.1Å; K148-T162 HydrophobicContact CG-CG2 3.75Å; K148-T162 PolarHBondContact NZ-OG1 3.47Å; C155-T162 HydrophobicContact CB-CG2 3.89Å; C155-T162 WeakPolarHBondContact O-CA 3.3Å; C155-T162 WeakPolarHBondContact O-CG2 3.18Å; T162-K164 PolarHBondContact O-N 3.27Å; T162-C166 HydrophobicContact CG2-CB 4.03Å; T162-Q167 PolarHBondContact O-NE2 2.93Å |
| 163 | A | 69.9 | Low | 68.7 | Low | 13 Ų | 13 | 78.9 Ų | 78.9 | 11% | 0.107 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 128.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | C155 T157 C165 C166 P178 | C155-A163 PolarHBondContact O-N 3.41Å; T157-A163 HydrophobicContact CG2-CB 4.26Å; A163-C165 PolarHBondContact O-N 3.5Å; A163-C165 VanDerWaalsContact O-N 3.09Å; A163-C166 WeakPolarHBondContact O-CA 3.33Å; A163-C166 WeakPolarHBondContact O-CB 3.4Å; A163-C166 PolarHBondContact O-N 3.42Å; A163-P178 HydrophobicContact CB-CG 3.96Å |
| 164 | K | 69.2 | Low | 67.2 | Low | 153 Ų | 153 | 79.7 Ų | 79.7 | 67% | 0.665 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -54.4 | -35 | -173.5 | -68.1 | -175.1 | 179.3 | 179.5 | 0 | 112.9 | T162 C166 Q167 V171 | T162-K164 PolarHBondContact O-N 3.27Å; K164-C166 PolarHBondContact O-N 3.31Å; K164-Q167 WeakPolarHBondContact O-CB 3.32Å; K164-Q167 PolarHBondContact O-N 2.87Å; K164-Q167 VanDerWaalsContact O-N 3.08Å; K164-V171 HydrophobicContact CB-CG2 4.02Å |
| 165 | C | 70.3 | Confident | 66.1 | Low | 23 Ų | 23 | 81.6 Ų | 81.6 | 16% | 0.155 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -64.4 | -24.7 | 176.6 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | A163 Q167 V171 C177 | A163-C165 PolarHBondContact O-N 3.5Å; A163-C165 VanDerWaalsContact O-N 3.09Å; C165-Q167 VanDerWaalsContact C-N 3.3Å; C165-V171 VanDerWaalsContact CA-CG2 3.41Å; C165-V171 HydrophobicContact CB-CG2 3.95Å; C165-C177 HydrophobicContact CB-CB 3.5Å; C165-C177 VanDerWaalsContact CB-CB 3.5Å; C165-C177 WeakPolarHBondContact CB-SG 3.4Å; C165-C177 WeakPolarHBondContact SG-CA 3.43Å; C165-C177 WeakPolarHBondContact SG-CB 3.41Å; C165-C177 CovalentContact SG-SG 2.03Å; C165-C177 PolarHBondContact SG-SG 3.07Å |
| 166 | C | 75.9 | Confident | 65.4 | Low | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -80.9 | -8.2 | 175.7 | -72.1 | 0 | 0 | 0 | 0 | 113.5 | P146 C147 K148 C155 T162 A163 K164 | P146-C166 CarbonylContact C-O 3.47Å; P146-C166 WeakPolarHBondContact CB-O 3.42Å; C147-C166 HydrophobicContact CB-CB 4.32Å; C147-C166 PolarHBondContact N-O 3.06Å; K148-C166 PolarHBondContact N-O 3.39Å; C155-C166 VanDerWaalsContact CA-SG 3.54Å; C155-C166 HydrophobicContact CB-CB 3.71Å; C155-C166 WeakPolarHBondContact CB-SG 3.17Å; C155-C166 WeakPolarHBondContact SG-CB 3.35Å; C155-C166 CovalentContact SG-SG 2.05Å; C155-C166 PolarHBondContact SG-SG 3.42Å; T162-C166 HydrophobicContact CG2-CB 4.03Å; A163-C166 WeakPolarHBondContact O-CA 3.33Å; A163-C166 WeakPolarHBondContact O-CB 3.4Å; A163-C166 PolarHBondContact O-N 3.42Å; K164-C166 PolarHBondContact O-N 3.31Å |
| 167 | Q | 70.2 | Confident | 64.8 | Low | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -88.6 | -7.6 | -174.6 | -58.1 | -172.8 | 12.9 | 0 | 0 | 113.8 | P146 T162 K164 C165 | P146-Q167 WeakPolarHBondContact CB-O 3.31Å; P146-Q167 VanDerWaalsContact CG-O 3.25Å; P146-Q167 WeakPolarHBondContact CG-O 3.36Å; T162-Q167 PolarHBondContact O-NE2 2.93Å; K164-Q167 WeakPolarHBondContact O-CB 3.32Å; K164-Q167 PolarHBondContact O-N 2.87Å; K164-Q167 VanDerWaalsContact O-N 3.08Å; C165-Q167 VanDerWaalsContact C-N 3.3Å |
| 168 | G | 62.4 | Low | 64.8 | Low | 31 Ų | 31 | 86.6 Ų | 86.6 | 32% | 0.32 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 78.5 | 104.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 169 | S | 56.4 | Low | 65.1 | Low | 72 Ų | 72 | 80.1 Ų | 80.1 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 63.3 | 70.1 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 116.5 | S137 | S137-S169 WeakPolarHBondContact CA-OG 3.37Å; S137-S169 WeakPolarHBondContact CB-OG 3.23Å |
| 170 | D | 53.6 | Low | 65.4 | Low | 159 Ų | 159 | 77.8 Ų | 77.8 | 85% | 0.85 | 46% | 0.462 | S | S | * | . | trans | -168.1 | 45.5 | 145.3 | -119.4 | -17.9 | 0 | 0 | 0 | 113.5 | ||||
| 171 | V | 53.8 | Low | 66.3 | Low | 52 Ų | 52 | 77.5 Ų | 77.5 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | trans | -111.5 | 94.8 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | K164 C165 T175 | K164-V171 HydrophobicContact CB-CG2 4.02Å; C165-V171 VanDerWaalsContact CA-CG2 3.41Å; C165-V171 HydrophobicContact CB-CG2 3.95Å; V171-T175 VanDerWaalsContact CG1-CB 3.45Å; V171-T175 VanDerWaalsContact CG1-OG1 3.32Å; V171-T175 WeakPolarHBondContact CG1-OG1 3.35Å | ||
| 172 | G | 50.9 | Low | 67.2 | Low | 53 Ų | 53 | 71.8 Ų | 71.8 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | trans | -48.3 | 151.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S174 | G172-S174 PolarHBondContact O-N 3.13Š| ||
| 173 | N | 54.8 | Low | 68.4 | Low | 183 Ų | 183 | 70.8 Ų | 70.8 | 98% | 0.979 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 12 | -168.8 | -90.2 | -11.1 | 0 | 0 | 0 | 119.4 | ||
| 174 | S | 53.7 | Low | 69.5 | Low | 113 Ų | 113 | 71.1 Ų | 71.1 | 79% | 0.79 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.8 | 14.9 | -163.6 | 34.8 | 0 | 0 | 0 | 0 | 115.6 | G172 | G172-S174 PolarHBondContact O-N 3.13Š|
| 175 | T | 61.5 | Low | 70.6 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | trans | -112.3 | 116.6 | 175.4 | -26.3 | 0 | 0 | 0 | 0 | 111.2 | V171 C177 | V171-T175 VanDerWaalsContact CG1-CB 3.45Å; V171-T175 VanDerWaalsContact CG1-OG1 3.32Å; V171-T175 WeakPolarHBondContact CG1-OG1 3.35Å; T175-C177 PolarHBondContact O-N 3.21Å | ||
| 176 | F | 65.2 | Low | 71.7 | Confident | 178 Ų | 178 | 67 Ų | 67 | 78% | 0.781 | 40% | 0.402 | S | S | * | . | trans | -54.7 | 123.8 | 175.7 | 174.1 | -98 | 0 | 0 | 0 | 110.3 | P178 | F176-P178 HydrophobicContact CE1-CB 4.44Š| ||
| 177 | C | 69.6 | Low | 72.5 | Confident | 24 Ų | 24 | 68 Ų | 68 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | trans | -101.2 | 119.2 | 175.7 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | C165 T175 C179 T180 | C165-C177 HydrophobicContact CB-CB 3.5Å; C165-C177 VanDerWaalsContact CB-CB 3.5Å; C165-C177 WeakPolarHBondContact CB-SG 3.4Å; C165-C177 WeakPolarHBondContact SG-CA 3.43Å; C165-C177 WeakPolarHBondContact SG-CB 3.41Å; C165-C177 CovalentContact SG-SG 2.03Å; C165-C177 PolarHBondContact SG-SG 3.07Å; T175-C177 PolarHBondContact O-N 3.21Å; C177-C179 PolarHBondContact O-N 2.8Å; C177-T180 WeakPolarHBondContact O-CG2 3.34Å | ||
| 178 | P | 74 | Confident | 73.7 | Confident | 55 Ų | 55 | 67 Ų | 67 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -65.3 | -24.9 | 179.8 | 25 | -35.8 | 0 | 0 | 0 | 113.7 | C154 A163 F176 T180 | C154-P178 HydrophobicContact CB-CB 4.48Å; C154-P178 VanDerWaalsContact O-CB 3.3Å; C154-P178 WeakPolarHBondContact O-CB 3.42Å; C154-P178 WeakPolarHBondContact O-CG 3.4Å; A163-P178 HydrophobicContact CB-CG 3.96Å; F176-P178 HydrophobicContact CE1-CB 4.44Å; P178-T180 PolarHBondContact O-N 2.88Å |
| 179 | C | 77.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.034 | 41% | 0.414 | C | S | . | . | trans | -90.3 | 86.3 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | C129 C154 C155 C177 | C129-C179 HydrophobicContact CB-CB 4.27Å; C154-C179 HydrophobicContact CB-CB 4.14Å; C154-C179 WeakPolarHBondContact CB-SG 3.38Å; C154-C179 VanDerWaalsContact SG-CA 3.53Å; C154-C179 WeakPolarHBondContact SG-CB 3.43Å; C154-C179 CovalentContact SG-SG 2.03Å; C154-C179 PolarHBondContact SG-SG 3.15Å; C155-C179 PolarHBondContact SG-SG 3.35Å; C177-C179 PolarHBondContact O-N 2.8Å | ||
| 180 | T | 78.7 | Confident | 76.9 | Confident | 113 Ų | 113 | 76 Ų | 76 | 69% | 0.693 | 42% | 0.42 | S | S | * | . | trans | -93.4 | -11.6 | -178.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | C177 P178 A182 | C177-T180 WeakPolarHBondContact O-CG2 3.34Å; P178-T180 PolarHBondContact O-N 2.88Å; T180-A182 PolarHBondContact O-N 3.45Å | ||
| 181 | T | 87.6 | Confident | 78.9 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | trans | -77.2 | 104.8 | -176.1 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | C128 C129 V186 | C128-T181 WeakPolarHBondContact CA-O 3.4Å; C128-T181 HydrophobicContact CB-CG2 4.43Å; C129-T181 PolarHBondContact N-O 3.05Å; T181-V186 HydrophobicContact CG2-CG2 3.59Å | ||
| 182 | A | 88.7 | Confident | 80.7 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 12% | 0.124 | 39% | 0.39 | C | S | . | . | trans | -72.2 | 140.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T180 W184 T185 | T180-A182 PolarHBondContact O-N 3.45Å; A182-W184 PolarHBondContact O-N 3.22Å; A182-T185 HydrophobicContact CB-CG2 4.36Å; A182-T185 PolarHBondContact O-N 2.86Å; A182-T185 VanDerWaalsContact O-N 3.07Å; A182-T185 PolarHBondContact O-OG1 3.36Å | ||
| 183 | C | 92.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -32.7 | -177.9 | -69 | 0 | 0 | 0 | 0 | 113.2 | C128 G130 F131 T185 V186 I187 | C128-C183 VanDerWaalsContact C-SG 3.54Å; C128-C183 HydrophobicContact CB-CB 3.85Å; C128-C183 WeakPolarHBondContact CB-SG 3.34Å; C128-C183 WeakPolarHBondContact SG-CA 3.45Å; C128-C183 WeakPolarHBondContact SG-CB 3.45Å; C128-C183 CovalentContact SG-SG 2.03Å; C128-C183 PolarHBondContact SG-SG 3.27Å; G130-C183 WeakPolarHBondContact O-CB 3.33Å; G130-C183 PolarHBondContact O-N 2.77Å; G130-C183 PolarHBondContact O-SG 2.87Å; G130-C183 VanDerWaalsContact O-SG 3.32Å; F131-C183 PolarHBondContact O-N 3.44Å; C183-T185 VanDerWaalsContact C-N 3.25Å; C183-T185 PolarHBondContact O-N 2.89Å; C183-V186 PolarHBondContact O-N 3.38Å; C183-I187 HydrophobicContact CB-CD1 4.06Å; C183-I187 WeakPolarHBondContact O-CB 3.44Å; C183-I187 WeakPolarHBondContact O-CD1 3.42Å; C183-I187 WeakPolarHBondContact O-CG1 3.35Å; C183-I187 PolarHBondContact O-N 3.33Å |
| 184 | W | 92.7 | Very high | 84.7 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -39.7 | 175.4 | 177.1 | -117.5 | 0 | 0 | 0 | 112.2 | Q103 Q104 V107 F131 A182 V186 I187 Q188 | Q103-W184 HydrophobicContact CB-CH2 4.24Å; Q104-W184 HydrophobicContact CB-CH2 3.54Å; Q104-W184 HydrophobicContact CB-CZ2 3.38Å; Q104-W184 HydrophobicContact CB-CZ3 4.26Å; Q104-W184 HydrophobicContact CG-CD2 4.21Å; Q104-W184 HydrophobicContact CG-CE3 4.47Å; Q104-W184 HydrophobicContact CG-CH2 4Å; Q104-W184 HydrophobicContact CG-CZ2 3.61Å; Q104-W184 HydrophobicContact CG-CZ3 4.38Å; Q104-W184 VanDerWaalsContact N-CH2 3.34Å; V107-W184 HydrophobicContact CB-CE3 4.34Å; V107-W184 HydrophobicContact CB-CZ3 3.84Å; V107-W184 HydrophobicContact CG1-CE3 4.28Å; V107-W184 HydrophobicContact CG1-CZ3 4.21Å; V107-W184 HydrophobicContact CG2-CZ3 4.01Å; F131-W184 HydrophobicContact CD2-CB 4.49Å; F131-W184 HydrophobicContact CE2-CB 4.22Å; F131-W184 AromaticContact CE2-CE3 3.96Å; F131-W184 HydrophobicContact CE2-CE3 3.96Å; F131-W184 HydrophobicContact CZ-CB 4.34Å; F131-W184 HydrophobicContact CZ-CD2 4.23Å; F131-W184 AromaticContact CZ-CE3 3.93Å; F131-W184 HydrophobicContact CZ-CE3 3.93Å; F131-W184 HydrophobicContact CZ-CG 4.41Å; F131-W184 WeakPolarHBondContact O-CB 3.39Å; F131-W184 PolarHBondContact O-N 2.81Å; A182-W184 PolarHBondContact O-N 3.22Å; W184-V186 VanDerWaalsContact C-N 3.32Å; W184-V186 PolarHBondContact O-N 2.87Å; W184-I187 HydrophobicContact CZ3-CG2 4.45Å; W184-I187 PolarHBondContact O-N 2.94Å; W184-Q188 HydrophobicContact CD2-CB 4.33Å; W184-Q188 HydrophobicContact CH2-CB 3.92Å; W184-Q188 HydrophobicContact CZ2-CB 3.72Å; W184-Q188 HydrophobicContact CZ3-CB 4.35Å; W184-Q188 WeakPolarHBondContact O-CB 3.4Å; W184-Q188 VanDerWaalsContact O-CG 3.29Å; W184-Q188 WeakPolarHBondContact O-CG 3.32Å; W184-Q188 PolarHBondContact O-N 3.45Å |
| 185 | T | 91.9 | Very high | 86.7 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | -178 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | A182 C183 Q188 | A182-T185 HydrophobicContact CB-CG2 4.36Å; A182-T185 PolarHBondContact O-N 2.86Å; A182-T185 VanDerWaalsContact O-N 3.07Å; A182-T185 PolarHBondContact O-OG1 3.36Å; C183-T185 VanDerWaalsContact C-N 3.25Å; C183-T185 PolarHBondContact O-N 2.89Å; T185-Q188 WeakPolarHBondContact O-CG 3.47Å |
| 186 | V | 93.7 | Very high | 88.3 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.17 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.4 | -42.9 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | F126 C128 T181 C183 W184 R190 | F126-V186 HydrophobicContact CB-CB 4.46Å; F126-V186 HydrophobicContact CB-CG1 3.99Å; F126-V186 HydrophobicContact CD1-CG1 4.27Å; F126-V186 HydrophobicContact CG-CG1 4.24Å; C128-V186 HydrophobicContact CB-CG2 4.39Å; T181-V186 HydrophobicContact CG2-CG2 3.59Å; C183-V186 PolarHBondContact O-N 3.38Å; W184-V186 VanDerWaalsContact C-N 3.32Å; W184-V186 PolarHBondContact O-N 2.87Å; V186-R190 HydrophobicContact CG1-CG 4.46Å; V186-R190 VanDerWaalsContact O-CG 3.25Å; V186-R190 WeakPolarHBondContact O-CG 3.35Å; V186-R190 PolarHBondContact O-N 2.97Å |
| 187 | I | 94.2 | Very high | 89.8 | Confident | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | -179.2 | -68.5 | 165.3 | 0 | 0 | 0 | 110.7 | V107 V122 F126 C183 W184 E189 R190 L191 | V107-I187 HydrophobicContact CG1-CD1 4.29Å; V107-I187 HydrophobicContact CG1-CG2 3.97Å; V107-I187 HydrophobicContact CG2-CG2 4.12Å; V122-I187 HydrophobicContact CG1-CD1 4.07Å; F126-I187 HydrophobicContact CD2-CD1 4.41Å; F126-I187 HydrophobicContact CD2-CG1 3.86Å; F126-I187 HydrophobicContact CE2-CD1 4.44Å; F126-I187 HydrophobicContact CE2-CG1 3.82Å; C183-I187 HydrophobicContact CB-CD1 4.06Å; C183-I187 WeakPolarHBondContact O-CB 3.44Å; C183-I187 WeakPolarHBondContact O-CD1 3.42Å; C183-I187 WeakPolarHBondContact O-CG1 3.35Å; C183-I187 PolarHBondContact O-N 3.33Å; W184-I187 HydrophobicContact CZ3-CG2 4.45Å; W184-I187 PolarHBondContact O-N 2.94Å; I187-E189 VanDerWaalsContact C-N 3.32Å; I187-E189 PolarHBondContact O-N 2.98Å; I187-R190 PolarHBondContact O-N 3.41Å; I187-L191 HydrophobicContact CG2-CB 4.45Å; I187-L191 WeakPolarHBondContact O-CA 3.46Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 PolarHBondContact O-N 3.39Å |
| 188 | Q | 94.5 | Very high | 91.1 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | -177.8 | 71.2 | -176.1 | -15.6 | 0 | 0 | 112.2 | W184 T185 S192 | W184-Q188 HydrophobicContact CD2-CB 4.33Å; W184-Q188 HydrophobicContact CH2-CB 3.92Å; W184-Q188 HydrophobicContact CZ2-CB 3.72Å; W184-Q188 HydrophobicContact CZ3-CB 4.35Å; W184-Q188 WeakPolarHBondContact O-CB 3.4Å; W184-Q188 VanDerWaalsContact O-CG 3.29Å; W184-Q188 WeakPolarHBondContact O-CG 3.32Å; W184-Q188 PolarHBondContact O-N 3.45Å; T185-Q188 WeakPolarHBondContact O-CG 3.47Å; Q188-S192 WeakPolarHBondContact O-CB 3.25Å; Q188-S192 PolarHBondContact O-N 3.4Å; Q188-S192 PolarHBondContact O-OG 2.77Å |
| 189 | E | 93 | Very high | 92.2 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.1 | -45.3 | -179.9 | -173.1 | -173.7 | 173.2 | 0 | 0 | 110.6 | I187 S192 T193 | I187-E189 VanDerWaalsContact C-N 3.32Å; I187-E189 PolarHBondContact O-N 2.98Å; E189-S192 PolarHBondContact O-OG 3.01Å; E189-S192 VanDerWaalsContact O-OG 3.1Å; E189-T193 WeakPolarHBondContact O-CB 3.42Å; E189-T193 PolarHBondContact O-N 3.01Å; E189-T193 PolarHBondContact O-OG1 2.93Å |
| 190 | R | 93.9 | Very high | 93 | Very high | 170 Ų | 170 | 61.9 Ų | 61.9 | 64% | 0.642 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.2 | -41.4 | 178 | -64.2 | -64.4 | -177.3 | -176.9 | -1.7 | 111.9 | V186 I187 G194 | V186-R190 HydrophobicContact CG1-CG 4.46Å; V186-R190 VanDerWaalsContact O-CG 3.25Å; V186-R190 WeakPolarHBondContact O-CG 3.35Å; V186-R190 PolarHBondContact O-N 2.97Å; I187-R190 PolarHBondContact O-N 3.41Å; R190-G194 WeakPolarHBondContact O-CA 3.37Å; R190-G194 PolarHBondContact O-N 3.49Å |
| 191 | L | 94.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.8 | -50 | -178.5 | -176.2 | 61.7 | 0 | 0 | 0 | 110.6 | Q103 V107 I187 T193 G194 V195 | Q103-L191 HydrophobicContact CB-CD2 3.84Å; Q103-L191 HydrophobicContact CG-CD2 3.95Å; Q103-L191 HydrophobicContact CG-CG 4.34Å; V107-L191 HydrophobicContact CG2-CD2 3.66Å; I187-L191 HydrophobicContact CG2-CB 4.45Å; I187-L191 WeakPolarHBondContact O-CA 3.46Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 PolarHBondContact O-N 3.39Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.01Å; L191-G194 PolarHBondContact O-N 2.94Å; L191-G194 VanDerWaalsContact O-N 3.13Å; L191-V195 HydrophobicContact CD1-CG1 3.74Å; L191-V195 HydrophobicContact CG-CG1 4.22Å; L191-V195 WeakPolarHBondContact O-CG1 3.19Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.33Å |
| 192 | S | 93.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 179 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | Q188 E189 V195 R196 | Q188-S192 WeakPolarHBondContact O-CB 3.25Å; Q188-S192 PolarHBondContact O-N 3.4Å; Q188-S192 PolarHBondContact O-OG 2.77Å; E189-S192 PolarHBondContact O-OG 3.01Å; E189-S192 VanDerWaalsContact O-OG 3.1Å; S192-V195 WeakPolarHBondContact O-CG2 3.39Å; S192-R196 WeakPolarHBondContact O-CB 3.31Å; S192-R196 PolarHBondContact O-N 2.96Å |
| 193 | T | 94.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 60 Ų | 60 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -47 | 174 | -55.8 | 0 | 0 | 0 | 0 | 111 | E189 L191 R196 V197 | E189-T193 WeakPolarHBondContact O-CB 3.42Å; E189-T193 PolarHBondContact O-N 3.01Å; E189-T193 PolarHBondContact O-OG1 2.93Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.01Å; T193-R196 PolarHBondContact O-N 2.87Å; T193-V197 HydrophobicContact CG2-CG2 4.39Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.88Å |
| 194 | G | 95.1 | Very high | 94.9 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R190 L191 V197 T198 | R190-G194 WeakPolarHBondContact O-CA 3.37Å; R190-G194 PolarHBondContact O-N 3.49Å; L191-G194 PolarHBondContact O-N 2.94Å; L191-G194 VanDerWaalsContact O-N 3.13Å; G194-V197 PolarHBondContact O-N 3.43Å; G194-T198 WeakPolarHBondContact O-CB 3.3Å; G194-T198 PolarHBondContact O-N 3.48Å; G194-T198 PolarHBondContact O-OG1 2.87Å |
| 195 | V | 95.3 | Very high | 95 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.3 | C95 L98 L191 S192 G199 | C95-V195 HydrophobicContact CB-CB 4.46Å; C95-V195 WeakPolarHBondContact CB-O 3.29Å; L98-V195 HydrophobicContact CD2-CG1 4.26Å; L191-V195 HydrophobicContact CD1-CG1 3.74Å; L191-V195 HydrophobicContact CG-CG1 4.22Å; L191-V195 WeakPolarHBondContact O-CG1 3.19Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.33Å; S192-V195 WeakPolarHBondContact O-CG2 3.39Å; V195-G199 PolarHBondContact O-N 3.28Å |
| 196 | R | 95.1 | Very high | 95.2 | Very high | 177 Ų | 177 | 67.5 Ų | 67.5 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 177.3 | -172.9 | -180 | -65.7 | 177.2 | 0.2 | 111.6 | S192 T193 G199 A200 | S192-R196 WeakPolarHBondContact O-CB 3.31Å; S192-R196 PolarHBondContact O-N 2.96Å; T193-R196 PolarHBondContact O-N 2.87Å; R196-G199 PolarHBondContact O-N 3.35Å; R196-A200 WeakPolarHBondContact O-CB 3.4Å; R196-A200 PolarHBondContact O-N 3.5Å |
| 197 | V | 96.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 70 Ų | 70 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | T193 G194 A200 T201 | T193-V197 HydrophobicContact CG2-CG2 4.39Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.88Å; G194-V197 PolarHBondContact O-N 3.43Å; V197-A200 PolarHBondContact O-N 3.46Å; V197-T201 VanDerWaalsContact O-CB 3.26Å; V197-T201 WeakPolarHBondContact O-CB 3.37Å; V197-T201 PolarHBondContact O-N 3.28Å; V197-T201 PolarHBondContact O-OG1 2.95Å |
| 198 | T | 96 | Very high | 95.3 | Very high | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | G194 A200 T201 S202 | G194-T198 WeakPolarHBondContact O-CB 3.3Å; G194-T198 PolarHBondContact O-N 3.48Å; G194-T198 PolarHBondContact O-OG1 2.87Å; T198-A200 PolarHBondContact O-N 2.97Å; T198-T201 PolarHBondContact O-N 3.41Å; T198-S202 WeakPolarHBondContact O-CB 3.5Å; T198-S202 PolarHBondContact O-N 3.45Å; T198-S202 PolarHBondContact O-OG 2.86Å; T198-S202 VanDerWaalsContact O-OG 3.07Å |
| 199 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 R196 S202 L203 | V195-G199 PolarHBondContact O-N 3.28Å; R196-G199 PolarHBondContact O-N 3.35Å; G199-S202 PolarHBondContact O-N 2.82Å; G199-L203 WeakPolarHBondContact O-CB 3.41Å; G199-L203 PolarHBondContact O-N 3.35Å |
| 200 | A | 96.3 | Very high | 95.4 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R196 V197 T198 L203 F204 | R196-A200 WeakPolarHBondContact O-CB 3.4Å; R196-A200 PolarHBondContact O-N 3.5Å; V197-A200 PolarHBondContact O-N 3.46Å; T198-A200 PolarHBondContact O-N 2.97Å; A200-L203 PolarHBondContact O-N 2.93Å; A200-F204 PolarHBondContact O-N 3.42Å |
| 201 | T | 96.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | V197 T198 L203 F204 F205 | V197-T201 VanDerWaalsContact O-CB 3.26Å; V197-T201 WeakPolarHBondContact O-CB 3.37Å; V197-T201 PolarHBondContact O-N 3.28Å; V197-T201 PolarHBondContact O-OG1 2.95Å; T198-T201 PolarHBondContact O-N 3.41Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 2.9Å; T201-F204 WeakPolarHBondContact O-CB 3.4Å; T201-F204 PolarHBondContact O-N 2.96Å; T201-F205 HydrophobicContact CG2-CD2 3.76Å; T201-F205 HydrophobicContact CG2-CE2 3.48Å; T201-F205 VanDerWaalsContact CG2-CE2 3.48Å; T201-F205 WeakPolarHBondContact O-CD2 3.46Å; T201-F205 PolarHBondContact O-N 3.07Å |
| 202 | S | 96.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 61 Ų | 61 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 112 | T198 G199 F205 S206 | T198-S202 WeakPolarHBondContact O-CB 3.5Å; T198-S202 PolarHBondContact O-N 3.45Å; T198-S202 PolarHBondContact O-OG 2.86Å; T198-S202 VanDerWaalsContact O-OG 3.07Å; G199-S202 PolarHBondContact O-N 2.82Å; S202-F205 PolarHBondContact O-N 3.18Å; S202-S206 WeakPolarHBondContact O-CB 3.37Å; S202-S206 PolarHBondContact O-N 2.92Å |
| 203 | L | 96.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.8 | -175.1 | 63.7 | 0 | 0 | 0 | 111.3 | F89 A92 L96 G199 A200 T201 F205 S206 V207 | F89-L203 HydrophobicContact CD2-CD1 3.87Å; F89-L203 HydrophobicContact CE2-CD1 3.78Å; A92-L203 HydrophobicContact CB-CB 4.12Å; L96-L203 HydrophobicContact CD1-CD2 4.2Å; G199-L203 WeakPolarHBondContact O-CB 3.41Å; G199-L203 PolarHBondContact O-N 3.35Å; A200-L203 PolarHBondContact O-N 2.93Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 2.9Å; L203-F205 PolarHBondContact O-N 3.49Å; L203-S206 PolarHBondContact O-N 3.29Å; L203-S206 PolarHBondContact O-OG 3.38Å; L203-V207 PolarHBondContact O-N 2.82Å |
| 204 | F | 96.4 | Very high | 95.7 | Very high | 130 Ų | 130 | 60.8 Ų | 60.8 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.1 | -46.3 | 175.2 | 175.1 | -100.6 | 0 | 0 | 0 | 112.1 | A200 T201 S206 V207 I208 | A200-F204 PolarHBondContact O-N 3.42Å; T201-F204 WeakPolarHBondContact O-CB 3.4Å; T201-F204 PolarHBondContact O-N 2.96Å; F204-S206 VanDerWaalsContact C-N 3.34Å; F204-S206 PolarHBondContact O-N 2.87Å; F204-V207 PolarHBondContact O-N 3.11Å; F204-I208 HydrophobicContact CD1-CD1 3.98Å; F204-I208 HydrophobicContact CE1-CD1 3.35Å; F204-I208 HydrophobicContact CE1-CG1 4.42Å; F204-I208 HydrophobicContact CE2-CD1 4.41Å; F204-I208 HydrophobicContact CZ-CD1 3.61Å; F204-I208 HydrophobicContact CZ-CG1 4.46Å; F204-I208 PolarHBondContact O-N 3.32Å |
| 205 | F | 94.7 | Very high | 95.7 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 176.5 | -76.9 | -63.8 | 0 | 0 | 0 | 112.8 | T201 S202 L203 V207 I208 E209 | T201-F205 HydrophobicContact CG2-CD2 3.76Å; T201-F205 HydrophobicContact CG2-CE2 3.48Å; T201-F205 VanDerWaalsContact CG2-CE2 3.48Å; T201-F205 WeakPolarHBondContact O-CD2 3.46Å; T201-F205 PolarHBondContact O-N 3.07Å; S202-F205 PolarHBondContact O-N 3.18Å; L203-F205 PolarHBondContact O-N 3.49Å; F205-V207 VanDerWaalsContact C-N 3.25Å; F205-V207 PolarHBondContact O-N 3.49Å; F205-I208 PolarHBondContact O-N 3.31Å; F205-I208 VanDerWaalsContact O-N 3.14Å; F205-E209 WeakPolarHBondContact O-CB 3.26Å; F205-E209 PolarHBondContact O-N 3.34Å |
| 206 | S | 96 | Very high | 95.7 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -33.4 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 112.6 | F85 S202 L203 F204 E209 L210 | F85-S206 WeakPolarHBondContact CD2-O 3.37Å; S202-S206 WeakPolarHBondContact O-CB 3.37Å; S202-S206 PolarHBondContact O-N 2.92Å; L203-S206 PolarHBondContact O-N 3.29Å; L203-S206 PolarHBondContact O-OG 3.38Å; F204-S206 VanDerWaalsContact C-N 3.34Å; F204-S206 PolarHBondContact O-N 2.87Å; S206-E209 PolarHBondContact O-N 3.1Å; S206-L210 WeakPolarHBondContact O-CB 3.28Å; S206-L210 PolarHBondContact O-N 3.43Å |
| 207 | V | 94.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L203 F204 F205 E209 L210 L211 | L203-V207 PolarHBondContact O-N 2.82Å; F204-V207 PolarHBondContact O-N 3.11Å; F205-V207 VanDerWaalsContact C-N 3.25Å; F205-V207 PolarHBondContact O-N 3.49Å; V207-E209 VanDerWaalsContact C-N 3.29Å; V207-E209 PolarHBondContact O-N 3.23Å; V207-L210 PolarHBondContact O-N 2.91Å; V207-L211 WeakPolarHBondContact O-CG 3.42Å; V207-L211 PolarHBondContact O-N 3.32Å |
| 208 | I | 94.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 56 Ų | 56 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.4 | -66.6 | 175.9 | 0 | 0 | 0 | 110.5 | L15 F204 F205 L211 G212 | L15-I208 HydrophobicContact CD1-CG2 4.49Å; F204-I208 HydrophobicContact CD1-CD1 3.98Å; F204-I208 HydrophobicContact CE1-CD1 3.35Å; F204-I208 HydrophobicContact CE1-CG1 4.42Å; F204-I208 HydrophobicContact CE2-CD1 4.41Å; F204-I208 HydrophobicContact CZ-CD1 3.61Å; F204-I208 HydrophobicContact CZ-CG1 4.46Å; F204-I208 PolarHBondContact O-N 3.32Å; F205-I208 PolarHBondContact O-N 3.31Å; F205-I208 VanDerWaalsContact O-N 3.14Å; I208-L211 WeakPolarHBondContact O-CB 3.47Å; I208-L211 PolarHBondContact O-N 3.46Å; I208-G212 PolarHBondContact O-N 2.97Å |
| 209 | E | 94.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 178.5 | -175.4 | 164.5 | -152.8 | 0 | 0 | 111.8 | L81 L84 F85 Q88 F205 S206 V207 L211 G212 V213 | L81-E209 HydrophobicContact CD2-CG 4.28Å; L81-E209 WeakPolarHBondContact CD2-OE1 3.37Å; L84-E209 WeakPolarHBondContact CB-OE1 3.21Å; F85-E209 WeakPolarHBondContact CA-OE2 3.32Å; F85-E209 HydrophobicContact CB-CG 4.04Å; F85-E209 PolarHBondContact N-OE2 2.98Å; Q88-E209 PolarHBondContact OE1-OE2 3.46Å; Q88-E209 VanDerWaalsContact OE1-OE2 3.09Å; F205-E209 WeakPolarHBondContact O-CB 3.26Å; F205-E209 PolarHBondContact O-N 3.34Å; S206-E209 PolarHBondContact O-N 3.1Å; V207-E209 VanDerWaalsContact C-N 3.29Å; V207-E209 PolarHBondContact O-N 3.23Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 2.9Å; E209-G212 CarbonylContact O-C 3.53Å; E209-G212 WeakPolarHBondContact O-CA 3.33Å; E209-G212 PolarHBondContact O-N 2.73Å; E209-V213 WeakPolarHBondContact O-CG2 3.5Å; E209-V213 PolarHBondContact O-N 3.42Å |
| 210 | L | 95.7 | Very high | 95 | Very high | 81 Ų | 81 | 56 Ų | 56 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 174.2 | -175.8 | 62.8 | 0 | 0 | 0 | 111.9 | F85 S206 V207 G212 V213 W214 | F85-L210 HydrophobicContact CD2-CB 4.24Å; F85-L210 HydrophobicContact CE2-CB 4.18Å; F85-L210 HydrophobicContact CE2-CD2 4.49Å; F85-L210 HydrophobicContact CZ-CD1 4.42Å; S206-L210 WeakPolarHBondContact O-CB 3.28Å; S206-L210 PolarHBondContact O-N 3.43Å; V207-L210 PolarHBondContact O-N 2.91Å; L210-G212 VanDerWaalsContact C-N 3.32Å; L210-V213 PolarHBondContact O-N 3.29Å; L210-W214 WeakPolarHBondContact O-CB 3.24Å; L210-W214 PolarHBondContact O-N 3.1Å |
| 211 | L | 94.9 | Very high | 94.6 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 172 | -67 | 174.9 | 0 | 0 | 0 | 111.9 | V207 I208 E209 T215 | V207-L211 WeakPolarHBondContact O-CG 3.42Å; V207-L211 PolarHBondContact O-N 3.32Å; I208-L211 WeakPolarHBondContact O-CB 3.47Å; I208-L211 PolarHBondContact O-N 3.46Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 2.9Å; L211-T215 WeakPolarHBondContact O-CB 3.12Å; L211-T215 PolarHBondContact O-N 2.83Å; L211-T215 PolarHBondContact O-OG1 3.38Å |
| 212 | G | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I208 E209 L210 W214 T215 A216 | I208-G212 PolarHBondContact O-N 2.97Å; E209-G212 CarbonylContact O-C 3.53Å; E209-G212 WeakPolarHBondContact O-CA 3.33Å; E209-G212 PolarHBondContact O-N 2.73Å; L210-G212 VanDerWaalsContact C-N 3.32Å; G212-W214 PolarHBondContact O-N 2.84Å; G212-T215 PolarHBondContact O-N 3.19Å; G212-A216 WeakPolarHBondContact O-CB 3.35Å; G212-A216 PolarHBondContact O-N 3.24Å |
| 213 | V | 96.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I78 L81 F82 E209 L210 T215 A216 L217 | I78-V213 HydrophobicContact CG2-CG1 4.37Å; L81-V213 HydrophobicContact CB-CG2 3.62Å; L81-V213 HydrophobicContact CD1-CG2 4.34Å; F82-V213 HydrophobicContact CB-CG2 4.43Å; F82-V213 HydrophobicContact CD2-CG1 4.42Å; E209-V213 WeakPolarHBondContact O-CG2 3.5Å; E209-V213 PolarHBondContact O-N 3.42Å; L210-V213 PolarHBondContact O-N 3.29Å; V213-T215 VanDerWaalsContact C-N 3.34Å; V213-T215 PolarHBondContact O-N 3.49Å; V213-A216 PolarHBondContact O-N 3.1Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.45Å; V213-L217 WeakPolarHBondContact O-CB 3.46Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.14Å |
| 214 | W | 95.1 | Very high | 92.3 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.9 | 179.7 | 85.2 | 0 | 0 | 0 | 112.1 | L210 G212 L217 R218 | L210-W214 WeakPolarHBondContact O-CB 3.24Å; L210-W214 PolarHBondContact O-N 3.1Å; G212-W214 PolarHBondContact O-N 2.84Å; W214-L217 PolarHBondContact O-N 3.47Å; W214-R218 HydrophobicContact CD2-CG 4.23Å; W214-R218 HydrophobicContact CH2-CG 4.45Å; W214-R218 HydrophobicContact CZ2-CG 4.09Å; W214-R218 WeakPolarHBondContact O-CB 3.41Å; W214-R218 WeakPolarHBondContact O-CG 3.46Å; W214-R218 PolarHBondContact O-N 3.01Å |
| 215 | T | 94.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L3 L11 L12 L211 G212 V213 R218 Y219 | L3-T215 HydrophobicContact CD2-CG2 3.87Å; L11-T215 HydrophobicContact CB-CG2 4.44Å; L11-T215 HydrophobicContact CD2-CG2 3.68Å; L11-T215 WeakPolarHBondContact CD2-OG1 2.97Å; L12-T215 HydrophobicContact CD1-CG2 4.43Å; L12-T215 HydrophobicContact CD2-CG2 4.36Å; L12-T215 HydrophobicContact CG-CG2 4.08Å; L211-T215 WeakPolarHBondContact O-CB 3.12Å; L211-T215 PolarHBondContact O-N 2.83Å; L211-T215 PolarHBondContact O-OG1 3.38Å; G212-T215 PolarHBondContact O-N 3.19Å; V213-T215 VanDerWaalsContact C-N 3.34Å; V213-T215 PolarHBondContact O-N 3.49Å; T215-R218 PolarHBondContact O-N 3.25Å; T215-Y219 VanDerWaalsContact O-CB 3.26Å; T215-Y219 WeakPolarHBondContact O-CB 3.44Å; T215-Y219 PolarHBondContact O-N 3.22Å |
| 216 | A | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L12 L74 Y77 I78 G212 V213 R218 Y219 R220 | L12-A216 HydrophobicContact CD2-CB 3.87Å; L74-A216 HydrophobicContact CD1-CB 4.25Å; Y77-A216 HydrophobicContact CD1-CB 4.27Å; Y77-A216 HydrophobicContact CE1-CB 4.09Å; I78-A216 HydrophobicContact CD1-CB 3.97Å; I78-A216 HydrophobicContact CG1-CB 3.52Å; G212-A216 WeakPolarHBondContact O-CB 3.35Å; G212-A216 PolarHBondContact O-N 3.24Å; V213-A216 PolarHBondContact O-N 3.1Å; A216-R218 PolarHBondContact O-N 3.35Å; A216-Y219 PolarHBondContact O-N 2.98Å; A216-R220 WeakPolarHBondContact O-CB 3.37Å; A216-R220 PolarHBondContact O-N 3.16Å |
| 217 | L | 94 | Very high | 89.3 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.4 | -78.8 | 168.9 | 0 | 0 | 0 | 112.2 | I78 V213 W214 H221 | I78-L217 HydrophobicContact CD1-CD2 4.07Å; I78-L217 HydrophobicContact CD1-CG 4.24Å; I78-L217 HydrophobicContact CG2-CD2 3.87Å; I78-L217 HydrophobicContact CG2-CG 3.98Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.45Å; V213-L217 WeakPolarHBondContact O-CB 3.46Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.14Å; W214-L217 PolarHBondContact O-N 3.47Å; L217-H221 PolarHBondContact O-N 3.46Å; L217-H221 PolarHBondContact O-ND1 3.34Å |
| 218 | R | 92.5 | Very high | 88.1 | Confident | 143 Ų | 143 | 74.2 Ų | 74.2 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 175.1 | -76.7 | -72.2 | -170.9 | 177.5 | -0.8 | 111.2 | W214 T215 A216 R220 H221 Q222 | W214-R218 HydrophobicContact CD2-CG 4.23Å; W214-R218 HydrophobicContact CH2-CG 4.45Å; W214-R218 HydrophobicContact CZ2-CG 4.09Å; W214-R218 WeakPolarHBondContact O-CB 3.41Å; W214-R218 WeakPolarHBondContact O-CG 3.46Å; W214-R218 PolarHBondContact O-N 3.01Å; T215-R218 PolarHBondContact O-N 3.25Å; A216-R218 PolarHBondContact O-N 3.35Å; R218-R220 VanDerWaalsContact C-N 3.26Å; R218-R220 PolarHBondContact O-N 3.23Å; R218-H221 PolarHBondContact O-N 3.04Å; R218-H221 VanDerWaalsContact O-N 3.11Å; R218-Q222 WeakPolarHBondContact O-CG 3.37Å; R218-Q222 PolarHBondContact O-N 3.41Å |
| 219 | Y | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 179.6 | -177.7 | -117.1 | 0 | 0 | 0 | 112.3 | F5 K9 L12 A66 H69 L74 T215 A216 H221 Q222 | F5-Y219 HydrophobicContact CD2-CD2 4.19Å; F5-Y219 AromaticContact CD2-CE2 3.87Å; F5-Y219 HydrophobicContact CD2-CE2 3.87Å; F5-Y219 HydrophobicContact CE1-CE2 4.29Å; F5-Y219 HydrophobicContact CE2-CD2 4.22Å; F5-Y219 AromaticContact CE2-CE2 3.57Å; F5-Y219 HydrophobicContact CE2-CE2 3.57Å; F5-Y219 HydrophobicContact CG-CE2 4.38Å; F5-Y219 AromaticContact CZ-CE2 3.8Å; F5-Y219 HydrophobicContact CZ-CE2 3.8Å; K9-Y219 HydrophobicContact CB-CE2 3.74Å; K9-Y219 HydrophobicContact CG-CE2 4.4Å; L12-Y219 HydrophobicContact CD1-CD1 3.54Å; L12-Y219 HydrophobicContact CD1-CE1 4.29Å; L12-Y219 HydrophobicContact CD1-CG 3.69Å; A66-Y219 PolarHBondContact O-OH 3.17Å; H69-Y219 AromaticContact CD2-CE1 3.58Å; H69-Y219 AromaticContact CD2-CE2 3.76Å; H69-Y219 AromaticContact CD2-CZ 3.31Å; H69-Y219 PolarHBondContact CD2-OH 3.06Å; H69-Y219 PolarHBondContact NE2-O 3.28Å; L74-Y219 HydrophobicContact CD1-CD1 4.38Å; L74-Y219 HydrophobicContact CD2-CD1 3.71Å; L74-Y219 HydrophobicContact CD2-CE1 4.33Å; T215-Y219 VanDerWaalsContact O-CB 3.26Å; T215-Y219 WeakPolarHBondContact O-CB 3.44Å; T215-Y219 PolarHBondContact O-N 3.22Å; A216-Y219 PolarHBondContact O-N 2.98Å; Y219-H221 VanDerWaalsContact C-N 3.31Å; Y219-H221 PolarHBondContact O-N 3.04Å; Y219-Q222 PolarHBondContact O-N 2.99Å |
| 220 | R | 91.5 | Very high | 85.7 | Confident | 72 Ų | 72 | 82.7 Ų | 82.7 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 176.3 | -172.4 | -175.9 | 172.3 | -165.8 | 1 | 112.7 | Q71 L74 I78 A216 R218 Q222 | Q71-R220 PolarHBondContact NE2-O 3.43Å; Q71-R220 VanDerWaalsContact NE2-O 3.1Å; L74-R220 HydrophobicContact CD2-CB 3.55Å; L74-R220 HydrophobicContact CD2-CG 4.01Å; L74-R220 HydrophobicContact CG-CB 4.34Å; I78-R220 HydrophobicContact CD1-CB 4.44Å; A216-R220 WeakPolarHBondContact O-CB 3.37Å; A216-R220 PolarHBondContact O-N 3.16Å; R218-R220 VanDerWaalsContact C-N 3.26Å; R218-R220 PolarHBondContact O-N 3.23Å; R220-Q222 VanDerWaalsContact C-N 3.35Å |
| 221 | H | 89.3 | Confident | 84.3 | Confident | 145 Ų | 145 | 81.5 Ų | 81.5 | 67% | 0.671 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -83.2 | -8.7 | -178.6 | -65.6 | 116 | 0 | 0 | 0 | 113.7 | L217 R218 Y219 | L217-H221 PolarHBondContact O-N 3.46Å; L217-H221 PolarHBondContact O-ND1 3.34Å; R218-H221 PolarHBondContact O-N 3.04Å; R218-H221 VanDerWaalsContact O-N 3.11Å; Y219-H221 VanDerWaalsContact C-N 3.31Å; Y219-H221 PolarHBondContact O-N 3.04Å |
| 222 | Q | 86.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 23% | 0.229 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -81.4 | 129.5 | 174.4 | -70.3 | 173.3 | -36 | 0 | 0 | 109.6 | L3 F5 S8 H69 R218 Y219 R220 | L3-Q222 PolarHBondContact O-NE2 2.95Å; F5-Q222 HydrophobicContact CD2-CB 3.83Å; S8-Q222 PolarHBondContact OG-OE1 3.29Å; H69-Q222 PolarHBondContact CE1-O 3.15Å; H69-Q222 PolarHBondContact NE2-O 3.15Å; R218-Q222 WeakPolarHBondContact O-CG 3.37Å; R218-Q222 PolarHBondContact O-N 3.41Å; Y219-Q222 PolarHBondContact O-N 2.99Å; R220-Q222 VanDerWaalsContact C-N 3.35Å |
| 223 | R | 76.6 | Confident | 80.1 | Confident | 220 Ų | 220 | 94.6 Ų | 94.6 | 83% | 0.83 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 140.6 | 168.2 | -71.4 | -173.1 | -179.9 | 176.6 | -0.7 | 109.4 | P225 | R223-P225 WeakPolarHBondContact O-CD 3.16Š|
| 224 | D | 77.3 | Confident | 79.3 | Confident | 37 Ų | 37 | 99 Ų | 99 | 20% | 0.198 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 117.9 | 172.3 | -166.3 | -26.8 | 0 | 0 | 0 | 108.8 | F5 L226 L227 | F5-D224 HydrophobicContact CE2-CB 4.15Å; F5-D224 HydrophobicContact CZ-CB 3.85Å; D224-L226 PolarHBondContact O-N 3.42Å; D224-L226 VanDerWaalsContact O-N 3.14Å; D224-L226 WeakPolarHBondContact OD1-CB 3.13Å; D224-L226 PolarHBondContact OD1-N 3.25Å; D224-L227 HydrophobicContact CB-CD1 4.41Å; D224-L227 PolarHBondContact O-N 3.32Å; D224-L227 VanDerWaalsContact O-N 3.16Å |
| 225 | P | 75.7 | Confident | 78.5 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.2 | 179.8 | 28.9 | -36.4 | 0 | 0 | 0 | 113.4 | F5 R223 | F5-P225 HydrophobicContact CB-CG 4.46Å; F5-P225 VanDerWaalsContact CD1-CD 3.47Å; F5-P225 HydrophobicContact CD1-CG 3.96Å; F5-P225 HydrophobicContact CE1-CG 4.46Å; F5-P225 HydrophobicContact CG-CG 4.26Å; R223-P225 WeakPolarHBondContact O-CD 3.16Å |
| 226 | L | 75.5 | Confident | 77.6 | Confident | 153 Ų | 153 | 103.6 Ų | 103.6 | 80% | 0.801 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14.5 | 175.6 | -63 | 170.6 | 0 | 0 | 0 | 113.3 | D224 | D224-L226 PolarHBondContact O-N 3.42Å; D224-L226 VanDerWaalsContact O-N 3.14Å; D224-L226 WeakPolarHBondContact OD1-CB 3.13Å; D224-L226 PolarHBondContact OD1-N 3.25Å |
| 227 | L | 72.1 | Confident | 76.5 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -77.6 | 132.3 | 171.7 | -110 | 75.5 | 0 | 0 | 0 | 109.2 | D224 | D224-L227 HydrophobicContact CB-CD1 4.41Å; D224-L227 PolarHBondContact O-N 3.32Å; D224-L227 VanDerWaalsContact O-N 3.16Å |
| 228 | D | 70.6 | Confident | 75.5 | Confident | 94 Ų | 94 | 112.3 Ų | 112.3 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | trans | -56.8 | 124.8 | 172.4 | -174.6 | -19.9 | 0 | 0 | 0 | 108.5 | N230 S231 | D228-N230 PolarHBondContact O-N 2.92Å; D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 2.99Å; D228-S231 PolarHBondContact O-N 2.92Å; D228-S231 PolarHBondContact O-OG 2.92Å | ||
| 229 | P | 68.2 | Low | 74.3 | Confident | 112 Ų | 112 | 110.3 Ų | 110.3 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -19.7 | 178.1 | 23.2 | -34.3 | 0 | 0 | 0 | 113.1 | ||
| 230 | N | 70.7 | Confident | 73 | Confident | 130 Ų | 130 | 118.1 Ų | 118.1 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -2 | 178.5 | -56.1 | -45.7 | 0 | 0 | 0 | 113.9 | D228 V232 | D228-N230 PolarHBondContact O-N 2.92Å; D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 2.99Å; N230-V232 PolarHBondContact O-N 2.95Å |
| 231 | S | 66.3 | Low | 71.6 | Confident | 56 Ų | 56 | 121.7 Ų | 121.7 | 39% | 0.392 | 64% | 0.643 | S | S | . | * | trans | -72.1 | 96.2 | 172.4 | 64.6 | 0 | 0 | 0 | 0 | 109.1 | D228 L233 | D228-S231 PolarHBondContact O-N 2.92Å; D228-S231 PolarHBondContact O-OG 2.92Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.15Å; S231-L233 VanDerWaalsContact O-N 3.15Å | ||
| 232 | V | 55 | Low | 70.1 | Confident | 140 Ų | 140 | 119.8 Ų | 119.8 | 85% | 0.848 | 64% | 0.64 | S | S | * | * | trans | -75.2 | 85.2 | 164.5 | -83.1 | 0 | 0 | 0 | 0 | 108.8 | N230 | N230-V232 PolarHBondContact O-N 2.95Š| ||
| 233 | L | 46.7 | Very low | 68.6 | Low | 238 Ų | 238 | 126.2 Ų | 126.2 | 100% | 1.246 | 68% | 0.678 | S | S | * | * | trans | -143 | 0 | 160.4 | -108.8 | 121.7 | 0 | 0 | 0 | 110.1 | S231 | S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.15Å; S231-L233 VanDerWaalsContact O-N 3.15Å |
Retrieved 233 of 233 residues in 93.8 ms
(Link to these results)