| 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 | 50.8 | Low | 81.6 | Confident | 166 Ų | 166 | 85.3 Ų | 85.3 | 82% | 0.818 | 40% | 0.398 | S | S | * | . | 0 | 117.3 | 0 | -170.4 | 161.3 | 57.7 | 0 | 0 | 107.3 | F3 Q6 | M1-F3 PolarHBondContact O-N 2.72Å; M1-Q6 VanDerWaalsContact CG-NE2 3.28Å; M1-Q6 PolarHBondContact SD-NE2 3.36Å | |||
| 2 | N | 76.1 | Confident | 82.1 | Confident | 76 Ų | 76 | 82.2 Ų | 82.2 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | trans | -77.7 | 110.3 | -173.3 | -175.8 | -1.9 | 0 | 0 | 0 | 109.9 | D4 E5 Q6 | N2-D4 PolarHBondContact O-N 2.96Å; N2-D4 WeakPolarHBondContact OD1-CB 3.01Å; N2-D4 PolarHBondContact OD1-N 3.37Å; N2-D4 VanDerWaalsContact OD1-N 3.14Å; N2-E5 HydrophobicContact CB-CB 4.3Å; N2-E5 HydrophobicContact CB-CG 4.12Å; N2-E5 PolarHBondContact ND2-OE1 3.16Å; N2-E5 PolarHBondContact O-N 3.5Å; N2-Q6 PolarHBondContact O-N 3.19Å | ||
| 3 | F | 79.3 | Confident | 82.6 | Confident | 48 Ų | 48 | 79 Ų | 79 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -28.7 | -179 | -68.8 | -65.5 | 0 | 0 | 0 | 112.3 | M1 E5 Q6 I7 I125 L128 N129 | M1-F3 PolarHBondContact O-N 2.72Å; F3-E5 PolarHBondContact O-N 3.49Å; F3-Q6 PolarHBondContact O-N 3.27Å; F3-I7 HydrophobicContact CB-CD1 4.5Å; F3-I7 WeakPolarHBondContact O-CB 3.49Å; F3-I7 WeakPolarHBondContact O-CD1 3.34Å; F3-I7 WeakPolarHBondContact O-CG1 3.25Å; F3-I7 PolarHBondContact O-N 2.94Å; F3-I125 HydrophobicContact CB-CD1 4.49Å; F3-I125 HydrophobicContact CD1-CB 4.21Å; F3-I125 HydrophobicContact CD1-CD1 3.74Å; F3-I125 HydrophobicContact CD1-CG1 3.6Å; F3-I125 HydrophobicContact CD1-CG2 3.64Å; F3-I125 HydrophobicContact CD2-CG2 4.25Å; F3-I125 HydrophobicContact CE1-CB 4.15Å; F3-I125 HydrophobicContact CE1-CD1 4.41Å; F3-I125 HydrophobicContact CE1-CG1 3.76Å; F3-I125 HydrophobicContact CE1-CG2 3.69Å; F3-I125 HydrophobicContact CE2-CG2 4.3Å; F3-I125 HydrophobicContact CG-CD1 4.41Å; F3-I125 HydrophobicContact CG-CG2 3.93Å; F3-I125 HydrophobicContact CZ-CG2 4.02Å; F3-L128 HydrophobicContact CE1-CD2 4.33Å; F3-L128 HydrophobicContact CZ-CD2 4.14Å; F3-N129 WeakPolarHBondContact CE2-ND2 3.19Å; F3-N129 WeakPolarHBondContact CE2-OD1 3.45Å; F3-N129 WeakPolarHBondContact CZ-ND2 3.26Å |
| 4 | D | 82.6 | Confident | 82.9 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.1 | -73.5 | -29 | 0 | 0 | 0 | 112.1 | N2 I7 F8 K42 | N2-D4 PolarHBondContact O-N 2.96Å; N2-D4 WeakPolarHBondContact OD1-CB 3.01Å; N2-D4 PolarHBondContact OD1-N 3.37Å; N2-D4 VanDerWaalsContact OD1-N 3.14Å; D4-I7 PolarHBondContact O-N 2.81Å; D4-F8 VanDerWaalsContact O-CB 3.24Å; D4-F8 WeakPolarHBondContact O-CB 3.47Å; D4-F8 PolarHBondContact O-N 2.75Å; D4-K42 VanDerWaalsContact OD1-CE 3.3Å; D4-K42 WeakPolarHBondContact OD1-CE 3.39Å; D4-K42 IonicContact OD1-NZ 3.43Å; D4-K42 PolarHBondContact OD1-NZ 3.19Å |
| 5 | E | 85.7 | Confident | 83.1 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 175 | -75.4 | 164.2 | -153.3 | 0 | 0 | 111.6 | N2 F3 F8 Y9 | N2-E5 HydrophobicContact CB-CB 4.3Å; N2-E5 HydrophobicContact CB-CG 4.12Å; N2-E5 PolarHBondContact ND2-OE1 3.16Å; N2-E5 PolarHBondContact O-N 3.5Å; F3-E5 PolarHBondContact O-N 3.49Å; E5-F8 PolarHBondContact O-N 3.08Å; E5-Y9 WeakPolarHBondContact O-CB 3.41Å; E5-Y9 PolarHBondContact O-N 2.97Å |
| 6 | Q | 84.5 | Confident | 83.3 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.3 | -66.9 | -169.4 | -17.3 | 0 | 0 | 111.9 | M1 N2 F3 F8 Y9 Q10 | M1-Q6 VanDerWaalsContact CG-NE2 3.28Å; M1-Q6 PolarHBondContact SD-NE2 3.36Å; N2-Q6 PolarHBondContact O-N 3.19Å; F3-Q6 PolarHBondContact O-N 3.27Å; Q6-F8 VanDerWaalsContact C-N 3.33Å; Q6-F8 PolarHBondContact O-N 3.36Å; Q6-Y9 PolarHBondContact O-N 3.4Å; Q6-Q10 WeakPolarHBondContact O-CB 3.36Å; Q6-Q10 VanDerWaalsContact O-CG 3.32Å; Q6-Q10 WeakPolarHBondContact O-CG 3.41Å; Q6-Q10 PolarHBondContact O-N 3.07Å |
| 7 | I | 86.6 | Confident | 83.5 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.2 | -69.7 | 162.3 | 0 | 0 | 0 | 109.9 | F3 D4 Q10 K11 I38 M121 F122 I125 | F3-I7 HydrophobicContact CB-CD1 4.5Å; F3-I7 WeakPolarHBondContact O-CB 3.49Å; F3-I7 WeakPolarHBondContact O-CD1 3.34Å; F3-I7 WeakPolarHBondContact O-CG1 3.25Å; F3-I7 PolarHBondContact O-N 2.94Å; D4-I7 PolarHBondContact O-N 2.81Å; I7-Q10 PolarHBondContact O-N 2.99Å; I7-K11 WeakPolarHBondContact O-CB 2.81Å; I7-K11 PolarHBondContact O-N 3.46Å; I7-I38 HydrophobicContact CG2-CD1 3.79Å; I7-I38 HydrophobicContact CG2-CG1 4Å; I7-I38 HydrophobicContact CG2-CG2 3.71Å; I7-M121 HydrophobicContact CG1-CE 4.33Å; I7-F122 HydrophobicContact CD1-CE1 3.77Å; I7-F122 HydrophobicContact CD1-CE2 4.47Å; I7-F122 HydrophobicContact CD1-CZ 3.61Å; I7-F122 HydrophobicContact CG1-CE1 4.47Å; I7-F122 HydrophobicContact CG1-CE2 4.38Å; I7-F122 HydrophobicContact CG1-CZ 3.97Å; I7-F122 HydrophobicContact CG2-CZ 4.22Å; I7-I125 HydrophobicContact CD1-CD1 4.4Å; I7-I125 HydrophobicContact CG1-CD1 4.29Å |
| 8 | F | 88 | Confident | 83.6 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 177.5 | 178 | -96.7 | 0 | 0 | 0 | 112.3 | D4 E5 Q6 S12 | D4-F8 VanDerWaalsContact O-CB 3.24Å; D4-F8 WeakPolarHBondContact O-CB 3.47Å; D4-F8 PolarHBondContact O-N 2.75Å; E5-F8 PolarHBondContact O-N 3.08Å; Q6-F8 VanDerWaalsContact C-N 3.33Å; Q6-F8 PolarHBondContact O-N 3.36Å; F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.44Å; F8-S12 PolarHBondContact O-OG 3.32Å |
| 9 | Y | 88.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 52% | 0.518 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 176.8 | 176.2 | -95.6 | 0 | 0 | 0 | 111.3 | E5 Q6 S12 Q13 | E5-Y9 WeakPolarHBondContact O-CB 3.41Å; E5-Y9 PolarHBondContact O-N 2.97Å; Q6-Y9 PolarHBondContact O-N 3.4Å; Y9-S12 WeakPolarHBondContact O-CB 3.32Å; Y9-S12 PolarHBondContact O-N 3.11Å; Y9-Q13 HydrophobicContact CD1-CG 4.19Å; Y9-Q13 HydrophobicContact CE1-CG 3.73Å; Y9-Q13 HydrophobicContact CE2-CG 4.41Å; Y9-Q13 WeakPolarHBondContact O-CG 3.36Å; Y9-Q13 PolarHBondContact O-N 3.1Å |
| 10 | Q | 86.2 | Confident | 83.6 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | -179.6 | -68.9 | -62.1 | -26.7 | 0 | 0 | 112.1 | Q6 I7 S12 Q13 F14 M121 | Q6-Q10 WeakPolarHBondContact O-CB 3.36Å; Q6-Q10 VanDerWaalsContact O-CG 3.32Å; Q6-Q10 WeakPolarHBondContact O-CG 3.41Å; Q6-Q10 PolarHBondContact O-N 3.07Å; I7-Q10 PolarHBondContact O-N 2.99Å; Q10-S12 VanDerWaalsContact C-N 3.27Å; Q10-S12 PolarHBondContact O-N 3.25Å; Q10-Q13 PolarHBondContact O-N 3.44Å; Q10-Q13 VanDerWaalsContact O-N 3.13Å; Q10-F14 HydrophobicContact CB-CE2 4.11Å; Q10-F14 HydrophobicContact CB-CZ 4.26Å; Q10-F14 WeakPolarHBondContact O-CD2 3Å; Q10-F14 WeakPolarHBondContact O-CG 3.5Å; Q10-F14 PolarHBondContact O-N 3.37Å; Q10-M121 HydrophobicContact CB-CE 3.7Å; Q10-M121 HydrophobicContact CB-SD 3.93Å; Q10-M121 HydrophobicContact CG-CE 4Å; Q10-M121 HydrophobicContact CG-SD 3.53Å; Q10-M121 VanDerWaalsContact CG-SD 3.53Å |
| 11 | K | 89.1 | Confident | 83.3 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -50.7 | -51 | 169.6 | -179.7 | -167.4 | 172.1 | -171.2 | 0 | 110.6 | I7 Q13 F14 V15 F34 D35 I38 | I7-K11 WeakPolarHBondContact O-CB 2.81Å; I7-K11 PolarHBondContact O-N 3.46Å; K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.19Å; K11-F14 PolarHBondContact O-N 3.26Å; K11-V15 HydrophobicContact CG-CG2 4.44Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 3.42Å; K11-F34 HydrophobicContact CG-CB 3.99Å; K11-D35 VanDerWaalsContact CE-OD1 3.3Å; K11-D35 WeakPolarHBondContact CE-OD1 3.41Å; K11-D35 IonicContact NZ-OD1 2.66Å; K11-D35 PolarHBondContact NZ-OD1 3.45Å; K11-D35 IonicContact NZ-OD2 2.74Å; K11-D35 PolarHBondContact NZ-OD2 3.4Å; K11-I38 HydrophobicContact CB-CD1 3.81Å; K11-I38 HydrophobicContact CD-CD1 3.92Å; K11-I38 HydrophobicContact CG-CD1 3.92Å |
| 12 | S | 88 | Confident | 84.3 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | -179 | -59.6 | 0 | 0 | 0 | 0 | 112 | F8 Y9 Q10 R16 | F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.44Å; F8-S12 PolarHBondContact O-OG 3.32Å; Y9-S12 WeakPolarHBondContact O-CB 3.32Å; Y9-S12 PolarHBondContact O-N 3.11Å; Q10-S12 VanDerWaalsContact C-N 3.27Å; Q10-S12 PolarHBondContact O-N 3.25Å; S12-R16 WeakPolarHBondContact O-CB 3.4Å; S12-R16 PolarHBondContact O-N 3.41Å |
| 13 | Q | 88.8 | Confident | 84 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.5 | -65.8 | -50.7 | -47.5 | 0 | 0 | 112.2 | Y9 Q10 K11 R16 V17 | Y9-Q13 HydrophobicContact CD1-CG 4.19Å; Y9-Q13 HydrophobicContact CE1-CG 3.73Å; Y9-Q13 HydrophobicContact CE2-CG 4.41Å; Y9-Q13 WeakPolarHBondContact O-CG 3.36Å; Y9-Q13 PolarHBondContact O-N 3.1Å; Q10-Q13 PolarHBondContact O-N 3.44Å; Q10-Q13 VanDerWaalsContact O-N 3.13Å; K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.19Å; Q13-R16 PolarHBondContact O-N 2.97Å; Q13-V17 VanDerWaalsContact O-CG2 3.3Å; Q13-V17 WeakPolarHBondContact O-CG2 3.41Å; Q13-V17 PolarHBondContact O-N 3.36Å |
| 14 | F | 87.1 | Confident | 83.2 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 179.2 | -61.2 | -26.3 | 0 | 0 | 0 | 112.2 | Q10 K11 R16 V17 L18 F34 Q114 Q117 L118 | Q10-F14 HydrophobicContact CB-CE2 4.11Å; Q10-F14 HydrophobicContact CB-CZ 4.26Å; Q10-F14 WeakPolarHBondContact O-CD2 3Å; Q10-F14 WeakPolarHBondContact O-CG 3.5Å; Q10-F14 PolarHBondContact O-N 3.37Å; K11-F14 PolarHBondContact O-N 3.26Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 2.87Å; F14-V17 PolarHBondContact O-N 3.04Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.04Å; F14-L18 VanDerWaalsContact O-N 3.11Å; F14-F34 HydrophobicContact CB-CE1 4.17Å; F14-F34 HydrophobicContact CB-CE2 3.93Å; F14-F34 HydrophobicContact CB-CZ 3.64Å; F14-F34 HydrophobicContact CD2-CE1 4.24Å; F14-F34 HydrophobicContact CG-CZ 4.47Å; F14-Q114 HydrophobicContact CB-CB 4.17Å; F14-Q114 HydrophobicContact CB-CG 4.47Å; F14-Q114 HydrophobicContact CD1-CB 4.25Å; F14-Q114 HydrophobicContact CD1-CG 4.44Å; F14-Q114 HydrophobicContact CG-CB 4.18Å; F14-Q117 HydrophobicContact CE1-CB 3.84Å; F14-Q117 HydrophobicContact CZ-CB 3.59Å; F14-L118 HydrophobicContact CD2-CB 4.29Å; F14-L118 HydrophobicContact CE2-CB 3.7Å; F14-L118 HydrophobicContact CE2-CD1 4.06Å; F14-L118 HydrophobicContact CE2-CG 4.43Å |
| 15 | V | 85.8 | Confident | 82.3 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 173 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | K11 V17 L18 M19 R27 L30 E31 F34 | K11-V15 HydrophobicContact CG-CG2 4.44Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 3.42Å; V15-V17 PolarHBondContact O-N 3.24Å; V15-L18 PolarHBondContact O-N 2.9Å; V15-M19 HydrophobicContact CG1-CG 4.16Å; V15-M19 WeakPolarHBondContact O-CB 3.37Å; V15-M19 VanDerWaalsContact O-CG 3.26Å; V15-M19 WeakPolarHBondContact O-CG 3.21Å; V15-M19 PolarHBondContact O-N 3.41Å; V15-R27 HydrophobicContact CG1-CG 4.3Å; V15-L30 HydrophobicContact CB-CD2 4.39Å; V15-L30 HydrophobicContact CG1-CD2 4.31Å; V15-L30 HydrophobicContact CG2-CD2 4.35Å; V15-L30 HydrophobicContact CG2-CG 4.34Å; V15-E31 HydrophobicContact CG1-CG 4.09Å; V15-E31 HydrophobicContact CG2-CG 4.02Å; V15-F34 HydrophobicContact CG2-CD2 3.7Å; V15-F34 HydrophobicContact CG2-CE2 4.11Å |
| 16 | R | 86.6 | Confident | 82 | Confident | 147 Ų | 147 | 66.4 Ų | 66.4 | 56% | 0.555 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.4 | -46.5 | 178.8 | -170.5 | -179.7 | 78.9 | 169.3 | 4.8 | 112.3 | S12 Q13 F14 L18 M19 N20 | S12-R16 WeakPolarHBondContact O-CB 3.4Å; S12-R16 PolarHBondContact O-N 3.41Å; Q13-R16 PolarHBondContact O-N 2.97Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 2.87Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.02Å; R16-M19 PolarHBondContact O-N 3Å; R16-N20 VanDerWaalsContact O-CG 3.3Å; R16-N20 PolarHBondContact O-N 3.11Å; R16-N20 VanDerWaalsContact O-N 3.11Å; R16-N20 PolarHBondContact O-OD1 3.49Å |
| 17 | V | 86.8 | Confident | 82 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | -179.4 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | Q13 F14 V15 K110 Q114 | Q13-V17 VanDerWaalsContact O-CG2 3.3Å; Q13-V17 WeakPolarHBondContact O-CG2 3.41Å; Q13-V17 PolarHBondContact O-N 3.36Å; F14-V17 PolarHBondContact O-N 3.04Å; V15-V17 PolarHBondContact O-N 3.24Å; V17-K110 HydrophobicContact CG1-CD 4.5Å; V17-K110 HydrophobicContact CG1-CG 4.48Å; V17-Q114 HydrophobicContact CG1-CG 4.44Å |
| 18 | L | 84.1 | Confident | 81.9 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -78.2 | -32.6 | -179.9 | -68.6 | 171.2 | 0 | 0 | 0 | 112.7 | F14 V15 R16 N20 I21 F24 L30 F34 K110 F111 Q114 | F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.04Å; F14-L18 VanDerWaalsContact O-N 3.11Å; V15-L18 PolarHBondContact O-N 2.9Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.02Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.43Å; L18-I21 HydrophobicContact CD2-CD1 3.89Å; L18-I21 WeakPolarHBondContact O-CB 3.49Å; L18-I21 WeakPolarHBondContact O-CG1 3.43Å; L18-I21 PolarHBondContact O-N 3.33Å; L18-F24 HydrophobicContact CB-CD2 4.49Å; L18-L30 HydrophobicContact CB-CD2 3.54Å; L18-L30 HydrophobicContact CD1-CD1 3.67Å; L18-L30 HydrophobicContact CD1-CD2 3.81Å; L18-L30 HydrophobicContact CD1-CG 4.32Å; L18-L30 HydrophobicContact CG-CD2 4.31Å; L18-F34 HydrophobicContact CD1-CE2 3.84Å; L18-F34 HydrophobicContact CD1-CZ 3.83Å; L18-K110 HydrophobicContact CD2-CB 4.27Å; L18-K110 HydrophobicContact CD2-CG 3.98Å; L18-F111 HydrophobicContact CD1-CD2 4.02Å; L18-F111 HydrophobicContact CD2-CB 4.27Å; L18-Q114 HydrophobicContact CD1-CB 4.29Å; L18-Q114 HydrophobicContact CD1-CG 4.12Å; L18-Q114 HydrophobicContact CD2-CG 4.13Å; L18-Q114 HydrophobicContact CG-CG 3.99Å |
| 19 | M | 84.1 | Confident | 81.9 | Confident | 61 Ų | 61 | 75.3 Ų | 75.3 | 30% | 0.3 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.9 | -23.6 | 174 | -73.8 | -58 | -55.7 | 0 | 0 | 113.4 | V15 R16 I21 F24 R27 | V15-M19 HydrophobicContact CG1-CG 4.16Å; V15-M19 WeakPolarHBondContact O-CB 3.37Å; V15-M19 VanDerWaalsContact O-CG 3.26Å; V15-M19 WeakPolarHBondContact O-CG 3.21Å; V15-M19 PolarHBondContact O-N 3.41Å; R16-M19 PolarHBondContact O-N 3Å; M19-I21 PolarHBondContact O-N 3.08Å; M19-F24 HydrophobicContact SD-CD1 3.8Å; M19-F24 HydrophobicContact SD-CE1 4.36Å; M19-R27 HydrophobicContact CE-CB 3.83Å; M19-R27 HydrophobicContact CG-CB 4.42Å; M19-R27 HydrophobicContact CG-CG 4.3Å; M19-R27 VanDerWaalsContact SD-CA 3.52Å; M19-R27 HydrophobicContact SD-CB 3.57Å; M19-R27 VanDerWaalsContact SD-CB 3.57Å; M19-R27 HydrophobicContact SD-CG 4.08Å |
| 20 | N | 84.2 | Confident | 81.8 | Confident | 122 Ų | 122 | 69 Ų | 69 | 65% | 0.652 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -1.2 | 173.1 | -71.3 | -10.7 | 0 | 0 | 0 | 113.2 | R16 L18 | R16-N20 VanDerWaalsContact O-CG 3.3Å; R16-N20 PolarHBondContact O-N 3.11Å; R16-N20 VanDerWaalsContact O-N 3.11Å; R16-N20 PolarHBondContact O-OD1 3.49Å; L18-N20 VanDerWaalsContact C-N 3.27Å; L18-N20 PolarHBondContact O-N 3.43Å |
| 21 | I | 77.1 | Confident | 82 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -89.9 | 119.1 | 175.4 | -53.1 | 175.2 | 0 | 0 | 0 | 107.6 | L18 M19 S23 F24 N107 K110 | L18-I21 HydrophobicContact CD2-CD1 3.89Å; L18-I21 WeakPolarHBondContact O-CB 3.49Å; L18-I21 WeakPolarHBondContact O-CG1 3.43Å; L18-I21 PolarHBondContact O-N 3.33Å; M19-I21 PolarHBondContact O-N 3.08Å; I21-S23 WeakPolarHBondContact CG2-OG 3.32Å; I21-S23 PolarHBondContact O-N 3.24Å; I21-F24 WeakPolarHBondContact O-CB 3.43Å; I21-F24 PolarHBondContact O-N 3.16Å; I21-N107 HydrophobicContact CD1-CB 4.18Å; I21-N107 HydrophobicContact CG2-CB 4.25Å; I21-K110 HydrophobicContact CD1-CB 4.05Å; I21-K110 HydrophobicContact CD1-CG 3.95Å |
| 22 | P | 70.4 | Confident | 82.1 | Confident | 132 Ų | 132 | 73.5 Ų | 73.5 | 86% | 0.857 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.1 | -173.8 | -28.3 | 34.4 | 0 | 0 | 0 | 115.1 | F24 | P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 PolarHBondContact O-N 3.5Å |
| 23 | S | 69.7 | Low | 82.3 | Confident | 52 Ų | 52 | 72 Ų | 72 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.1 | -178 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | I21 T106 | I21-S23 WeakPolarHBondContact CG2-OG 3.32Å; I21-S23 PolarHBondContact O-N 3.24Å; S23-T106 WeakPolarHBondContact CB-OG1 3.34Å; S23-T106 PolarHBondContact OG-OG1 2.99Å |
| 24 | F | 64 | Low | 82.4 | Confident | 24 Ų | 24 | 70 Ų | 70 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -99 | 114.5 | 179.4 | -151.3 | -70.5 | 0 | 0 | 0 | 110.1 | L18 M19 I21 P22 L30 P103 I105 | L18-F24 HydrophobicContact CB-CD2 4.49Å; M19-F24 HydrophobicContact SD-CD1 3.8Å; M19-F24 HydrophobicContact SD-CE1 4.36Å; I21-F24 WeakPolarHBondContact O-CB 3.43Å; I21-F24 PolarHBondContact O-N 3.16Å; P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 PolarHBondContact O-N 3.5Å; F24-L30 HydrophobicContact CE1-CB 3.76Å; F24-L30 HydrophobicContact CE1-CD2 4.18Å; F24-L30 HydrophobicContact CE1-CG 4.42Å; F24-L30 HydrophobicContact CE2-CD1 4.14Å; F24-L30 HydrophobicContact CE2-CD2 4.25Å; F24-L30 HydrophobicContact CZ-CB 3.62Å; F24-L30 HydrophobicContact CZ-CD1 3.8Å; F24-L30 HydrophobicContact CZ-CD2 3.92Å; F24-L30 HydrophobicContact CZ-CG 3.98Å; F24-P103 HydrophobicContact CZ-CB 4.22Å; F24-P103 HydrophobicContact CZ-CG 4.14Å; F24-I105 HydrophobicContact CD2-CG2 3.81Å; F24-I105 HydrophobicContact CE2-CB 4.48Å; F24-I105 HydrophobicContact CE2-CG2 3.2Å; F24-I105 HydrophobicContact CZ-CG2 3.91Å | ||
| 25 | I | 62.6 | Low | 82.7 | Confident | 152 Ų | 152 | 73.4 Ų | 73.4 | 78% | 0.779 | 36% | 0.355 | S | S | * | . | trans | -103.4 | -18.7 | -169.5 | -53.9 | 177.1 | 0 | 0 | 0 | 112.1 | ||||
| 26 | E | 80 | Confident | 83 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | trans | -129.4 | 78.5 | -165.8 | -65.3 | -168.8 | -127.6 | 0 | 0 | 115.4 | K28 K29 L30 | E26-K28 PolarHBondContact O-N 3.49Å; E26-K28 VanDerWaalsContact O-N 3.12Å; E26-K29 HydrophobicContact CB-CB 4.19Å; E26-K29 HydrophobicContact CB-CD 4.19Å; E26-K29 HydrophobicContact CB-CG 4.19Å; E26-K29 PolarHBondContact O-N 3.11Å; E26-K29 IonicContact OE1-NZ 2.75Å; E26-K29 PolarHBondContact OE1-NZ 3.32Å; E26-K29 WeakPolarHBondContact OE2-CD 3.39Å; E26-K29 WeakPolarHBondContact OE2-CE 3.48Å; E26-K29 WeakPolarHBondContact OE2-CG 3.26Å; E26-K29 IonicContact OE2-NZ 2.81Å; E26-K29 PolarHBondContact OE2-NZ 3.45Å; E26-L30 PolarHBondContact O-N 3.37Å | ||
| 27 | R | 83.6 | Confident | 83.3 | Confident | 147 Ų | 147 | 68.1 Ų | 68.1 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -45 | -45.4 | 175.6 | -176.3 | 173.9 | 172.5 | 161.3 | -0.3 | 113.9 | V15 M19 K29 L30 E31 | V15-R27 HydrophobicContact CG1-CG 4.3Å; M19-R27 HydrophobicContact CE-CB 3.83Å; M19-R27 HydrophobicContact CG-CB 4.42Å; M19-R27 HydrophobicContact CG-CG 4.3Å; M19-R27 VanDerWaalsContact SD-CA 3.52Å; M19-R27 HydrophobicContact SD-CB 3.57Å; M19-R27 VanDerWaalsContact SD-CB 3.57Å; M19-R27 HydrophobicContact SD-CG 4.08Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 3.39Å; R27-L30 WeakPolarHBondContact O-CB 3.28Å; R27-L30 PolarHBondContact O-N 2.98Å; R27-L30 VanDerWaalsContact O-N 3.11Å; R27-E31 HydrophobicContact CG-CG 4.35Å; R27-E31 IonicContact CZ-OE1 2.93Å; R27-E31 IonicContact NE-OE1 2.64Å; R27-E31 PolarHBondContact NE-OE1 3.29Å; R27-E31 IonicContact NH2-OE1 2.74Å; R27-E31 PolarHBondContact NH2-OE1 3.43Å; R27-E31 PolarHBondContact O-N 2.93Å |
| 28 | K | 86 | Confident | 83.6 | Confident | 150 Ų | 150 | 66.8 Ų | 66.8 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | -177.8 | -172 | 176.4 | -176.9 | 176.5 | 0 | 112.7 | E26 K32 | E26-K28 PolarHBondContact O-N 3.49Å; E26-K28 VanDerWaalsContact O-N 3.12Å; K28-K32 WeakPolarHBondContact O-CB 3.36Å; K28-K32 VanDerWaalsContact O-CG 3.28Å; K28-K32 WeakPolarHBondContact O-CG 3.38Å; K28-K32 PolarHBondContact O-N 3.43Å; K28-K32 VanDerWaalsContact O-N 3.14Å |
| 29 | K | 87.4 | Confident | 84.1 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 176.1 | -74.1 | -173.9 | 177.9 | 150.5 | 0 | 111.1 | E26 R27 K32 Y33 P103 | E26-K29 HydrophobicContact CB-CB 4.19Å; E26-K29 HydrophobicContact CB-CD 4.19Å; E26-K29 HydrophobicContact CB-CG 4.19Å; E26-K29 PolarHBondContact O-N 3.11Å; E26-K29 IonicContact OE1-NZ 2.75Å; E26-K29 PolarHBondContact OE1-NZ 3.32Å; E26-K29 WeakPolarHBondContact OE2-CD 3.39Å; E26-K29 WeakPolarHBondContact OE2-CE 3.48Å; E26-K29 WeakPolarHBondContact OE2-CG 3.26Å; E26-K29 IonicContact OE2-NZ 2.81Å; E26-K29 PolarHBondContact OE2-NZ 3.45Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 3.39Å; K29-K32 PolarHBondContact O-N 2.92Å; K29-Y33 PolarHBondContact O-N 3.35Å; K29-P103 HydrophobicContact CB-CB 4.11Å |
| 30 | L | 87 | Confident | 84.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 177.6 | -172.5 | 60.8 | 0 | 0 | 0 | 112.7 | V15 L18 F24 E26 R27 K32 Y33 F34 P103 F111 | V15-L30 HydrophobicContact CB-CD2 4.39Å; V15-L30 HydrophobicContact CG1-CD2 4.31Å; V15-L30 HydrophobicContact CG2-CD2 4.35Å; V15-L30 HydrophobicContact CG2-CG 4.34Å; L18-L30 HydrophobicContact CB-CD2 3.54Å; L18-L30 HydrophobicContact CD1-CD1 3.67Å; L18-L30 HydrophobicContact CD1-CD2 3.81Å; L18-L30 HydrophobicContact CD1-CG 4.32Å; L18-L30 HydrophobicContact CG-CD2 4.31Å; F24-L30 HydrophobicContact CE1-CB 3.76Å; F24-L30 HydrophobicContact CE1-CD2 4.18Å; F24-L30 HydrophobicContact CE1-CG 4.42Å; F24-L30 HydrophobicContact CE2-CD1 4.14Å; F24-L30 HydrophobicContact CE2-CD2 4.25Å; F24-L30 HydrophobicContact CZ-CB 3.62Å; F24-L30 HydrophobicContact CZ-CD1 3.8Å; F24-L30 HydrophobicContact CZ-CD2 3.92Å; F24-L30 HydrophobicContact CZ-CG 3.98Å; E26-L30 PolarHBondContact O-N 3.37Å; R27-L30 WeakPolarHBondContact O-CB 3.28Å; R27-L30 PolarHBondContact O-N 2.98Å; R27-L30 VanDerWaalsContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.15Å; L30-Y33 WeakPolarHBondContact O-CB 3.04Å; L30-Y33 PolarHBondContact O-N 3.5Å; L30-F34 HydrophobicContact CD1-CD2 3.95Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.35Å; L30-F34 HydrophobicContact CD2-CE2 4.2Å; L30-F34 HydrophobicContact CG-CD2 3.9Å; L30-F34 HydrophobicContact CG-CE2 3.73Å; L30-F34 WeakPolarHBondContact O-CD2 3.3Å; L30-F34 PolarHBondContact O-N 3.45Å; L30-P103 HydrophobicContact CD1-CG 4.24Å; L30-F111 HydrophobicContact CD1-CD2 4.22Å; L30-F111 HydrophobicContact CD1-CE2 4Å |
| 31 | E | 89.3 | Confident | 85.1 | Confident | 57 Ų | 57 | 63 Ų | 63 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.9 | -74.1 | 175.6 | 172.9 | 0 | 0 | 110.6 | V15 R27 Y33 F34 D35 | V15-E31 HydrophobicContact CG1-CG 4.09Å; V15-E31 HydrophobicContact CG2-CG 4.02Å; R27-E31 HydrophobicContact CG-CG 4.35Å; R27-E31 IonicContact CZ-OE1 2.93Å; R27-E31 IonicContact NE-OE1 2.64Å; R27-E31 PolarHBondContact NE-OE1 3.29Å; R27-E31 IonicContact NH2-OE1 2.74Å; R27-E31 PolarHBondContact NH2-OE1 3.43Å; R27-E31 PolarHBondContact O-N 2.93Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.43Å; E31-F34 PolarHBondContact O-N 3.4Å; E31-D35 WeakPolarHBondContact O-CB 3.3Å; E31-D35 PolarHBondContact O-N 3.07Å; E31-D35 VanDerWaalsContact O-OD2 3.07Å |
| 32 | K | 91.4 | Very high | 85.8 | Confident | 132 Ų | 132 | 65 Ų | 65 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.4 | -41.6 | 174.5 | -77.1 | 179.9 | 174.6 | -165.9 | 0 | 113.2 | K28 K29 L30 D35 C36 | K28-K32 WeakPolarHBondContact O-CB 3.36Å; K28-K32 VanDerWaalsContact O-CG 3.28Å; K28-K32 WeakPolarHBondContact O-CG 3.38Å; K28-K32 PolarHBondContact O-N 3.43Å; K28-K32 VanDerWaalsContact O-N 3.14Å; K29-K32 PolarHBondContact O-N 2.92Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.15Å; K32-D35 PolarHBondContact O-N 3.39Å; K32-C36 WeakPolarHBondContact O-CB 3.28Å; K32-C36 PolarHBondContact O-N 2.9Å |
| 33 | Y | 91.6 | Very high | 87 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 176 | 167.2 | -96.7 | 0 | 0 | 0 | 111.1 | K29 L30 E31 D35 C36 V37 C100 I102 F111 T115 | K29-Y33 PolarHBondContact O-N 3.35Å; L30-Y33 WeakPolarHBondContact O-CB 3.04Å; L30-Y33 PolarHBondContact O-N 3.5Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.43Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.98Å; Y33-C36 WeakPolarHBondContact O-CB 3.46Å; Y33-C36 PolarHBondContact O-N 3.24Å; Y33-V37 HydrophobicContact CD1-CG2 4.45Å; Y33-V37 HydrophobicContact CD2-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.97Å; Y33-V37 HydrophobicContact CE2-CG2 3.62Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 3.14Å; Y33-C100 HydrophobicContact CD2-CB 4.09Å; Y33-C100 HydrophobicContact CE2-CB 4.13Å; Y33-I102 HydrophobicContact CE2-CG1 4.25Å; Y33-F111 AromaticContact CD1-CE2 3.62Å; Y33-F111 HydrophobicContact CD1-CE2 3.62Å; Y33-F111 AromaticContact CD1-CZ 3.68Å; Y33-F111 HydrophobicContact CD1-CZ 3.68Å; Y33-F111 HydrophobicContact CD2-CZ 4.05Å; Y33-F111 HydrophobicContact CE1-CE1 4.15Å; Y33-F111 AromaticContact CE1-CE2 3.47Å; Y33-F111 HydrophobicContact CE1-CE2 3.47Å; Y33-F111 VanDerWaalsContact CE1-CE2 3.47Å; Y33-F111 AromaticContact CE1-CZ 3.22Å; Y33-F111 HydrophobicContact CE1-CZ 3.22Å; Y33-F111 HydrophobicContact CE2-CE1 4.38Å; Y33-F111 AromaticContact CE2-CZ 3.64Å; Y33-F111 HydrophobicContact CE2-CZ 3.64Å; Y33-F111 HydrophobicContact CG-CE2 4.22Å; Y33-F111 HydrophobicContact CG-CZ 4.06Å; Y33-F111 AromaticContact CZ-CE1 3.83Å; Y33-F111 AromaticContact CZ-CE2 3.96Å; Y33-F111 AromaticContact CZ-CZ 3.18Å; Y33-F111 WeakPolarHBondContact OH-CZ 3.05Å; Y33-T115 WeakPolarHBondContact OH-CG2 3.27Å; Y33-T115 PolarHBondContact OH-OG1 2.89Å |
| 34 | F | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 179.4 | -77.1 | -61.4 | 0 | 0 | 0 | 112.4 | K11 F14 V15 L18 L30 E31 C36 V37 I38 Q114 L118 | K11-F34 HydrophobicContact CG-CB 3.99Å; F14-F34 HydrophobicContact CB-CE1 4.17Å; F14-F34 HydrophobicContact CB-CE2 3.93Å; F14-F34 HydrophobicContact CB-CZ 3.64Å; F14-F34 HydrophobicContact CD2-CE1 4.24Å; F14-F34 HydrophobicContact CG-CZ 4.47Å; V15-F34 HydrophobicContact CG2-CD2 3.7Å; V15-F34 HydrophobicContact CG2-CE2 4.11Å; L18-F34 HydrophobicContact CD1-CE2 3.84Å; L18-F34 HydrophobicContact CD1-CZ 3.83Å; L30-F34 HydrophobicContact CD1-CD2 3.95Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.35Å; L30-F34 HydrophobicContact CD2-CE2 4.2Å; L30-F34 HydrophobicContact CG-CD2 3.9Å; L30-F34 HydrophobicContact CG-CE2 3.73Å; L30-F34 WeakPolarHBondContact O-CD2 3.3Å; L30-F34 PolarHBondContact O-N 3.45Å; E31-F34 PolarHBondContact O-N 3.4Å; F34-C36 VanDerWaalsContact C-N 3.34Å; F34-V37 PolarHBondContact O-N 3.12Å; F34-I38 WeakPolarHBondContact O-CB 3.03Å; F34-I38 WeakPolarHBondContact O-CD1 3.43Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 2.04Å; F34-Q114 HydrophobicContact CZ-CB 4.15Å; F34-L118 HydrophobicContact CD1-CD2 3.92Å; F34-L118 HydrophobicContact CE1-CD2 4.43Å |
| 35 | D | 92.8 | Very high | 89.5 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 172.8 | -75.9 | -38.2 | 0 | 0 | 0 | 112 | K11 E31 K32 Y33 K39 | K11-D35 VanDerWaalsContact CE-OD1 3.3Å; K11-D35 WeakPolarHBondContact CE-OD1 3.41Å; K11-D35 IonicContact NZ-OD1 2.66Å; K11-D35 PolarHBondContact NZ-OD1 3.45Å; K11-D35 IonicContact NZ-OD2 2.74Å; K11-D35 PolarHBondContact NZ-OD2 3.4Å; E31-D35 WeakPolarHBondContact O-CB 3.3Å; E31-D35 PolarHBondContact O-N 3.07Å; E31-D35 VanDerWaalsContact O-OD2 3.07Å; K32-D35 PolarHBondContact O-N 3.39Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.98Å; D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 PolarHBondContact O-N 3.39Å |
| 36 | C | 93.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 55.7 Ų | 55.7 | 28% | 0.284 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | K32 Y33 F34 I38 K39 G40 C100 | K32-C36 WeakPolarHBondContact O-CB 3.28Å; K32-C36 PolarHBondContact O-N 2.9Å; Y33-C36 WeakPolarHBondContact O-CB 3.46Å; Y33-C36 PolarHBondContact O-N 3.24Å; F34-C36 VanDerWaalsContact C-N 3.34Å; C36-I38 PolarHBondContact O-N 3.49Å; C36-K39 WeakPolarHBondContact O-CB 3.47Å; C36-K39 PolarHBondContact O-N 2.92Å; C36-G40 PolarHBondContact O-N 2.86Å; C36-C100 HydrophobicContact CB-CB 3.79Å; C36-C100 WeakPolarHBondContact CB-SG 3.33Å; C36-C100 WeakPolarHBondContact SG-CA 3.44Å; C36-C100 WeakPolarHBondContact SG-CB 3.38Å; C36-C100 CovalentContact SG-SG 2.04Å; C36-C100 PolarHBondContact SG-SG 3.44Å |
| 37 | V | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | -178.5 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | Y33 F34 K39 G40 Y41 P97 C100 L118 | Y33-V37 HydrophobicContact CD1-CG2 4.45Å; Y33-V37 HydrophobicContact CD2-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.97Å; Y33-V37 HydrophobicContact CE2-CG2 3.62Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 3.14Å; F34-V37 PolarHBondContact O-N 3.12Å; V37-K39 VanDerWaalsContact C-N 3.34Å; V37-K39 PolarHBondContact O-N 3.18Å; V37-G40 PolarHBondContact O-N 2.86Å; V37-Y41 HydrophobicContact CG1-CD2 3.45Å; V37-Y41 VanDerWaalsContact CG1-CD2 3.45Å; V37-Y41 HydrophobicContact CG1-CE2 3.14Å; V37-Y41 HydrophobicContact CG1-CG 4.49Å; V37-Y41 WeakPolarHBondContact O-CD2 3.41Å; V37-Y41 PolarHBondContact O-N 3.27Å; V37-P97 HydrophobicContact CG1-CB 4.37Å; V37-C100 HydrophobicContact CG2-CB 3.87Å; V37-C100 PolarHBondContact N-SG 2.85Å; V37-C100 VanDerWaalsContact N-SG 3.4Å; V37-L118 HydrophobicContact CB-CD2 4.38Å; V37-L118 HydrophobicContact CG1-CD2 3.66Å |
| 38 | I | 93.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.9 | -74.7 | 166.3 | 0 | 0 | 0 | 110.7 | I7 K11 F34 C36 Y41 K42 L118 F122 | I7-I38 HydrophobicContact CG2-CD1 3.79Å; I7-I38 HydrophobicContact CG2-CG1 4Å; I7-I38 HydrophobicContact CG2-CG2 3.71Å; K11-I38 HydrophobicContact CB-CD1 3.81Å; K11-I38 HydrophobicContact CD-CD1 3.92Å; K11-I38 HydrophobicContact CG-CD1 3.92Å; F34-I38 WeakPolarHBondContact O-CB 3.03Å; F34-I38 WeakPolarHBondContact O-CD1 3.43Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 2.04Å; C36-I38 PolarHBondContact O-N 3.49Å; I38-Y41 PolarHBondContact O-N 3Å; I38-K42 HydrophobicContact CG2-CD 4.25Å; I38-K42 HydrophobicContact CG2-CG 4.43Å; I38-K42 WeakPolarHBondContact O-CB 3.36Å; I38-K42 WeakPolarHBondContact O-CG 3.11Å; I38-K42 PolarHBondContact O-N 3.49Å; I38-L118 HydrophobicContact CG1-CD1 4.1Å; I38-L118 HydrophobicContact CG1-CD2 3.87Å; I38-F122 HydrophobicContact CG1-CE2 4.4Å; I38-F122 HydrophobicContact CG2-CZ 4.27Å |
| 39 | K | 94.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 42 Ų | 42 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.8 | -50.6 | 174.7 | -172.7 | -172.8 | 178.8 | -166.2 | 0 | 110.2 | D35 C36 V37 Y41 K42 L43 E91 N95 | D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 PolarHBondContact O-N 3.39Å; C36-K39 WeakPolarHBondContact O-CB 3.47Å; C36-K39 PolarHBondContact O-N 2.92Å; V37-K39 VanDerWaalsContact C-N 3.34Å; V37-K39 PolarHBondContact O-N 3.18Å; K39-Y41 PolarHBondContact O-N 2.93Å; K39-K42 PolarHBondContact O-N 3.18Å; K39-L43 HydrophobicContact CG-CD1 4.5Å; K39-L43 WeakPolarHBondContact O-CG 3.39Å; K39-L43 PolarHBondContact O-N 3.4Å; K39-L43 VanDerWaalsContact O-N 3.11Å; K39-E91 WeakPolarHBondContact CE-OE1 3.39Å; K39-E91 IonicContact NZ-OE1 3.69Å; K39-E91 PolarHBondContact NZ-OE1 3.25Å; K39-N95 HydrophobicContact CD-CB 4.43Å; K39-N95 WeakPolarHBondContact CE-OD1 3.31Å; K39-N95 PolarHBondContact NZ-OD1 3.35Å |
| 40 | G | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C36 V37 K42 L43 Q44 L92 N95 | C36-G40 PolarHBondContact O-N 2.86Å; V37-G40 PolarHBondContact O-N 2.86Å; G40-K42 VanDerWaalsContact C-N 3.34Å; G40-K42 PolarHBondContact O-N 2.83Å; G40-L43 PolarHBondContact O-N 3.26Å; G40-L43 VanDerWaalsContact O-N 3.16Å; G40-Q44 PolarHBondContact O-N 3.4Å; G40-L92 WeakPolarHBondContact O-CD2 3.4Å; G40-N95 WeakPolarHBondContact CA-O 3.17Å |
| 41 | Y | 93.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 40 Ų | 40 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -32.4 | 178.8 | -72.1 | -41.7 | 0 | 0 | 0 | 113.8 | V37 I38 K39 L43 Q44 L45 P97 L118 E119 F122 | V37-Y41 HydrophobicContact CG1-CD2 3.45Å; V37-Y41 VanDerWaalsContact CG1-CD2 3.45Å; V37-Y41 HydrophobicContact CG1-CE2 3.14Å; V37-Y41 HydrophobicContact CG1-CG 4.49Å; V37-Y41 WeakPolarHBondContact O-CD2 3.41Å; V37-Y41 PolarHBondContact O-N 3.27Å; I38-Y41 PolarHBondContact O-N 3Å; K39-Y41 PolarHBondContact O-N 2.93Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; Y41-Q44 PolarHBondContact O-N 3.23Å; Y41-L45 VanDerWaalsContact O-CB 3.29Å; Y41-L45 WeakPolarHBondContact O-CB 3.33Å; Y41-L45 PolarHBondContact O-N 3.17Å; Y41-P97 HydrophobicContact CD1-CG 3.77Å; Y41-P97 HydrophobicContact CE1-CB 4.14Å; Y41-P97 HydrophobicContact CE1-CG 3.73Å; Y41-P97 HydrophobicContact CG-CG 4.29Å; Y41-L118 HydrophobicContact CD2-CD2 4.19Å; Y41-L118 HydrophobicContact CD2-CG 4.04Å; Y41-L118 HydrophobicContact CE2-CD2 4.22Å; Y41-L118 HydrophobicContact CE2-CG 4.12Å; Y41-E119 HydrophobicContact CE1-CB 4.34Å; Y41-E119 HydrophobicContact CE1-CG 3.98Å; Y41-E119 HydrophobicContact CE2-CB 4.13Å; Y41-F122 AromaticContact CD2-CD2 3.84Å; Y41-F122 HydrophobicContact CD2-CD2 3.84Å; Y41-F122 HydrophobicContact CD2-CE2 4.1Å; Y41-F122 AromaticContact CG-CD2 3.95Å; Y41-F122 HydrophobicContact CG-CD2 3.95Å; Y41-F122 HydrophobicContact CG-CE2 4.33Å; Y41-F122 HydrophobicContact CG-CG 4.21Å |
| 42 | K | 92.7 | Very high | 93.3 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 171.1 | -80.7 | -176 | 169.9 | -164.7 | 0 | 111.5 | D4 I38 K39 G40 L45 I46 F122 | D4-K42 VanDerWaalsContact OD1-CE 3.3Å; D4-K42 WeakPolarHBondContact OD1-CE 3.39Å; D4-K42 IonicContact OD1-NZ 3.43Å; D4-K42 PolarHBondContact OD1-NZ 3.19Å; I38-K42 HydrophobicContact CG2-CD 4.25Å; I38-K42 HydrophobicContact CG2-CG 4.43Å; I38-K42 WeakPolarHBondContact O-CB 3.36Å; I38-K42 WeakPolarHBondContact O-CG 3.11Å; I38-K42 PolarHBondContact O-N 3.49Å; K39-K42 PolarHBondContact O-N 3.18Å; G40-K42 VanDerWaalsContact C-N 3.34Å; G40-K42 PolarHBondContact O-N 2.83Å; K42-L45 WeakPolarHBondContact O-CB 3.32Å; K42-L45 PolarHBondContact O-N 3.11Å; K42-I46 VanDerWaalsContact O-CG1 3.27Å; K42-I46 WeakPolarHBondContact O-CG1 3.49Å; K42-I46 PolarHBondContact O-N 3.47Å; K42-F122 HydrophobicContact CG-CE1 3.78Å; K42-F122 HydrophobicContact CG-CZ 4.05Å |
| 43 | L | 94.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 176.8 | -64.8 | 168.3 | 0 | 0 | 0 | 111.8 | K39 G40 Y41 L45 I46 S47 E91 L92 N95 | K39-L43 HydrophobicContact CG-CD1 4.5Å; K39-L43 WeakPolarHBondContact O-CG 3.39Å; K39-L43 PolarHBondContact O-N 3.4Å; K39-L43 VanDerWaalsContact O-N 3.11Å; G40-L43 PolarHBondContact O-N 3.26Å; G40-L43 VanDerWaalsContact O-N 3.16Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.77Å; L43-I46 PolarHBondContact O-N 2.91Å; L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 3.22Å; L43-E91 HydrophobicContact CD1-CB 4Å; L43-E91 HydrophobicContact CD1-CG 3.72Å; L43-E91 HydrophobicContact CD2-CB 4.21Å; L43-E91 HydrophobicContact CD2-CG 4.31Å; L43-E91 WeakPolarHBondContact CD2-OE2 3.2Å; L43-L92 HydrophobicContact CB-CD1 4.25Å; L43-L92 HydrophobicContact CB-CD2 3.62Å; L43-L92 HydrophobicContact CB-CG 3.62Å; L43-L92 HydrophobicContact CD1-CD2 4.43Å; L43-L92 HydrophobicContact CD1-CG 4.5Å; L43-N95 HydrophobicContact CD1-CB 3.8Å |
| 44 | Q | 93.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 172.6 | -70.5 | -176.9 | -7.5 | 0 | 0 | 111.3 | G40 Y41 S47 N48 L92 H96 | G40-Q44 PolarHBondContact O-N 3.4Å; Y41-Q44 PolarHBondContact O-N 3.23Å; Q44-S47 PolarHBondContact O-N 2.98Å; Q44-N48 VanDerWaalsContact O-CB 3.29Å; Q44-N48 WeakPolarHBondContact O-CB 3.37Å; Q44-N48 PolarHBondContact O-N 3.28Å; Q44-N48 PolarHBondContact O-ND2 3.13Å; Q44-L92 HydrophobicContact CB-CD1 4.47Å; Q44-L92 HydrophobicContact CG-CD1 3.89Å; Q44-L92 HydrophobicContact CG-CD2 3.58Å; Q44-L92 HydrophobicContact CG-CG 4.41Å; Q44-H96 PolarHBondContact NE2-NE2 3.21Å; Q44-H96 VanDerWaalsContact NE2-NE2 3.18Å |
| 45 | L | 91.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 175.8 | 178.7 | 67.3 | 0 | 0 | 0 | 111.3 | Y41 K42 L43 S47 N48 L49 F122 I125 N126 | Y41-L45 VanDerWaalsContact O-CB 3.29Å; Y41-L45 WeakPolarHBondContact O-CB 3.33Å; Y41-L45 PolarHBondContact O-N 3.17Å; K42-L45 WeakPolarHBondContact O-CB 3.32Å; K42-L45 PolarHBondContact O-N 3.11Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 2.77Å; L45-S47 PolarHBondContact O-N 3.09Å; L45-N48 PolarHBondContact O-N 2.89Å; L45-L49 HydrophobicContact CD1-CD1 3.79Å; L45-L49 HydrophobicContact CD1-CD2 4.39Å; L45-L49 HydrophobicContact CD1-CG 3.88Å; L45-L49 HydrophobicContact CG-CD1 3.84Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.22Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.36Å; L45-L49 PolarHBondContact O-N 2.96Å; L45-F122 HydrophobicContact CB-CD1 4.36Å; L45-F122 HydrophobicContact CD2-CD1 4.23Å; L45-F122 HydrophobicContact CD2-CE1 4.48Å; L45-I125 HydrophobicContact CD1-CG2 4.14Å; L45-I125 HydrophobicContact CD2-CG2 3.74Å; L45-N126 VanDerWaalsContact CD1-CA 3.45Å; L45-N126 HydrophobicContact CD1-CB 3.53Å |
| 46 | I | 92.4 | Very high | 93.4 | Very high | 75 Ų | 75 | 37.1 Ų | 37.1 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 177.8 | -68.7 | 163.4 | 0 | 0 | 0 | 110.3 | K42 L43 N48 N50 A88 | K42-I46 VanDerWaalsContact O-CG1 3.27Å; K42-I46 WeakPolarHBondContact O-CG1 3.49Å; K42-I46 PolarHBondContact O-N 3.47Å; L43-I46 PolarHBondContact O-N 2.91Å; I46-N48 VanDerWaalsContact C-N 3.35Å; I46-N48 PolarHBondContact O-N 3.34Å; I46-N50 WeakPolarHBondContact O-CB 3.35Å; I46-N50 PolarHBondContact O-N 3.11Å; I46-N50 VanDerWaalsContact O-N 3.08Å; I46-N50 PolarHBondContact O-ND2 2.91Å; I46-A88 HydrophobicContact CB-CB 4.15Å; I46-A88 HydrophobicContact CG2-CB 3.83Å |
| 47 | S | 94.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | L43 Q44 L45 T51 K89 | L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 3.22Å; Q44-S47 PolarHBondContact O-N 2.98Å; L45-S47 PolarHBondContact O-N 3.09Å; S47-T51 WeakPolarHBondContact O-CB 3.17Å; S47-T51 PolarHBondContact O-N 3.27Å; S47-T51 PolarHBondContact O-OG1 2.88Å; S47-K89 WeakPolarHBondContact OG-CE 3.48Å; S47-K89 WeakPolarHBondContact OG-CG 3.24Å |
| 48 | N | 93.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.3 | -48.2 | -176.6 | -68.8 | -13.4 | 0 | 0 | 0 | 111.5 | Q44 L45 I46 N50 T51 E52 | Q44-N48 VanDerWaalsContact O-CB 3.29Å; Q44-N48 WeakPolarHBondContact O-CB 3.37Å; Q44-N48 PolarHBondContact O-N 3.28Å; Q44-N48 PolarHBondContact O-ND2 3.13Å; L45-N48 PolarHBondContact O-N 2.89Å; I46-N48 VanDerWaalsContact C-N 3.35Å; I46-N48 PolarHBondContact O-N 3.34Å; N48-N50 PolarHBondContact O-N 3Å; N48-T51 PolarHBondContact O-N 3.27Å; N48-E52 WeakPolarHBondContact O-CB 3.38Å; N48-E52 WeakPolarHBondContact O-CG 3.4Å; N48-E52 PolarHBondContact O-N 3.34Å |
| 49 | L | 93 | Very high | 92.6 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -50.4 | 179.2 | -72.6 | 179.6 | 0 | 0 | 0 | 111.5 | L45 T51 E52 F53 N126 N129 V130 | L45-L49 HydrophobicContact CD1-CD1 3.79Å; L45-L49 HydrophobicContact CD1-CD2 4.39Å; L45-L49 HydrophobicContact CD1-CG 3.88Å; L45-L49 HydrophobicContact CG-CD1 3.84Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.22Å; L45-L49 VanDerWaalsContact O-CG 3.23Å; L45-L49 WeakPolarHBondContact O-CG 3.36Å; L45-L49 PolarHBondContact O-N 2.96Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.47Å; L49-E52 PolarHBondContact O-N 2.98Å; L49-F53 HydrophobicContact CB-CE1 4.46Å; L49-F53 HydrophobicContact CB-CE2 4.19Å; L49-F53 HydrophobicContact CB-CZ 4.04Å; L49-F53 HydrophobicContact CD2-CE1 4.29Å; L49-F53 HydrophobicContact CD2-CZ 4.21Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD1 3.3Å; L49-F53 WeakPolarHBondContact O-CD2 3.29Å; L49-F53 WeakPolarHBondContact O-CG 3.38Å; L49-F53 PolarHBondContact O-N 2.87Å; L49-N126 VanDerWaalsContact CD2-OD1 3.31Å; L49-N126 WeakPolarHBondContact CD2-OD1 3.44Å; L49-N129 HydrophobicContact CD1-CB 4.04Å; L49-N129 HydrophobicContact CD2-CB 3.55Å; L49-N129 HydrophobicContact CG-CB 4.47Å; L49-V130 HydrophobicContact CD2-CG2 3.7Å |
| 50 | N | 93.8 | Very high | 92 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | -178.8 | -76.3 | -87.1 | 0 | 0 | 0 | 111.9 | I46 N48 F53 V54 F81 N84 A85 | I46-N50 WeakPolarHBondContact O-CB 3.35Å; I46-N50 PolarHBondContact O-N 3.11Å; I46-N50 VanDerWaalsContact O-N 3.08Å; I46-N50 PolarHBondContact O-ND2 2.91Å; N48-N50 PolarHBondContact O-N 3Å; N50-F53 PolarHBondContact O-N 3.25Å; N50-V54 WeakPolarHBondContact O-CG2 3.29Å; N50-V54 PolarHBondContact O-N 3.37Å; N50-V54 VanDerWaalsContact O-N 3.16Å; N50-F81 HydrophobicContact CB-CB 4.11Å; N50-F81 VanDerWaalsContact CB-O 3.3Å; N50-F81 WeakPolarHBondContact CB-O 3.46Å; N50-F81 WeakPolarHBondContact OD1-CA 3.39Å; N50-F81 WeakPolarHBondContact OD1-CD1 3.46Å; N50-N84 HydrophobicContact CB-CB 4.48Å; N50-N84 WeakPolarHBondContact OD1-CB 3.27Å; N50-A85 HydrophobicContact CB-CB 3.91Å |
| 51 | T | 95.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | S47 N48 L49 V54 K55 | S47-T51 WeakPolarHBondContact O-CB 3.17Å; S47-T51 PolarHBondContact O-N 3.27Å; S47-T51 PolarHBondContact O-OG1 2.88Å; N48-T51 PolarHBondContact O-N 3.27Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.47Å; T51-V54 PolarHBondContact O-N 3.35Å; T51-K55 WeakPolarHBondContact O-CG 3.33Å; T51-K55 PolarHBondContact O-N 3.45Å |
| 52 | E | 93.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.9 | -35.5 | 178.7 | -69.2 | -57.1 | 124.2 | 0 | 0 | 112.3 | N48 L49 V54 K55 I56 V130 | N48-E52 WeakPolarHBondContact O-CB 3.38Å; N48-E52 WeakPolarHBondContact O-CG 3.4Å; N48-E52 PolarHBondContact O-N 3.34Å; L49-E52 PolarHBondContact O-N 2.98Å; E52-V54 PolarHBondContact O-N 2.82Å; E52-K55 PolarHBondContact O-N 3.4Å; E52-K55 IonicContact OE1-NZ 3.78Å; E52-K55 PolarHBondContact OE1-NZ 3.5Å; E52-I56 WeakPolarHBondContact O-CG1 3.43Å; E52-I56 PolarHBondContact O-N 3.42Å; E52-V130 HydrophobicContact CB-CG1 4.29Å; E52-V130 HydrophobicContact CB-CG2 3.91Å; E52-V130 HydrophobicContact CG-CG2 4.21Å |
| 53 | F | 93 | Very high | 90.1 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 175.9 | -64.9 | -11.9 | 0 | 0 | 0 | 112 | L49 N50 I56 M57 F81 F133 | L49-F53 HydrophobicContact CB-CE1 4.46Å; L49-F53 HydrophobicContact CB-CE2 4.19Å; L49-F53 HydrophobicContact CB-CZ 4.04Å; L49-F53 HydrophobicContact CD2-CE1 4.29Å; L49-F53 HydrophobicContact CD2-CZ 4.21Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD1 3.3Å; L49-F53 WeakPolarHBondContact O-CD2 3.29Å; L49-F53 WeakPolarHBondContact O-CG 3.38Å; L49-F53 PolarHBondContact O-N 2.87Å; N50-F53 PolarHBondContact O-N 3.25Å; F53-I56 PolarHBondContact O-N 3.01Å; F53-M57 WeakPolarHBondContact O-CG 3.34Å; F53-M57 PolarHBondContact O-N 3.2Å; F53-F81 HydrophobicContact CB-CD2 3.79Å; F53-F81 HydrophobicContact CB-CE2 3.86Å; F53-F81 HydrophobicContact CB-CG 4.32Å; F53-F81 HydrophobicContact CB-CZ 4.43Å; F53-F81 HydrophobicContact CD2-CD1 4.37Å; F53-F81 HydrophobicContact CD2-CE1 4.06Å; F53-F81 HydrophobicContact CD2-CE2 4.3Å; F53-F81 HydrophobicContact CD2-CZ 4.03Å; F53-F133 HydrophobicContact CB-CD1 4.05Å; F53-F133 HydrophobicContact CB-CE1 3.65Å; F53-F133 HydrophobicContact CB-CE2 4.44Å; F53-F133 HydrophobicContact CB-CZ 3.87Å; F53-F133 HydrophobicContact CD1-CB 3.72Å; F53-F133 AromaticContact CD1-CD1 3.26Å; F53-F133 HydrophobicContact CD1-CD1 3.26Å; F53-F133 HydrophobicContact CD1-CD2 4.01Å; F53-F133 AromaticContact CD1-CE1 3.82Å; F53-F133 HydrophobicContact CD1-CE1 3.82Å; F53-F133 HydrophobicContact CD1-CE2 4.49Å; F53-F133 AromaticContact CD1-CG 3.37Å; F53-F133 HydrophobicContact CD1-CG 3.37Å; F53-F133 HydrophobicContact CD1-CZ 4.4Å; F53-F133 HydrophobicContact CD2-CD2 4.17Å; F53-F133 HydrophobicContact CD2-CE2 4.25Å; F53-F133 HydrophobicContact CD2-CG 4.35Å; F53-F133 HydrophobicContact CE1-CB 3.26Å; F53-F133 AromaticContact CE1-CD1 3.81Å; F53-F133 HydrophobicContact CE1-CD1 3.81Å; F53-F133 HydrophobicContact CE1-CD2 4.05Å; F53-F133 AromaticContact CE1-CG 3.43Å; F53-F133 HydrophobicContact CE1-CG 3.43Å; F53-F133 VanDerWaalsContact CE1-CG 3.43Å; F53-F133 HydrophobicContact CE2-CD2 4.21Å; F53-F133 HydrophobicContact CE2-CG 4.4Å; F53-F133 AromaticContact CG-CD1 3.73Å; F53-F133 HydrophobicContact CG-CD1 3.73Å; F53-F133 HydrophobicContact CG-CD2 4.08Å; F53-F133 AromaticContact CG-CE1 3.81Å; F53-F133 HydrophobicContact CG-CE1 3.81Å; F53-F133 HydrophobicContact CG-CE2 4.16Å; F53-F133 AromaticContact CG-CG 3.87Å; F53-F133 HydrophobicContact CG-CG 3.87Å; F53-F133 HydrophobicContact CG-CZ 4.03Å; F53-F133 HydrophobicContact CZ-CB 3.82Å; F53-F133 HydrophobicContact CZ-CD2 4.14Å; F53-F133 AromaticContact CZ-CG 3.97Å; F53-F133 HydrophobicContact CZ-CG 3.97Å |
| 54 | V | 91.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | N50 T51 E52 I56 M57 E58 F81 E82 | N50-V54 WeakPolarHBondContact O-CG2 3.29Å; N50-V54 PolarHBondContact O-N 3.37Å; N50-V54 VanDerWaalsContact O-N 3.16Å; T51-V54 PolarHBondContact O-N 3.35Å; E52-V54 PolarHBondContact O-N 2.82Å; V54-I56 VanDerWaalsContact C-N 3.32Å; V54-I56 PolarHBondContact O-N 3.31Å; V54-M57 PolarHBondContact O-N 2.94Å; V54-M57 VanDerWaalsContact O-N 3.14Å; V54-E58 HydrophobicContact CG1-CG 4.35Å; V54-E58 WeakPolarHBondContact O-CG 3.48Å; V54-E58 PolarHBondContact O-N 2.96Å; V54-F81 HydrophobicContact CG2-CB 3.61Å; V54-F81 HydrophobicContact CG2-CD2 4.45Å; V54-E82 HydrophobicContact CG1-CG 4.42Å; V54-E82 HydrophobicContact CG2-CG 3.87Å |
| 55 | K | 94 | Very high | 87.8 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.6 | -67.1 | 174.4 | -174.3 | 169.2 | 0 | 112.6 | T51 E52 E58 K59 | T51-K55 WeakPolarHBondContact O-CG 3.33Å; T51-K55 PolarHBondContact O-N 3.45Å; E52-K55 PolarHBondContact O-N 3.4Å; E52-K55 IonicContact OE1-NZ 3.78Å; E52-K55 PolarHBondContact OE1-NZ 3.5Å; K55-E58 PolarHBondContact O-N 3.16Å; K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 3.41Å |
| 56 | I | 89.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.8 | -73.2 | 162.9 | 0 | 0 | 0 | 110.1 | E52 F53 V54 K59 V60 V130 F133 E134 L137 | E52-I56 WeakPolarHBondContact O-CG1 3.43Å; E52-I56 PolarHBondContact O-N 3.42Å; F53-I56 PolarHBondContact O-N 3.01Å; V54-I56 VanDerWaalsContact C-N 3.32Å; V54-I56 PolarHBondContact O-N 3.31Å; I56-K59 PolarHBondContact O-N 2.59Å; I56-V60 WeakPolarHBondContact O-CB 3.48Å; I56-V60 WeakPolarHBondContact O-CG2 3.42Å; I56-V60 PolarHBondContact O-N 3.11Å; I56-V130 HydrophobicContact CD1-CG1 3.76Å; I56-F133 HydrophobicContact CB-CD1 4.49Å; I56-F133 HydrophobicContact CB-CE1 4.32Å; I56-F133 HydrophobicContact CD1-CD1 4.15Å; I56-F133 HydrophobicContact CG2-CD1 4.24Å; I56-F133 HydrophobicContact CG2-CE1 4.11Å; I56-E134 HydrophobicContact CD1-CB 3.97Å; I56-E134 HydrophobicContact CG2-CB 4.21Å; I56-E134 HydrophobicContact CG2-CG 4.07Å; I56-L137 HydrophobicContact CG2-CD2 3.78Å |
| 57 | M | 87.4 | Confident | 85.1 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 177.7 | -72.4 | -176.9 | 71.4 | 0 | 0 | 112.1 | F53 V54 K59 V60 E61 S74 I77 K78 F81 F133 L137 | F53-M57 WeakPolarHBondContact O-CG 3.34Å; F53-M57 PolarHBondContact O-N 3.2Å; V54-M57 PolarHBondContact O-N 2.94Å; V54-M57 VanDerWaalsContact O-N 3.14Å; M57-K59 PolarHBondContact O-N 2.88Å; M57-V60 PolarHBondContact O-N 3.46Å; M57-E61 WeakPolarHBondContact O-CB 3.35Å; M57-E61 VanDerWaalsContact O-CG 3.31Å; M57-E61 WeakPolarHBondContact O-CG 3.5Å; M57-E61 PolarHBondContact O-N 2.78Å; M57-S74 WeakPolarHBondContact CE-OG 3.32Å; M57-I77 HydrophobicContact CE-CB 4.15Å; M57-I77 HydrophobicContact CE-CG2 3.88Å; M57-I77 HydrophobicContact SD-CG2 3.83Å; M57-K78 HydrophobicContact CB-CD 4.07Å; M57-K78 HydrophobicContact CB-CG 4.07Å; M57-K78 HydrophobicContact CE-CG 3.83Å; M57-K78 HydrophobicContact SD-CG 3.83Å; M57-F81 HydrophobicContact SD-CD2 3.99Å; M57-F81 HydrophobicContact SD-CE2 3.68Å; M57-F133 HydrophobicContact CG-CE1 4.29Å; M57-F133 HydrophobicContact CG-CZ 4.16Å; M57-F133 HydrophobicContact SD-CZ 4.33Å; M57-L137 HydrophobicContact CG-CD2 4.13Å |
| 58 | E | 88.8 | Confident | 83.2 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.3 | -71.6 | 176.2 | 154.6 | 0 | 0 | 112.3 | V54 K55 E61 G62 K78 | V54-E58 HydrophobicContact CG1-CG 4.35Å; V54-E58 WeakPolarHBondContact O-CG 3.48Å; V54-E58 PolarHBondContact O-N 2.96Å; K55-E58 PolarHBondContact O-N 3.16Å; E58-E61 PolarHBondContact O-N 2.88Å; E58-G62 PolarHBondContact O-N 3.32Å; E58-K78 HydrophobicContact CG-CD 4.1Å |
| 59 | K | 87.6 | Confident | 81.4 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 175.9 | 179.2 | -173.4 | 169.4 | -165.3 | 0 | 110.8 | K55 I56 M57 G62 E63 | K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 3.41Å; I56-K59 PolarHBondContact O-N 2.59Å; M57-K59 PolarHBondContact O-N 2.88Å; K59-G62 PolarHBondContact O-N 2.89Å; K59-E63 WeakPolarHBondContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 2.88Å |
| 60 | V | 81.8 | Confident | 79.7 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 177.8 | 158.7 | 0 | 0 | 0 | 0 | 111.2 | I56 M57 G62 E63 Y64 L137 L138 I141 | I56-V60 WeakPolarHBondContact O-CB 3.48Å; I56-V60 WeakPolarHBondContact O-CG2 3.42Å; I56-V60 PolarHBondContact O-N 3.11Å; M57-V60 PolarHBondContact O-N 3.46Å; V60-G62 PolarHBondContact O-N 3.4Å; V60-E63 PolarHBondContact O-N 3.47Å; V60-E63 VanDerWaalsContact O-N 3.16Å; V60-Y64 HydrophobicContact CG1-CD2 4.04Å; V60-Y64 VanDerWaalsContact O-CD2 3.26Å; V60-Y64 WeakPolarHBondContact O-CD2 3.41Å; V60-Y64 PolarHBondContact O-N 3.33Å; V60-L137 HydrophobicContact CB-CD2 4.19Å; V60-L137 HydrophobicContact CG1-CD2 4.27Å; V60-L137 HydrophobicContact CG2-CD2 3.85Å; V60-L138 HydrophobicContact CG2-CD2 4.33Å; V60-I141 HydrophobicContact CB-CD1 4.38Å; V60-I141 HydrophobicContact CG1-CD1 3.26Å; V60-I141 HydrophobicContact CG1-CG1 4.34Å; V60-I141 HydrophobicContact CG2-CD1 4.22Å |
| 61 | E | 78.9 | Confident | 78.3 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 177.4 | -75.3 | 173.1 | 163.5 | 0 | 0 | 112 | M57 E58 Y64 A65 S74 K78 | M57-E61 WeakPolarHBondContact O-CB 3.35Å; M57-E61 VanDerWaalsContact O-CG 3.31Å; M57-E61 WeakPolarHBondContact O-CG 3.5Å; M57-E61 PolarHBondContact O-N 2.78Å; E58-E61 PolarHBondContact O-N 2.88Å; E61-Y64 CarbonylContact O-C 3.6Å; E61-Y64 PolarHBondContact O-N 3.35Å; E61-A65 WeakPolarHBondContact O-CA 3.47Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 2.85Å; E61-S74 WeakPolarHBondContact OE1-CB 3.29Å; E61-S74 PolarHBondContact OE1-OG 2.97Å; E61-K78 IonicContact OE1-NZ 3.19Å; E61-K78 WeakPolarHBondContact OE2-CE 3.39Å; E61-K78 IonicContact OE2-NZ 3.44Å; E61-K78 PolarHBondContact OE2-NZ 3.43Å |
| 62 | G | 82.4 | Confident | 76.9 | Confident | 54 Ų | 54 | 68 Ų | 68 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E58 K59 V60 Y64 | E58-G62 PolarHBondContact O-N 3.32Å; K59-G62 PolarHBondContact O-N 2.89Å; V60-G62 PolarHBondContact O-N 3.4Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; G62-Y64 PolarHBondContact O-N 3.47Å |
| 63 | E | 81.1 | Confident | 76.1 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -35.2 | 177.5 | -73.3 | 176.7 | -171.7 | 0 | 0 | 112.4 | K59 V60 | K59-E63 WeakPolarHBondContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 2.88Å; V60-E63 PolarHBondContact O-N 3.47Å; V60-E63 VanDerWaalsContact O-N 3.16Å |
| 64 | Y | 72.2 | Confident | 75.5 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 23.5 | -179 | -64.9 | -81.4 | 0 | 0 | 0 | 113.3 | V60 E61 G62 N66 H67 I141 I145 | V60-Y64 HydrophobicContact CG1-CD2 4.04Å; V60-Y64 VanDerWaalsContact O-CD2 3.26Å; V60-Y64 WeakPolarHBondContact O-CD2 3.41Å; V60-Y64 PolarHBondContact O-N 3.33Å; E61-Y64 CarbonylContact O-C 3.6Å; E61-Y64 PolarHBondContact O-N 3.35Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; G62-Y64 PolarHBondContact O-N 3.47Å; Y64-N66 PolarHBondContact O-N 3.17Å; Y64-N66 VanDerWaalsContact O-N 3.08Å; Y64-H67 WeakPolarHBondContact O-CA 3.42Å; Y64-H67 WeakPolarHBondContact O-CB 3.47Å; Y64-H67 PolarHBondContact O-N 3.29Å; Y64-H67 VanDerWaalsContact O-O 3.13Å; Y64-I141 HydrophobicContact CD1-CG2 4.31Å; Y64-I141 HydrophobicContact CD2-CD1 4.06Å; Y64-I141 HydrophobicContact CD2-CG2 4.35Å; Y64-I141 HydrophobicContact CE1-CG2 3.95Å; Y64-I141 HydrophobicContact CE2-CD1 3.77Å; Y64-I141 HydrophobicContact CE2-CG2 4.03Å; Y64-I141 HydrophobicContact CG-CG2 4.5Å; Y64-I145 HydrophobicContact CD1-CD1 4.21Å; Y64-I145 HydrophobicContact CE1-CD1 3.79Å |
| 65 | A | 67 | Low | 75.2 | Confident | 52 Ų | 52 | 74 Ų | 74 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E61 H67 | E61-A65 WeakPolarHBondContact O-CA 3.47Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 2.85Å; A65-H67 VanDerWaalsContact C-N 3.33Å |
| 66 | N | 67.5 | Low | 75 | Confident | 174 Ų | 174 | 75.1 Ų | 75.1 | 93% | 0.93 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.3 | 175.3 | -66.5 | -29.1 | 0 | 0 | 0 | 113.3 | Y64 | Y64-N66 PolarHBondContact O-N 3.17Å; Y64-N66 VanDerWaalsContact O-N 3.08Å |
| 67 | H | 59.6 | Low | 74.9 | Confident | 91 Ų | 91 | 77.5 Ų | 77.5 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 148.6 | 171.3 | -113.7 | -87 | 0 | 0 | 0 | 109.2 | Y64 A65 M69 | Y64-H67 WeakPolarHBondContact O-CA 3.42Å; Y64-H67 WeakPolarHBondContact O-CB 3.47Å; Y64-H67 PolarHBondContact O-N 3.29Å; Y64-H67 VanDerWaalsContact O-O 3.13Å; A65-H67 VanDerWaalsContact C-N 3.33Å; H67-M69 PolarHBondContact O-N 2.99Å |
| 68 | P | 55.3 | Low | 75.1 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 36.2 | 179.8 | 26.6 | -34.2 | 0 | 0 | 0 | 114.6 | ||
| 69 | M | 56.3 | Low | 75.3 | Confident | 36 Ų | 36 | 80 Ų | 80 | 18% | 0.177 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -26.3 | 170.8 | -88.9 | -170.4 | 161.9 | 0 | 0 | 113.7 | H67 S71 I141 K144 | H67-M69 PolarHBondContact O-N 2.99Å; M69-S71 PolarHBondContact O-N 2.86Å; M69-S71 PolarHBondContact O-OG 3.37Å; M69-I141 HydrophobicContact CE-CB 3.82Å; M69-I141 HydrophobicContact CE-CD1 4.46Å; M69-I141 HydrophobicContact CE-CG1 3.42Å; M69-I141 VanDerWaalsContact CE-CG1 3.42Å; M69-I141 HydrophobicContact CE-CG2 3.84Å; M69-I141 HydrophobicContact SD-CB 4.48Å; M69-I141 HydrophobicContact SD-CD1 4.26Å; M69-I141 HydrophobicContact SD-CG1 3.82Å; M69-I141 HydrophobicContact SD-CG2 4.13Å; M69-K144 HydrophobicContact CE-CD 4.12Å |
| 70 | N | 56.8 | Low | 75.6 | Confident | 112 Ų | 112 | 77.6 Ų | 77.6 | 60% | 0.599 | 43% | 0.431 | S | S | * | . | trans | -62.9 | 89.2 | 166.4 | -91.2 | -17.7 | 0 | 0 | 0 | 109.2 | ||||
| 71 | S | 63.7 | Low | 76.2 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | trans | -128.9 | 152.4 | 177.6 | 64.4 | 0 | 0 | 0 | 0 | 108.7 | M69 K73 S74 | M69-S71 PolarHBondContact O-N 2.86Å; M69-S71 PolarHBondContact O-OG 3.37Å; S71-K73 PolarHBondContact O-N 2.92Å; S71-K73 VanDerWaalsContact O-N 3.07Å; S71-S74 PolarHBondContact O-N 3.34Å | ||
| 72 | S | 67.2 | Low | 77.1 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 64% | 0.643 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -49.7 | -36.3 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | S74 S75 E76 | S72-S74 PolarHBondContact O-N 2.88Å; S72-S75 PolarHBondContact O-N 3.41Å; S72-E76 WeakPolarHBondContact O-CG 3.2Å; S72-E76 PolarHBondContact O-N 3.14Å |
| 73 | K | 77 | Confident | 77.8 | Confident | 142 Ų | 142 | 83.4 Ų | 83.4 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 179.6 | -167.6 | 172.8 | -175.9 | 178.8 | 0 | 113.6 | S71 E76 I77 | S71-K73 PolarHBondContact O-N 2.92Å; S71-K73 VanDerWaalsContact O-N 3.07Å; K73-E76 PolarHBondContact O-N 3.01Å; K73-I77 HydrophobicContact CG-CD1 4.13Å; K73-I77 VanDerWaalsContact O-CG1 3.3Å; K73-I77 WeakPolarHBondContact O-CG1 3.19Å; K73-I77 PolarHBondContact O-N 3.3Å |
| 74 | S | 79.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.119 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 179.4 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | M57 E61 S71 S72 E76 I77 K78 | M57-S74 WeakPolarHBondContact CE-OG 3.32Å; E61-S74 WeakPolarHBondContact OE1-CB 3.29Å; E61-S74 PolarHBondContact OE1-OG 2.97Å; S71-S74 PolarHBondContact O-N 3.34Å; S72-S74 PolarHBondContact O-N 2.88Å; S74-E76 PolarHBondContact O-N 2.93Å; S74-I77 PolarHBondContact O-N 3.49Å; S74-K78 WeakPolarHBondContact O-CG 3.49Å; S74-K78 PolarHBondContact O-N 3.3Å |
| 75 | S | 85.3 | Confident | 79.6 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.1 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | S72 K78 K79 | S72-S75 PolarHBondContact O-N 3.41Å; S75-K78 PolarHBondContact O-N 3.05Å; S75-K79 WeakPolarHBondContact O-CB 3.31Å; S75-K79 PolarHBondContact O-N 3.26Å |
| 76 | E | 88.5 | Confident | 81 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 175.8 | -72.6 | 170.8 | -163.1 | 0 | 0 | 112.4 | S72 K73 S74 K79 C80 | S72-E76 WeakPolarHBondContact O-CG 3.2Å; S72-E76 PolarHBondContact O-N 3.14Å; K73-E76 PolarHBondContact O-N 3.01Å; S74-E76 PolarHBondContact O-N 2.93Å; E76-K79 PolarHBondContact O-N 3.04Å; E76-C80 PolarHBondContact O-N 2.87Å |
| 77 | I | 87.7 | Confident | 82.4 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 177.6 | -68.7 | 166.8 | 0 | 0 | 0 | 110.9 | M57 K73 S74 K79 C80 F81 | M57-I77 HydrophobicContact CE-CB 4.15Å; M57-I77 HydrophobicContact CE-CG2 3.88Å; M57-I77 HydrophobicContact SD-CG2 3.83Å; K73-I77 HydrophobicContact CG-CD1 4.13Å; K73-I77 VanDerWaalsContact O-CG1 3.3Å; K73-I77 WeakPolarHBondContact O-CG1 3.19Å; K73-I77 PolarHBondContact O-N 3.3Å; S74-I77 PolarHBondContact O-N 3.49Å; I77-K79 VanDerWaalsContact C-N 3.32Å; I77-K79 PolarHBondContact O-N 3.5Å; I77-C80 VanDerWaalsContact O-CB 3.26Å; I77-C80 WeakPolarHBondContact O-CB 3.36Å; I77-C80 PolarHBondContact O-N 3.01Å; I77-C80 VanDerWaalsContact O-N 3.08Å; I77-F81 HydrophobicContact CG2-CD2 4.04Å; I77-F81 HydrophobicContact CG2-CE2 3.51Å; I77-F81 HydrophobicContact CG2-CZ 3.87Å; I77-F81 PolarHBondContact O-N 2.93Å |
| 78 | K | 91.6 | Very high | 84.1 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 175.8 | -73.5 | -170.9 | -61.8 | -178 | 0 | 111.2 | M57 E58 E61 S74 S75 C80 F81 E82 | M57-K78 HydrophobicContact CB-CD 4.07Å; M57-K78 HydrophobicContact CB-CG 4.07Å; M57-K78 HydrophobicContact CE-CG 3.83Å; M57-K78 HydrophobicContact SD-CG 3.83Å; E58-K78 HydrophobicContact CG-CD 4.1Å; E61-K78 IonicContact OE1-NZ 3.19Å; E61-K78 WeakPolarHBondContact OE2-CE 3.39Å; E61-K78 IonicContact OE2-NZ 3.44Å; E61-K78 PolarHBondContact OE2-NZ 3.43Å; S74-K78 WeakPolarHBondContact O-CG 3.49Å; S74-K78 PolarHBondContact O-N 3.3Å; S75-K78 PolarHBondContact O-N 3.05Å; K78-C80 VanDerWaalsContact C-N 3.26Å; K78-C80 PolarHBondContact O-N 3.27Å; K78-F81 WeakPolarHBondContact O-CB 3.4Å; K78-F81 PolarHBondContact O-N 2.74Å; K78-E82 WeakPolarHBondContact O-CG 3.34Å; K78-E82 PolarHBondContact O-N 3.48Å |
| 79 | K | 93.9 | Very high | 86 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.8 | -36.9 | 176.5 | -171.2 | 175.9 | -177.3 | 177.8 | 0 | 112.6 | S75 E76 I77 N83 | S75-K79 WeakPolarHBondContact O-CB 3.31Å; S75-K79 PolarHBondContact O-N 3.26Å; E76-K79 PolarHBondContact O-N 3.04Å; I77-K79 VanDerWaalsContact C-N 3.32Å; I77-K79 PolarHBondContact O-N 3.5Å; K79-N83 WeakPolarHBondContact O-CB 3.45Å; K79-N83 PolarHBondContact O-N 3.42Å; K79-N83 PolarHBondContact O-ND2 3.43Å; K79-N83 VanDerWaalsContact O-ND2 3.13Å |
| 80 | C | 94.2 | Very high | 87.8 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | E76 I77 K78 N83 N84 | E76-C80 PolarHBondContact O-N 2.87Å; I77-C80 VanDerWaalsContact O-CB 3.26Å; I77-C80 WeakPolarHBondContact O-CB 3.36Å; I77-C80 PolarHBondContact O-N 3.01Å; I77-C80 VanDerWaalsContact O-N 3.08Å; K78-C80 VanDerWaalsContact C-N 3.26Å; K78-C80 PolarHBondContact O-N 3.27Å; C80-N83 PolarHBondContact O-N 3.28Å; C80-N84 VanDerWaalsContact O-CG 3.26Å; C80-N84 PolarHBondContact O-N 3.36Å; C80-N84 PolarHBondContact O-ND2 3.49Å |
| 81 | F | 94.4 | Very high | 89.6 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.6 | -64.6 | -32.9 | 0 | 0 | 0 | 112.3 | N50 F53 V54 M57 I77 K78 N83 N84 A85 F133 | N50-F81 HydrophobicContact CB-CB 4.11Å; N50-F81 VanDerWaalsContact CB-O 3.3Å; N50-F81 WeakPolarHBondContact CB-O 3.46Å; N50-F81 WeakPolarHBondContact OD1-CA 3.39Å; N50-F81 WeakPolarHBondContact OD1-CD1 3.46Å; F53-F81 HydrophobicContact CB-CD2 3.79Å; F53-F81 HydrophobicContact CB-CE2 3.86Å; F53-F81 HydrophobicContact CB-CG 4.32Å; F53-F81 HydrophobicContact CB-CZ 4.43Å; F53-F81 HydrophobicContact CD2-CD1 4.37Å; F53-F81 HydrophobicContact CD2-CE1 4.06Å; F53-F81 HydrophobicContact CD2-CE2 4.3Å; F53-F81 HydrophobicContact CD2-CZ 4.03Å; V54-F81 HydrophobicContact CG2-CB 3.61Å; V54-F81 HydrophobicContact CG2-CD2 4.45Å; M57-F81 HydrophobicContact SD-CD2 3.99Å; M57-F81 HydrophobicContact SD-CE2 3.68Å; I77-F81 HydrophobicContact CG2-CD2 4.04Å; I77-F81 HydrophobicContact CG2-CE2 3.51Å; I77-F81 HydrophobicContact CG2-CZ 3.87Å; I77-F81 PolarHBondContact O-N 2.93Å; K78-F81 WeakPolarHBondContact O-CB 3.4Å; K78-F81 PolarHBondContact O-N 2.74Å; F81-N83 VanDerWaalsContact C-N 3.33Å; F81-N83 PolarHBondContact O-N 3.04Å; F81-N84 PolarHBondContact O-N 2.91Å; F81-A85 PolarHBondContact O-N 3.33Å; F81-F133 HydrophobicContact CE2-CE2 4.19Å; F81-F133 AromaticContact CE2-CZ 3.92Å; F81-F133 HydrophobicContact CE2-CZ 3.92Å; F81-F133 HydrophobicContact CZ-CE2 4.07Å; F81-F133 HydrophobicContact CZ-CZ 4.28Å |
| 82 | E | 97.2 | Very high | 91 | Very high | 88 Ų | 88 | 71.7 Ų | 71.7 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.3 | -47.9 | 175.5 | -69.3 | 170.4 | 162.9 | 0 | 0 | 111.6 | V54 K78 N84 A85 E86 | V54-E82 HydrophobicContact CG1-CG 4.42Å; V54-E82 HydrophobicContact CG2-CG 3.87Å; K78-E82 WeakPolarHBondContact O-CG 3.34Å; K78-E82 PolarHBondContact O-N 3.48Å; E82-N84 PolarHBondContact O-N 2.92Å; E82-A85 PolarHBondContact O-N 2.75Å; E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 2.77Å |
| 83 | N | 97 | Very high | 92.1 | Very high | 80 Ų | 80 | 75.2 Ų | 75.2 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178 | -74.2 | -27.7 | 0 | 0 | 0 | 112.1 | K79 C80 F81 A85 E86 N87 | K79-N83 WeakPolarHBondContact O-CB 3.45Å; K79-N83 PolarHBondContact O-N 3.42Å; K79-N83 PolarHBondContact O-ND2 3.43Å; K79-N83 VanDerWaalsContact O-ND2 3.13Å; C80-N83 PolarHBondContact O-N 3.28Å; F81-N83 VanDerWaalsContact C-N 3.33Å; F81-N83 PolarHBondContact O-N 3.04Å; N83-A85 VanDerWaalsContact C-N 3.34Å; N83-E86 PolarHBondContact O-N 2.87Å; N83-N87 VanDerWaalsContact O-CB 3.31Å; N83-N87 WeakPolarHBondContact O-CB 3.33Å; N83-N87 PolarHBondContact O-N 3.08Å; N83-N87 PolarHBondContact O-ND2 2.64Å |
| 84 | N | 95.8 | Very high | 92.6 | Very high | 64 Ų | 64 | 76 Ų | 76 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.7 | -71.6 | -22.5 | 0 | 0 | 0 | 111.6 | N50 C80 F81 E82 A88 | N50-N84 HydrophobicContact CB-CB 4.48Å; N50-N84 WeakPolarHBondContact OD1-CB 3.27Å; C80-N84 VanDerWaalsContact O-CG 3.26Å; C80-N84 PolarHBondContact O-N 3.36Å; C80-N84 PolarHBondContact O-ND2 3.49Å; F81-N84 PolarHBondContact O-N 2.91Å; E82-N84 PolarHBondContact O-N 2.92Å; N84-A88 WeakPolarHBondContact O-CB 3.44Å; N84-A88 PolarHBondContact O-N 2.74Å |
| 85 | A | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | N50 F81 E82 N83 N87 A88 K89 | N50-A85 HydrophobicContact CB-CB 3.91Å; F81-A85 PolarHBondContact O-N 3.33Å; E82-A85 PolarHBondContact O-N 2.75Å; N83-A85 VanDerWaalsContact C-N 3.34Å; A85-N87 PolarHBondContact O-N 2.9Å; A85-A88 PolarHBondContact O-N 3.24Å; A85-K89 VanDerWaalsContact O-CG 3.31Å; A85-K89 WeakPolarHBondContact O-CG 3.49Å; A85-K89 PolarHBondContact O-N 2.89Å |
| 86 | E | 96.7 | Very high | 93.5 | Very high | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 179.8 | -72 | -54.1 | 129.5 | 0 | 0 | 113.2 | E82 N83 K89 R90 | E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 2.77Å; N83-E86 PolarHBondContact O-N 2.87Å; E86-K89 WeakPolarHBondContact OE1-CD 3.35Å; E86-K89 IonicContact OE1-NZ 3.55Å; E86-K89 PolarHBondContact OE1-NZ 3.32Å; E86-R90 WeakPolarHBondContact O-CG 3.31Å; E86-R90 PolarHBondContact O-N 2.9Å; E86-R90 PolarHBondContact O-NE 3.49Å |
| 87 | N | 96.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 171.7 | -73.8 | -23.2 | 0 | 0 | 0 | 110.8 | N83 A85 K89 R90 E91 | N83-N87 VanDerWaalsContact O-CB 3.31Å; N83-N87 WeakPolarHBondContact O-CB 3.33Å; N83-N87 PolarHBondContact O-N 3.08Å; N83-N87 PolarHBondContact O-ND2 2.64Å; A85-N87 PolarHBondContact O-N 2.9Å; N87-K89 PolarHBondContact O-N 3.48Å; N87-R90 PolarHBondContact O-N 3.44Å; N87-R90 PolarHBondContact OD1-NH2 3.42Å; N87-E91 PolarHBondContact O-N 2.87Å |
| 88 | A | 95.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 75.2 Ų | 75.2 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I46 N84 A85 R90 E91 L92 | I46-A88 HydrophobicContact CB-CB 4.15Å; I46-A88 HydrophobicContact CG2-CB 3.83Å; N84-A88 WeakPolarHBondContact O-CB 3.44Å; N84-A88 PolarHBondContact O-N 2.74Å; A85-A88 PolarHBondContact O-N 3.24Å; A88-R90 VanDerWaalsContact C-N 3.32Å; A88-R90 PolarHBondContact O-N 3.14Å; A88-E91 PolarHBondContact O-N 3.39Å; A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 VanDerWaalsContact O-CG 3.29Å; A88-L92 WeakPolarHBondContact O-CG 3.3Å; A88-L92 PolarHBondContact O-N 3.16Å |
| 89 | K | 95 | Very high | 93.5 | Very high | 81 Ų | 81 | 78.4 Ų | 78.4 | 35% | 0.352 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 174.3 | -73.9 | 173.9 | -168 | 169.9 | 0 | 112.7 | S47 A85 E86 N87 L92 K93 | S47-K89 WeakPolarHBondContact OG-CE 3.48Å; S47-K89 WeakPolarHBondContact OG-CG 3.24Å; A85-K89 VanDerWaalsContact O-CG 3.31Å; A85-K89 WeakPolarHBondContact O-CG 3.49Å; A85-K89 PolarHBondContact O-N 2.89Å; E86-K89 WeakPolarHBondContact OE1-CD 3.35Å; E86-K89 IonicContact OE1-NZ 3.55Å; E86-K89 PolarHBondContact OE1-NZ 3.32Å; N87-K89 PolarHBondContact O-N 3.48Å; K89-L92 PolarHBondContact O-N 3.29Å; K89-K93 PolarHBondContact O-N 3.49Å |
| 90 | R | 94.3 | Very high | 93.3 | Very high | 144 Ų | 144 | 72.4 Ų | 72.4 | 54% | 0.543 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.6 | -81 | -178 | -85.3 | 159.1 | -8.3 | 111.2 | E86 N87 A88 L92 K93 | E86-R90 WeakPolarHBondContact O-CG 3.31Å; E86-R90 PolarHBondContact O-N 2.9Å; E86-R90 PolarHBondContact O-NE 3.49Å; N87-R90 PolarHBondContact O-N 3.44Å; N87-R90 PolarHBondContact OD1-NH2 3.42Å; A88-R90 VanDerWaalsContact C-N 3.32Å; A88-R90 PolarHBondContact O-N 3.14Å; R90-L92 VanDerWaalsContact C-N 3.27Å; R90-L92 PolarHBondContact O-N 3.27Å; R90-K93 WeakPolarHBondContact O-CB 3.5Å; R90-K93 PolarHBondContact O-N 3.29Å |
| 91 | E | 94.8 | Very high | 93 | Very high | 79 Ų | 79 | 74.6 Ų | 74.6 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.1 | -30.8 | 178.9 | -163.7 | 179 | 177.6 | 0 | 0 | 112.3 | K39 L43 N87 A88 K93 E94 N95 | K39-E91 WeakPolarHBondContact CE-OE1 3.39Å; K39-E91 IonicContact NZ-OE1 3.69Å; K39-E91 PolarHBondContact NZ-OE1 3.25Å; L43-E91 HydrophobicContact CD1-CB 4Å; L43-E91 HydrophobicContact CD1-CG 3.72Å; L43-E91 HydrophobicContact CD2-CB 4.21Å; L43-E91 HydrophobicContact CD2-CG 4.31Å; L43-E91 WeakPolarHBondContact CD2-OE2 3.2Å; N87-E91 PolarHBondContact O-N 2.87Å; A88-E91 PolarHBondContact O-N 3.39Å; E91-K93 VanDerWaalsContact C-N 3.29Å; E91-K93 PolarHBondContact O-N 3.44Å; E91-E94 PolarHBondContact O-N 3.38Å; E91-N95 WeakPolarHBondContact CG-ND2 3.16Å; E91-N95 WeakPolarHBondContact O-CB 3.43Å; E91-N95 PolarHBondContact O-N 3.18Å; E91-N95 PolarHBondContact O-ND2 3.29Å |
| 92 | L | 93.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 78.4 Ų | 78.4 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -29.3 | 175.4 | -84.7 | 167.3 | 0 | 0 | 0 | 114.4 | G40 L43 Q44 A88 K89 R90 E94 N95 H96 | G40-L92 WeakPolarHBondContact O-CD2 3.4Å; L43-L92 HydrophobicContact CB-CD1 4.25Å; L43-L92 HydrophobicContact CB-CD2 3.62Å; L43-L92 HydrophobicContact CB-CG 3.62Å; L43-L92 HydrophobicContact CD1-CD2 4.43Å; L43-L92 HydrophobicContact CD1-CG 4.5Å; Q44-L92 HydrophobicContact CB-CD1 4.47Å; Q44-L92 HydrophobicContact CG-CD1 3.89Å; Q44-L92 HydrophobicContact CG-CD2 3.58Å; Q44-L92 HydrophobicContact CG-CG 4.41Å; A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 VanDerWaalsContact O-CG 3.29Å; A88-L92 WeakPolarHBondContact O-CG 3.3Å; A88-L92 PolarHBondContact O-N 3.16Å; K89-L92 PolarHBondContact O-N 3.29Å; R90-L92 VanDerWaalsContact C-N 3.27Å; R90-L92 PolarHBondContact O-N 3.27Å; L92-E94 PolarHBondContact O-N 2.81Å; L92-N95 CarbonylContact O-C 3.4Å; L92-N95 PolarHBondContact O-N 3.04Å; L92-H96 WeakPolarHBondContact O-CA 3.35Å; L92-H96 WeakPolarHBondContact O-CB 3.3Å; L92-H96 PolarHBondContact O-N 2.98Å |
| 93 | K | 90.3 | Very high | 91.8 | Very high | 166 Ų | 166 | 74.7 Ų | 74.7 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.7 | -38.5 | 177.7 | -68.2 | -177.5 | 178.8 | -178.4 | 0 | 111.3 | K89 R90 E91 N99 | K89-K93 PolarHBondContact O-N 3.49Å; R90-K93 WeakPolarHBondContact O-CB 3.5Å; R90-K93 PolarHBondContact O-N 3.29Å; E91-K93 VanDerWaalsContact C-N 3.29Å; E91-K93 PolarHBondContact O-N 3.44Å; K93-N99 PolarHBondContact O-ND2 3.01Å |
| 94 | E | 87.9 | Confident | 90.8 | Very high | 158 Ų | 158 | 74.6 Ų | 74.6 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -89.8 | -33 | -179.8 | -63.8 | 175.7 | -177.1 | 0 | 0 | 112 | E91 L92 | E91-E94 PolarHBondContact O-N 3.38Å; L92-E94 PolarHBondContact O-N 2.81Å |
| 95 | N | 91.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -109.5 | 24.4 | -171 | -60.6 | -92.5 | 0 | 0 | 0 | 113.1 | K39 G40 L43 E91 L92 | K39-N95 HydrophobicContact CD-CB 4.43Å; K39-N95 WeakPolarHBondContact CE-OD1 3.31Å; K39-N95 PolarHBondContact NZ-OD1 3.35Å; G40-N95 WeakPolarHBondContact CA-O 3.17Å; L43-N95 HydrophobicContact CD1-CB 3.8Å; E91-N95 WeakPolarHBondContact CG-ND2 3.16Å; E91-N95 WeakPolarHBondContact O-CB 3.43Å; E91-N95 PolarHBondContact O-N 3.18Å; E91-N95 PolarHBondContact O-ND2 3.29Å; L92-N95 CarbonylContact O-C 3.4Å; L92-N95 PolarHBondContact O-N 3.04Å |
| 96 | H | 91.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | trans | -60.3 | 138.3 | 179.2 | -161.1 | -105.9 | 0 | 0 | 0 | 110.5 | Q44 L92 E98 N99 | Q44-H96 PolarHBondContact NE2-NE2 3.21Å; Q44-H96 VanDerWaalsContact NE2-NE2 3.18Å; L92-H96 WeakPolarHBondContact O-CA 3.35Å; L92-H96 WeakPolarHBondContact O-CB 3.3Å; L92-H96 PolarHBondContact O-N 2.98Å; H96-E98 VanDerWaalsContact CE1-CD 3.43Å; H96-E98 IonicContact CE1-OE1 2.59Å; H96-E98 IonicContact CE1-OE2 2.77Å; H96-E98 WeakPolarHBondContact ND1-CB 3.47Å; H96-E98 WeakPolarHBondContact ND1-CG 3.38Å; H96-E98 PolarHBondContact ND1-N 2.87Å; H96-E98 IonicContact ND1-OE2 2.78Å; H96-E98 PolarHBondContact ND1-OE2 3.49Å; H96-E98 PolarHBondContact O-N 2.69Å; H96-E98 VanDerWaalsContact O-N 3.07Å; H96-N99 WeakPolarHBondContact O-CB 3.17Å; H96-N99 PolarHBondContact O-N 3.41Å | ||
| 97 | P | 89.1 | Confident | 87.2 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -52.6 | -31.9 | 177.9 | -29.5 | 36 | 0 | 0 | 0 | 114.4 | V37 Y41 N99 C100 | V37-P97 HydrophobicContact CG1-CB 4.37Å; Y41-P97 HydrophobicContact CD1-CG 3.77Å; Y41-P97 HydrophobicContact CE1-CB 4.14Å; Y41-P97 HydrophobicContact CE1-CG 3.73Å; Y41-P97 HydrophobicContact CG-CG 4.29Å; P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.38Å; P97-C100 VanDerWaalsContact O-CB 3.27Å; P97-C100 WeakPolarHBondContact O-CB 3.38Å; P97-C100 PolarHBondContact O-N 2.98Å; P97-C100 PolarHBondContact O-SG 2.87Å |
| 98 | E | 88.3 | Confident | 86.5 | Confident | 164 Ų | 164 | 80 Ų | 80 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -69.1 | -23.9 | 177.9 | -64.4 | 173.5 | 173.2 | 0 | 0 | 113.4 | H96 C100 | H96-E98 VanDerWaalsContact CE1-CD 3.43Å; H96-E98 IonicContact CE1-OE1 2.59Å; H96-E98 IonicContact CE1-OE2 2.77Å; H96-E98 WeakPolarHBondContact ND1-CB 3.47Å; H96-E98 WeakPolarHBondContact ND1-CG 3.38Å; H96-E98 PolarHBondContact ND1-N 2.87Å; H96-E98 IonicContact ND1-OE2 2.78Å; H96-E98 PolarHBondContact ND1-OE2 3.49Å; H96-E98 PolarHBondContact O-N 2.69Å; H96-E98 VanDerWaalsContact O-N 3.07Å; E98-C100 PolarHBondContact O-N 3.4Å |
| 99 | N | 90.4 | Very high | 86.1 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 52% | 0.524 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -80.8 | -4.5 | 177.4 | -62.5 | -21.4 | 0 | 0 | 0 | 112.1 | K93 H96 P97 P101 | K93-N99 PolarHBondContact O-ND2 3.01Å; H96-N99 WeakPolarHBondContact O-CB 3.17Å; H96-N99 PolarHBondContact O-N 3.41Å; P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.38Å; N99-P101 WeakPolarHBondContact O-CD 3.41Å |
| 100 | C | 90.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.034 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -71.6 | 127.2 | -177.6 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | Y33 C36 V37 P97 E98 I102 | Y33-C100 HydrophobicContact CD2-CB 4.09Å; Y33-C100 HydrophobicContact CE2-CB 4.13Å; C36-C100 HydrophobicContact CB-CB 3.79Å; C36-C100 WeakPolarHBondContact CB-SG 3.33Å; C36-C100 WeakPolarHBondContact SG-CA 3.44Å; C36-C100 WeakPolarHBondContact SG-CB 3.38Å; C36-C100 CovalentContact SG-SG 2.04Å; C36-C100 PolarHBondContact SG-SG 3.44Å; V37-C100 HydrophobicContact CG2-CB 3.87Å; V37-C100 PolarHBondContact N-SG 2.85Å; V37-C100 VanDerWaalsContact N-SG 3.4Å; P97-C100 VanDerWaalsContact O-CB 3.27Å; P97-C100 WeakPolarHBondContact O-CB 3.38Å; P97-C100 PolarHBondContact O-N 2.98Å; P97-C100 PolarHBondContact O-SG 2.87Å; E98-C100 PolarHBondContact O-N 3.4Å; C100-I102 PolarHBondContact O-N 3.23Å |
| 101 | P | 87.5 | Confident | 85.3 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | trans | -60.9 | 113.2 | -179.8 | -24.1 | 33.7 | 0 | 0 | 0 | 111.9 | N99 | N99-P101 WeakPolarHBondContact O-CD 3.41Š| ||
| 102 | I | 85 | Confident | 84.9 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 60% | 0.595 | 43% | 0.426 | S | S | * | . | trans | -71.3 | 125.2 | 178.5 | -60.7 | 175 | 0 | 0 | 0 | 108.4 | Y33 C100 F111 | Y33-I102 HydrophobicContact CE2-CG1 4.25Å; C100-I102 PolarHBondContact O-N 3.23Å; I102-F111 HydrophobicContact CG2-CE1 3.82Å; I102-F111 HydrophobicContact CG2-CZ 3.88Å | ||
| 103 | P | 81.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 7% | 0.065 | 44% | 0.435 | C | S | . | . | trans | -63.4 | 148.8 | 175.6 | 26.1 | -32.4 | 0 | 0 | 0 | 110.5 | F24 K29 L30 I105 F111 | F24-P103 HydrophobicContact CZ-CB 4.22Å; F24-P103 HydrophobicContact CZ-CG 4.14Å; K29-P103 HydrophobicContact CB-CB 4.11Å; L30-P103 HydrophobicContact CD1-CG 4.24Å; P103-I105 HydrophobicContact CB-CG2 4.4Å; P103-I105 HydrophobicContact CG-CG2 4.13Å; P103-I105 WeakPolarHBondContact O-CG2 3.46Å; P103-I105 PolarHBondContact O-N 3.18Å; P103-I105 VanDerWaalsContact O-N 3.08Å; P103-F111 HydrophobicContact CG-CE2 3.85Å; P103-F111 HydrophobicContact CG-CZ 4.32Å | ||
| 104 | G | 75.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | trans | -60.6 | 113.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 105 | I | 70.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | trans | -135.6 | 138.7 | -176 | 57.3 | 173.3 | 0 | 0 | 0 | 111 | F24 P103 K108 F111 | F24-I105 HydrophobicContact CD2-CG2 3.81Å; F24-I105 HydrophobicContact CE2-CB 4.48Å; F24-I105 HydrophobicContact CE2-CG2 3.2Å; F24-I105 HydrophobicContact CZ-CG2 3.91Å; P103-I105 HydrophobicContact CB-CG2 4.4Å; P103-I105 HydrophobicContact CG-CG2 4.13Å; P103-I105 WeakPolarHBondContact O-CG2 3.46Å; P103-I105 PolarHBondContact O-N 3.18Å; P103-I105 VanDerWaalsContact O-N 3.08Å; I105-K108 HydrophobicContact CD1-CG 4.24Å; I105-K108 HydrophobicContact CG1-CG 4.12Å; I105-F111 HydrophobicContact CD1-CB 3.22Å; I105-F111 HydrophobicContact CD1-CD1 3.48Å; I105-F111 VanDerWaalsContact CD1-CD1 3.48Å; I105-F111 HydrophobicContact CD1-CD2 3.76Å; I105-F111 HydrophobicContact CD1-CE1 4.19Å; I105-F111 HydrophobicContact CD1-CE2 4.42Å; I105-F111 HydrophobicContact CD1-CG 3.21Å | ||
| 106 | T | 65.5 | Low | 84.6 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 66% | 0.656 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -84.5 | -36.4 | 170.6 | 48 | 0 | 0 | 0 | 0 | 111.7 | S23 K108 | S23-T106 WeakPolarHBondContact CB-OG1 3.34Å; S23-T106 PolarHBondContact OG-OG1 2.99Å; T106-K108 PolarHBondContact O-N 3.14Å; T106-K108 VanDerWaalsContact O-N 3.16Å |
| 107 | N | 77.1 | Confident | 84.6 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | trans | -91.6 | 67 | 180 | -162.8 | -22.2 | 0 | 0 | 0 | 112.5 | I21 K109 K110 F111 | I21-N107 HydrophobicContact CD1-CB 4.18Å; I21-N107 HydrophobicContact CG2-CB 4.25Å; N107-K109 VanDerWaalsContact C-N 3.26Å; N107-K109 PolarHBondContact O-N 2.95Å; N107-K110 PolarHBondContact O-N 3.16Å; N107-K110 PolarHBondContact OD1-N 3.44Å; N107-F111 PolarHBondContact O-N 3.41Å | ||
| 108 | K | 81.6 | Confident | 84.6 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -54 | -39.6 | 179.2 | -72.5 | -177.8 | 179.6 | -177.8 | 0 | 113 | I105 T106 K110 F111 I112 | I105-K108 HydrophobicContact CD1-CG 4.24Å; I105-K108 HydrophobicContact CG1-CG 4.12Å; T106-K108 PolarHBondContact O-N 3.14Å; T106-K108 VanDerWaalsContact O-N 3.16Å; K108-K110 PolarHBondContact O-N 2.94Å; K108-F111 PolarHBondContact O-N 3.36Å; K108-I112 WeakPolarHBondContact O-CD1 3.4Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.47Å; K108-I112 PolarHBondContact O-N 3.36Å |
| 109 | K | 86.9 | Confident | 84.6 | Confident | 169 Ų | 169 | 69.9 Ų | 69.9 | 74% | 0.735 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.3 | -49.8 | -177.9 | -174.6 | 177.4 | -179.6 | 178 | 0 | 111.9 | N107 F111 I112 V113 | N107-K109 VanDerWaalsContact C-N 3.26Å; N107-K109 PolarHBondContact O-N 2.95Å; K109-F111 VanDerWaalsContact C-N 3.33Å; K109-F111 PolarHBondContact O-N 2.97Å; K109-I112 PolarHBondContact O-N 3.34Å; K109-V113 WeakPolarHBondContact O-CG2 3.5Å; K109-V113 PolarHBondContact O-N 2.98Å; K109-V113 VanDerWaalsContact O-N 3.1Å |
| 110 | K | 86 | Confident | 84.7 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -178.6 | -168.3 | 66.5 | 175.7 | -174.7 | 0 | 111.5 | V17 L18 I21 N107 K108 V113 Q114 | V17-K110 HydrophobicContact CG1-CD 4.5Å; V17-K110 HydrophobicContact CG1-CG 4.48Å; L18-K110 HydrophobicContact CD2-CB 4.27Å; L18-K110 HydrophobicContact CD2-CG 3.98Å; I21-K110 HydrophobicContact CD1-CB 4.05Å; I21-K110 HydrophobicContact CD1-CG 3.95Å; N107-K110 PolarHBondContact O-N 3.16Å; N107-K110 PolarHBondContact OD1-N 3.44Å; K108-K110 PolarHBondContact O-N 2.94Å; K110-V113 PolarHBondContact O-N 3Å; K110-Q114 WeakPolarHBondContact O-CG 3.21Å; K110-Q114 PolarHBondContact O-N 3.45Å |
| 111 | F | 85.5 | Confident | 84.7 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 175.7 | 174.8 | -94.6 | 0 | 0 | 0 | 113.2 | L18 L30 Y33 I102 P103 I105 N107 K108 K109 V113 Q114 T115 | L18-F111 HydrophobicContact CD1-CD2 4.02Å; L18-F111 HydrophobicContact CD2-CB 4.27Å; L30-F111 HydrophobicContact CD1-CD2 4.22Å; L30-F111 HydrophobicContact CD1-CE2 4Å; Y33-F111 AromaticContact CD1-CE2 3.62Å; Y33-F111 HydrophobicContact CD1-CE2 3.62Å; Y33-F111 AromaticContact CD1-CZ 3.68Å; Y33-F111 HydrophobicContact CD1-CZ 3.68Å; Y33-F111 HydrophobicContact CD2-CZ 4.05Å; Y33-F111 HydrophobicContact CE1-CE1 4.15Å; Y33-F111 AromaticContact CE1-CE2 3.47Å; Y33-F111 HydrophobicContact CE1-CE2 3.47Å; Y33-F111 VanDerWaalsContact CE1-CE2 3.47Å; Y33-F111 AromaticContact CE1-CZ 3.22Å; Y33-F111 HydrophobicContact CE1-CZ 3.22Å; Y33-F111 HydrophobicContact CE2-CE1 4.38Å; Y33-F111 AromaticContact CE2-CZ 3.64Å; Y33-F111 HydrophobicContact CE2-CZ 3.64Å; Y33-F111 HydrophobicContact CG-CE2 4.22Å; Y33-F111 HydrophobicContact CG-CZ 4.06Å; Y33-F111 AromaticContact CZ-CE1 3.83Å; Y33-F111 AromaticContact CZ-CE2 3.96Å; Y33-F111 AromaticContact CZ-CZ 3.18Å; Y33-F111 WeakPolarHBondContact OH-CZ 3.05Å; I102-F111 HydrophobicContact CG2-CE1 3.82Å; I102-F111 HydrophobicContact CG2-CZ 3.88Å; P103-F111 HydrophobicContact CG-CE2 3.85Å; P103-F111 HydrophobicContact CG-CZ 4.32Å; I105-F111 HydrophobicContact CD1-CB 3.22Å; I105-F111 HydrophobicContact CD1-CD1 3.48Å; I105-F111 VanDerWaalsContact CD1-CD1 3.48Å; I105-F111 HydrophobicContact CD1-CD2 3.76Å; I105-F111 HydrophobicContact CD1-CE1 4.19Å; I105-F111 HydrophobicContact CD1-CE2 4.42Å; I105-F111 HydrophobicContact CD1-CG 3.21Å; N107-F111 PolarHBondContact O-N 3.41Å; K108-F111 PolarHBondContact O-N 3.36Å; K109-F111 VanDerWaalsContact C-N 3.33Å; K109-F111 PolarHBondContact O-N 2.97Å; F111-V113 VanDerWaalsContact C-N 3.32Å; F111-V113 PolarHBondContact O-N 3.31Å; F111-Q114 PolarHBondContact O-N 2.88Å; F111-T115 PolarHBondContact O-N 3.48Å; F111-T115 PolarHBondContact O-OG1 2.85Å; F111-T115 VanDerWaalsContact O-OG1 3.07Å |
| 112 | I | 87.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.5 | -70 | 164.3 | 0 | 0 | 0 | 110 | K108 K109 Q114 T115 Q116 | K108-I112 WeakPolarHBondContact O-CD1 3.4Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.47Å; K108-I112 PolarHBondContact O-N 3.36Å; K109-I112 PolarHBondContact O-N 3.34Å; I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 2.98Å; I112-T115 PolarHBondContact O-N 2.93Å; I112-T115 VanDerWaalsContact O-N 3.16Å; I112-Q116 HydrophobicContact CG2-CG 4.27Å; I112-Q116 WeakPolarHBondContact O-CG 3.38Å; I112-Q116 PolarHBondContact O-N 3.39Å |
| 113 | V | 90.6 | Very high | 85.1 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | K109 K110 F111 Q116 Q117 | K109-V113 WeakPolarHBondContact O-CG2 3.5Å; K109-V113 PolarHBondContact O-N 2.98Å; K109-V113 VanDerWaalsContact O-N 3.1Å; K110-V113 PolarHBondContact O-N 3Å; F111-V113 VanDerWaalsContact C-N 3.32Å; F111-V113 PolarHBondContact O-N 3.31Å; V113-Q116 PolarHBondContact O-N 3.15Å; V113-Q117 VanDerWaalsContact O-CG 3.3Å; V113-Q117 WeakPolarHBondContact O-CG 3.42Å; V113-Q117 PolarHBondContact O-N 3.28Å |
| 114 | Q | 88.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 177.6 | -61.4 | -48.9 | -95.6 | 0 | 0 | 112.2 | F14 V17 L18 F34 K110 F111 I112 Q117 L118 | F14-Q114 HydrophobicContact CB-CB 4.17Å; F14-Q114 HydrophobicContact CB-CG 4.47Å; F14-Q114 HydrophobicContact CD1-CB 4.25Å; F14-Q114 HydrophobicContact CD1-CG 4.44Å; F14-Q114 HydrophobicContact CG-CB 4.18Å; V17-Q114 HydrophobicContact CG1-CG 4.44Å; L18-Q114 HydrophobicContact CD1-CB 4.29Å; L18-Q114 HydrophobicContact CD1-CG 4.12Å; L18-Q114 HydrophobicContact CD2-CG 4.13Å; L18-Q114 HydrophobicContact CG-CG 3.99Å; F34-Q114 HydrophobicContact CZ-CB 4.15Å; K110-Q114 WeakPolarHBondContact O-CG 3.21Å; K110-Q114 PolarHBondContact O-N 3.45Å; F111-Q114 PolarHBondContact O-N 2.88Å; I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 2.98Å; Q114-Q117 PolarHBondContact O-N 3.08Å; Q114-L118 PolarHBondContact O-N 3.28Å; Q114-L118 VanDerWaalsContact O-N 3.15Å |
| 115 | T | 87.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Y33 F111 I112 Q117 L118 E119 | Y33-T115 WeakPolarHBondContact OH-CG2 3.27Å; Y33-T115 PolarHBondContact OH-OG1 2.89Å; F111-T115 PolarHBondContact O-N 3.48Å; F111-T115 PolarHBondContact O-OG1 2.85Å; F111-T115 VanDerWaalsContact O-OG1 3.07Å; I112-T115 PolarHBondContact O-N 2.93Å; I112-T115 VanDerWaalsContact O-N 3.16Å; T115-Q117 PolarHBondContact O-N 3.39Å; T115-L118 WeakPolarHBondContact O-CB 3.45Å; T115-L118 PolarHBondContact O-N 3.31Å; T115-E119 PolarHBondContact O-N 2.99Å; T115-E119 VanDerWaalsContact O-N 3.08Å |
| 116 | Q | 90.9 | Very high | 87 | Confident | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 175.6 | -73 | 173.8 | -27.9 | 0 | 0 | 112.3 | I112 V113 L118 E119 I120 | I112-Q116 HydrophobicContact CG2-CG 4.27Å; I112-Q116 WeakPolarHBondContact O-CG 3.38Å; I112-Q116 PolarHBondContact O-N 3.39Å; V113-Q116 PolarHBondContact O-N 3.15Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 3.47Å; Q116-E119 WeakPolarHBondContact O-CB 3.29Å; Q116-E119 PolarHBondContact O-N 3.13Å; Q116-I120 VanDerWaalsContact O-CG1 3.28Å; Q116-I120 WeakPolarHBondContact O-CG1 3.06Å; Q116-I120 PolarHBondContact O-N 3Å |
| 117 | Q | 90.9 | Very high | 88.1 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 42% | 0.416 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 174.9 | -76 | 178.9 | -35.6 | 0 | 0 | 112 | F14 V113 Q114 T115 M121 | F14-Q117 HydrophobicContact CE1-CB 3.84Å; F14-Q117 HydrophobicContact CZ-CB 3.59Å; V113-Q117 VanDerWaalsContact O-CG 3.3Å; V113-Q117 WeakPolarHBondContact O-CG 3.42Å; V113-Q117 PolarHBondContact O-N 3.28Å; Q114-Q117 PolarHBondContact O-N 3.08Å; T115-Q117 PolarHBondContact O-N 3.39Å; Q117-M121 PolarHBondContact O-N 3.04Å; Q117-M121 VanDerWaalsContact O-N 3.11Å |
| 118 | L | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 173.1 | -175.4 | 60 | 0 | 0 | 0 | 111.1 | F14 F34 V37 I38 Y41 Q114 T115 Q116 I120 M121 F122 | F14-L118 HydrophobicContact CD2-CB 4.29Å; F14-L118 HydrophobicContact CE2-CB 3.7Å; F14-L118 HydrophobicContact CE2-CD1 4.06Å; F14-L118 HydrophobicContact CE2-CG 4.43Å; F34-L118 HydrophobicContact CD1-CD2 3.92Å; F34-L118 HydrophobicContact CE1-CD2 4.43Å; V37-L118 HydrophobicContact CB-CD2 4.38Å; V37-L118 HydrophobicContact CG1-CD2 3.66Å; I38-L118 HydrophobicContact CG1-CD1 4.1Å; I38-L118 HydrophobicContact CG1-CD2 3.87Å; Y41-L118 HydrophobicContact CD2-CD2 4.19Å; Y41-L118 HydrophobicContact CD2-CG 4.04Å; Y41-L118 HydrophobicContact CE2-CD2 4.22Å; Y41-L118 HydrophobicContact CE2-CG 4.12Å; Q114-L118 PolarHBondContact O-N 3.28Å; Q114-L118 VanDerWaalsContact O-N 3.15Å; T115-L118 WeakPolarHBondContact O-CB 3.45Å; T115-L118 PolarHBondContact O-N 3.31Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 3.47Å; L118-I120 PolarHBondContact O-N 3.33Å; L118-M121 HydrophobicContact CD1-CE 3.33Å; L118-M121 WeakPolarHBondContact O-CB 3.26Å; L118-M121 PolarHBondContact O-N 3.05Å; L118-M121 VanDerWaalsContact O-N 3.17Å; L118-F122 HydrophobicContact CD1-CD2 4.06Å; L118-F122 HydrophobicContact CD1-CE2 3.7Å; L118-F122 HydrophobicContact CG-CD2 4.21Å; L118-F122 HydrophobicContact CG-CE2 4.11Å; L118-F122 WeakPolarHBondContact O-CD2 3.38Å; L118-F122 PolarHBondContact O-N 3.45Å; L118-F122 VanDerWaalsContact O-N 3.09Å |
| 119 | E | 89.6 | Confident | 89.1 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 177.3 | -170.6 | -176.4 | 174.6 | 0 | 0 | 112.3 | Y41 T115 Q116 M121 F122 Y123 | Y41-E119 HydrophobicContact CE1-CB 4.34Å; Y41-E119 HydrophobicContact CE1-CG 3.98Å; Y41-E119 HydrophobicContact CE2-CB 4.13Å; T115-E119 PolarHBondContact O-N 2.99Å; T115-E119 VanDerWaalsContact O-N 3.08Å; Q116-E119 WeakPolarHBondContact O-CB 3.29Å; Q116-E119 PolarHBondContact O-N 3.13Å; E119-M121 PolarHBondContact O-N 3.49Å; E119-F122 PolarHBondContact O-N 3.4Å; E119-F122 VanDerWaalsContact O-N 3.11Å; E119-Y123 PolarHBondContact O-N 3Å |
| 120 | I | 91.9 | Very high | 89.1 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 45% | 0.451 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 177.4 | -70 | 165.3 | 0 | 0 | 0 | 111.2 | Q116 L118 Y123 K124 | Q116-I120 VanDerWaalsContact O-CG1 3.28Å; Q116-I120 WeakPolarHBondContact O-CG1 3.06Å; Q116-I120 PolarHBondContact O-N 3Å; L118-I120 PolarHBondContact O-N 3.33Å; I120-Y123 PolarHBondContact O-N 2.83Å; I120-K124 HydrophobicContact CG2-CD 4.28Å; I120-K124 WeakPolarHBondContact O-CG 3.43Å; I120-K124 PolarHBondContact O-N 2.66Å |
| 121 | M | 90.2 | Very high | 89.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 175.7 | 173.8 | 179.8 | 49.1 | 0 | 0 | 111 | I7 Q10 Q117 L118 E119 Y123 K124 I125 | I7-M121 HydrophobicContact CG1-CE 4.33Å; Q10-M121 HydrophobicContact CB-CE 3.7Å; Q10-M121 HydrophobicContact CB-SD 3.93Å; Q10-M121 HydrophobicContact CG-CE 4Å; Q10-M121 HydrophobicContact CG-SD 3.53Å; Q10-M121 VanDerWaalsContact CG-SD 3.53Å; Q117-M121 PolarHBondContact O-N 3.04Å; Q117-M121 VanDerWaalsContact O-N 3.11Å; L118-M121 HydrophobicContact CD1-CE 3.33Å; L118-M121 WeakPolarHBondContact O-CB 3.26Å; L118-M121 PolarHBondContact O-N 3.05Å; L118-M121 VanDerWaalsContact O-N 3.17Å; E119-M121 PolarHBondContact O-N 3.49Å; M121-Y123 VanDerWaalsContact C-N 3.3Å; M121-Y123 PolarHBondContact O-N 3.49Å; M121-K124 WeakPolarHBondContact O-CB 3.26Å; M121-K124 PolarHBondContact O-N 2.96Å; M121-K124 VanDerWaalsContact O-N 3.14Å; M121-I125 HydrophobicContact CG-CD1 3.9Å; M121-I125 HydrophobicContact CG-CG1 4.43Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 2.92Å |
| 122 | F | 91.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.044 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 177.6 | -86.3 | -84.9 | 0 | 0 | 0 | 112.3 | I7 I38 Y41 K42 L45 L118 E119 K124 I125 N126 | I7-F122 HydrophobicContact CD1-CE1 3.77Å; I7-F122 HydrophobicContact CD1-CE2 4.47Å; I7-F122 HydrophobicContact CD1-CZ 3.61Å; I7-F122 HydrophobicContact CG1-CE1 4.47Å; I7-F122 HydrophobicContact CG1-CE2 4.38Å; I7-F122 HydrophobicContact CG1-CZ 3.97Å; I7-F122 HydrophobicContact CG2-CZ 4.22Å; I38-F122 HydrophobicContact CG1-CE2 4.4Å; I38-F122 HydrophobicContact CG2-CZ 4.27Å; Y41-F122 AromaticContact CD2-CD2 3.84Å; Y41-F122 HydrophobicContact CD2-CD2 3.84Å; Y41-F122 HydrophobicContact CD2-CE2 4.1Å; Y41-F122 AromaticContact CG-CD2 3.95Å; Y41-F122 HydrophobicContact CG-CD2 3.95Å; Y41-F122 HydrophobicContact CG-CE2 4.33Å; Y41-F122 HydrophobicContact CG-CG 4.21Å; K42-F122 HydrophobicContact CG-CE1 3.78Å; K42-F122 HydrophobicContact CG-CZ 4.05Å; L45-F122 HydrophobicContact CB-CD1 4.36Å; L45-F122 HydrophobicContact CD2-CD1 4.23Å; L45-F122 HydrophobicContact CD2-CE1 4.48Å; L118-F122 HydrophobicContact CD1-CD2 4.06Å; L118-F122 HydrophobicContact CD1-CE2 3.7Å; L118-F122 HydrophobicContact CG-CD2 4.21Å; L118-F122 HydrophobicContact CG-CE2 4.11Å; L118-F122 WeakPolarHBondContact O-CD2 3.38Å; L118-F122 PolarHBondContact O-N 3.45Å; L118-F122 VanDerWaalsContact O-N 3.09Å; E119-F122 PolarHBondContact O-N 3.4Å; E119-F122 VanDerWaalsContact O-N 3.11Å; F122-K124 PolarHBondContact O-N 2.96Å; F122-I125 PolarHBondContact O-N 3.33Å; F122-N126 WeakPolarHBondContact O-CB 3.49Å; F122-N126 PolarHBondContact O-N 3.49Å |
| 123 | Y | 89.9 | Confident | 89.4 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 173.1 | 175.6 | -101.6 | 0 | 0 | 0 | 112.6 | E119 I120 M121 N126 K127 | E119-Y123 PolarHBondContact O-N 3Å; I120-Y123 PolarHBondContact O-N 2.83Å; M121-Y123 VanDerWaalsContact C-N 3.3Å; M121-Y123 PolarHBondContact O-N 3.49Å; Y123-N126 WeakPolarHBondContact O-CB 3.31Å; Y123-N126 PolarHBondContact O-N 2.89Å; Y123-K127 PolarHBondContact O-N 3.16Å |
| 124 | K | 90.6 | Very high | 89.2 | Confident | 138 Ų | 138 | 60.6 Ų | 60.6 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 176 | -73.4 | 174.2 | 179.8 | -179.8 | 0 | 112.1 | I120 M121 F122 N126 K127 L128 | I120-K124 HydrophobicContact CG2-CD 4.28Å; I120-K124 WeakPolarHBondContact O-CG 3.43Å; I120-K124 PolarHBondContact O-N 2.66Å; M121-K124 WeakPolarHBondContact O-CB 3.26Å; M121-K124 PolarHBondContact O-N 2.96Å; M121-K124 VanDerWaalsContact O-N 3.14Å; F122-K124 PolarHBondContact O-N 2.96Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-K127 PolarHBondContact O-N 3.32Å; K124-L128 WeakPolarHBondContact O-CB 3.47Å; K124-L128 PolarHBondContact O-N 3.27Å |
| 125 | I | 88.4 | Confident | 89.2 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 175 | -67.9 | 171.1 | 0 | 0 | 0 | 110 | F3 I7 L45 M121 F122 L128 N129 | F3-I125 HydrophobicContact CB-CD1 4.49Å; F3-I125 HydrophobicContact CD1-CB 4.21Å; F3-I125 HydrophobicContact CD1-CD1 3.74Å; F3-I125 HydrophobicContact CD1-CG1 3.6Å; F3-I125 HydrophobicContact CD1-CG2 3.64Å; F3-I125 HydrophobicContact CD2-CG2 4.25Å; F3-I125 HydrophobicContact CE1-CB 4.15Å; F3-I125 HydrophobicContact CE1-CD1 4.41Å; F3-I125 HydrophobicContact CE1-CG1 3.76Å; F3-I125 HydrophobicContact CE1-CG2 3.69Å; F3-I125 HydrophobicContact CE2-CG2 4.3Å; F3-I125 HydrophobicContact CG-CD1 4.41Å; F3-I125 HydrophobicContact CG-CG2 3.93Å; F3-I125 HydrophobicContact CZ-CG2 4.02Å; I7-I125 HydrophobicContact CD1-CD1 4.4Å; I7-I125 HydrophobicContact CG1-CD1 4.29Å; L45-I125 HydrophobicContact CD1-CG2 4.14Å; L45-I125 HydrophobicContact CD2-CG2 3.74Å; M121-I125 HydrophobicContact CG-CD1 3.9Å; M121-I125 HydrophobicContact CG-CG1 4.43Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 2.92Å; F122-I125 PolarHBondContact O-N 3.33Å; I125-L128 PolarHBondContact O-N 3.43Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.49Å; I125-N129 PolarHBondContact O-N 3.39Å; I125-N129 PolarHBondContact O-ND2 2.97Å |
| 126 | N | 87.6 | Confident | 89.2 | Confident | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.2 | -55.8 | 176.4 | -173.7 | 64.4 | 0 | 0 | 0 | 111 | L45 L49 F122 Y123 K124 L128 N129 V130 | L45-N126 VanDerWaalsContact CD1-CA 3.45Å; L45-N126 HydrophobicContact CD1-CB 3.53Å; L49-N126 VanDerWaalsContact CD2-OD1 3.31Å; L49-N126 WeakPolarHBondContact CD2-OD1 3.44Å; F122-N126 WeakPolarHBondContact O-CB 3.49Å; F122-N126 PolarHBondContact O-N 3.49Å; Y123-N126 WeakPolarHBondContact O-CB 3.31Å; Y123-N126 PolarHBondContact O-N 2.89Å; K124-N126 VanDerWaalsContact C-N 3.34Å; N126-L128 VanDerWaalsContact C-N 3.31Å; N126-L128 PolarHBondContact O-N 2.91Å; N126-N129 PolarHBondContact O-N 3.24Å; N126-V130 WeakPolarHBondContact O-CG2 3.42Å; N126-V130 PolarHBondContact O-N 3.48Å |
| 127 | K | 89.7 | Confident | 88.9 | Confident | 119 Ų | 119 | 70 Ų | 70 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | -179.2 | -172.9 | 174.1 | -177.8 | 175.1 | 0 | 112.8 | Y123 K124 N131 | Y123-K127 PolarHBondContact O-N 3.16Å; K124-K127 PolarHBondContact O-N 3.32Å; K127-N131 WeakPolarHBondContact O-CB 3.18Å; K127-N131 PolarHBondContact O-N 2.95Å; K127-N131 VanDerWaalsContact O-N 3.16Å; K127-N131 PolarHBondContact O-ND2 3.48Å |
| 128 | L | 90.2 | Very high | 88.5 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 178.8 | -176.6 | 67.8 | 0 | 0 | 0 | 111.6 | F3 K124 I125 N126 N131 L132 | F3-L128 HydrophobicContact CE1-CD2 4.33Å; F3-L128 HydrophobicContact CZ-CD2 4.14Å; K124-L128 WeakPolarHBondContact O-CB 3.47Å; K124-L128 PolarHBondContact O-N 3.27Å; I125-L128 PolarHBondContact O-N 3.43Å; N126-L128 VanDerWaalsContact C-N 3.31Å; N126-L128 PolarHBondContact O-N 2.91Å; L128-N131 PolarHBondContact O-N 2.97Å; L128-L132 HydrophobicContact CD1-CD1 4.46Å; L128-L132 HydrophobicContact CG-CD1 4.06Å; L128-L132 WeakPolarHBondContact O-CB 3.31Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.89Å |
| 129 | N | 88.4 | Confident | 88.3 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | -178.4 | -78.3 | -78.7 | 0 | 0 | 0 | 112.4 | F3 L49 I125 N126 N131 L132 F133 | F3-N129 WeakPolarHBondContact CE2-ND2 3.19Å; F3-N129 WeakPolarHBondContact CE2-OD1 3.45Å; F3-N129 WeakPolarHBondContact CZ-ND2 3.26Å; L49-N129 HydrophobicContact CD1-CB 4.04Å; L49-N129 HydrophobicContact CD2-CB 3.55Å; L49-N129 HydrophobicContact CG-CB 4.47Å; I125-N129 WeakPolarHBondContact CG2-ND2 3.49Å; I125-N129 PolarHBondContact O-N 3.39Å; I125-N129 PolarHBondContact O-ND2 2.97Å; N126-N129 PolarHBondContact O-N 3.24Å; N129-N131 PolarHBondContact O-N 3.47Å; N129-L132 PolarHBondContact O-N 3.38Å; N129-F133 WeakPolarHBondContact O-CB 3.4Å; N129-F133 PolarHBondContact O-N 3.05Å |
| 130 | V | 87.7 | Confident | 87.9 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 173 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L49 E52 I56 N126 L132 F133 E134 | L49-V130 HydrophobicContact CD2-CG2 3.7Å; E52-V130 HydrophobicContact CB-CG1 4.29Å; E52-V130 HydrophobicContact CB-CG2 3.91Å; E52-V130 HydrophobicContact CG-CG2 4.21Å; I56-V130 HydrophobicContact CD1-CG1 3.76Å; N126-V130 WeakPolarHBondContact O-CG2 3.42Å; N126-V130 PolarHBondContact O-N 3.48Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.45Å; V130-F133 PolarHBondContact O-N 3.41Å; V130-E134 PolarHBondContact O-N 3.39Å |
| 131 | N | 87.4 | Confident | 87.2 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 179.4 | -69.9 | -12.5 | 0 | 0 | 0 | 112.8 | K127 L128 N129 R135 | K127-N131 WeakPolarHBondContact O-CB 3.18Å; K127-N131 PolarHBondContact O-N 2.95Å; K127-N131 VanDerWaalsContact O-N 3.16Å; K127-N131 PolarHBondContact O-ND2 3.48Å; L128-N131 PolarHBondContact O-N 2.97Å; N129-N131 PolarHBondContact O-N 3.47Å; N131-R135 WeakPolarHBondContact O-CB 3.41Å; N131-R135 VanDerWaalsContact O-CG 3.26Å; N131-R135 WeakPolarHBondContact O-CG 3.11Å; N131-R135 PolarHBondContact O-N 3.03Å; N131-R135 VanDerWaalsContact O-N 3.15Å |
| 132 | L | 89.2 | Confident | 86.6 | Confident | 95 Ų | 95 | 74.3 Ų | 74.3 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 177.9 | -75.3 | 172.1 | 0 | 0 | 0 | 111.4 | L128 N129 V130 R135 Q136 | L128-L132 HydrophobicContact CD1-CD1 4.46Å; L128-L132 HydrophobicContact CG-CD1 4.06Å; L128-L132 WeakPolarHBondContact O-CB 3.31Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.89Å; N129-L132 PolarHBondContact O-N 3.38Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.45Å; L132-R135 PolarHBondContact O-N 3.07Å; L132-Q136 WeakPolarHBondContact O-CB 3.32Å; L132-Q136 PolarHBondContact O-N 3.39Å |
| 133 | F | 88.5 | Confident | 86.1 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 177.2 | 178.5 | -97.5 | 0 | 0 | 0 | 111.9 | F53 I56 M57 F81 N129 V130 R135 Q136 L137 | F53-F133 HydrophobicContact CB-CD1 4.05Å; F53-F133 HydrophobicContact CB-CE1 3.65Å; F53-F133 HydrophobicContact CB-CE2 4.44Å; F53-F133 HydrophobicContact CB-CZ 3.87Å; F53-F133 HydrophobicContact CD1-CB 3.72Å; F53-F133 AromaticContact CD1-CD1 3.26Å; F53-F133 HydrophobicContact CD1-CD1 3.26Å; F53-F133 HydrophobicContact CD1-CD2 4.01Å; F53-F133 AromaticContact CD1-CE1 3.82Å; F53-F133 HydrophobicContact CD1-CE1 3.82Å; F53-F133 HydrophobicContact CD1-CE2 4.49Å; F53-F133 AromaticContact CD1-CG 3.37Å; F53-F133 HydrophobicContact CD1-CG 3.37Å; F53-F133 HydrophobicContact CD1-CZ 4.4Å; F53-F133 HydrophobicContact CD2-CD2 4.17Å; F53-F133 HydrophobicContact CD2-CE2 4.25Å; F53-F133 HydrophobicContact CD2-CG 4.35Å; F53-F133 HydrophobicContact CE1-CB 3.26Å; F53-F133 AromaticContact CE1-CD1 3.81Å; F53-F133 HydrophobicContact CE1-CD1 3.81Å; F53-F133 HydrophobicContact CE1-CD2 4.05Å; F53-F133 AromaticContact CE1-CG 3.43Å; F53-F133 HydrophobicContact CE1-CG 3.43Å; F53-F133 VanDerWaalsContact CE1-CG 3.43Å; F53-F133 HydrophobicContact CE2-CD2 4.21Å; F53-F133 HydrophobicContact CE2-CG 4.4Å; F53-F133 AromaticContact CG-CD1 3.73Å; F53-F133 HydrophobicContact CG-CD1 3.73Å; F53-F133 HydrophobicContact CG-CD2 4.08Å; F53-F133 AromaticContact CG-CE1 3.81Å; F53-F133 HydrophobicContact CG-CE1 3.81Å; F53-F133 HydrophobicContact CG-CE2 4.16Å; F53-F133 AromaticContact CG-CG 3.87Å; F53-F133 HydrophobicContact CG-CG 3.87Å; F53-F133 HydrophobicContact CG-CZ 4.03Å; F53-F133 HydrophobicContact CZ-CB 3.82Å; F53-F133 HydrophobicContact CZ-CD2 4.14Å; F53-F133 AromaticContact CZ-CG 3.97Å; F53-F133 HydrophobicContact CZ-CG 3.97Å; I56-F133 HydrophobicContact CB-CD1 4.49Å; I56-F133 HydrophobicContact CB-CE1 4.32Å; I56-F133 HydrophobicContact CD1-CD1 4.15Å; I56-F133 HydrophobicContact CG2-CD1 4.24Å; I56-F133 HydrophobicContact CG2-CE1 4.11Å; M57-F133 HydrophobicContact CG-CE1 4.29Å; M57-F133 HydrophobicContact CG-CZ 4.16Å; M57-F133 HydrophobicContact SD-CZ 4.33Å; F81-F133 HydrophobicContact CE2-CE2 4.19Å; F81-F133 AromaticContact CE2-CZ 3.92Å; F81-F133 HydrophobicContact CE2-CZ 3.92Å; F81-F133 HydrophobicContact CZ-CE2 4.07Å; F81-F133 HydrophobicContact CZ-CZ 4.28Å; N129-F133 WeakPolarHBondContact O-CB 3.4Å; N129-F133 PolarHBondContact O-N 3.05Å; V130-F133 PolarHBondContact O-N 3.41Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.26Å; F133-Q136 PolarHBondContact O-N 3.3Å; F133-L137 HydrophobicContact CE1-CD2 4.38Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.76Å |
| 134 | E | 85.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 178.1 | -173 | 176.8 | -160.2 | 0 | 0 | 111.3 | I56 V130 L137 L138 | I56-E134 HydrophobicContact CD1-CB 3.97Å; I56-E134 HydrophobicContact CG2-CB 4.21Å; I56-E134 HydrophobicContact CG2-CG 4.07Å; V130-E134 PolarHBondContact O-N 3.39Å; E134-L137 PolarHBondContact O-N 3.08Å; E134-L138 HydrophobicContact CG-CD1 4.2Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 2.8Å |
| 135 | R | 88.6 | Confident | 84.7 | Confident | 186 Ų | 186 | 72.1 Ų | 72.1 | 70% | 0.702 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 177.4 | -75.9 | 176.8 | 178.8 | -156.2 | -1.7 | 112.8 | N131 L132 F133 L137 L138 F139 | N131-R135 WeakPolarHBondContact O-CB 3.41Å; N131-R135 VanDerWaalsContact O-CG 3.26Å; N131-R135 WeakPolarHBondContact O-CG 3.11Å; N131-R135 PolarHBondContact O-N 3.03Å; N131-R135 VanDerWaalsContact O-N 3.15Å; L132-R135 PolarHBondContact O-N 3.07Å; F133-R135 VanDerWaalsContact C-N 3.32Å; F133-R135 PolarHBondContact O-N 3.26Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L138 PolarHBondContact O-N 3.26Å; R135-F139 WeakPolarHBondContact O-CB 3.3Å; R135-F139 PolarHBondContact O-N 2.48Å |
| 136 | Q | 88.6 | Confident | 84.1 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 179 | -176.2 | 61.2 | 50.3 | 0 | 0 | 110.6 | L132 F133 L138 F139 D140 | L132-Q136 WeakPolarHBondContact O-CB 3.32Å; L132-Q136 PolarHBondContact O-N 3.39Å; F133-Q136 PolarHBondContact O-N 3.3Å; Q136-L138 PolarHBondContact O-N 2.96Å; Q136-F139 PolarHBondContact O-N 3.45Å; Q136-D140 PolarHBondContact NE2-OD1 3.27Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 2.91Å |
| 137 | L | 84.1 | Confident | 83.3 | Confident | 35 Ų | 35 | 83 Ų | 83 | 18% | 0.183 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 177.4 | -175.9 | 64.4 | 0 | 0 | 0 | 110.5 | I56 M57 V60 F133 E134 R135 F139 D140 I141 | I56-L137 HydrophobicContact CG2-CD2 3.78Å; M57-L137 HydrophobicContact CG-CD2 4.13Å; V60-L137 HydrophobicContact CB-CD2 4.19Å; V60-L137 HydrophobicContact CG1-CD2 4.27Å; V60-L137 HydrophobicContact CG2-CD2 3.85Å; F133-L137 HydrophobicContact CE1-CD2 4.38Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.76Å; E134-L137 PolarHBondContact O-N 3.08Å; R135-L137 VanDerWaalsContact C-N 3.34Å; L137-F139 VanDerWaalsContact C-N 3.28Å; L137-F139 PolarHBondContact O-N 3.43Å; L137-D140 PolarHBondContact O-N 2.94Å; L137-D140 VanDerWaalsContact O-N 3.12Å; L137-I141 HydrophobicContact CG-CD1 4.45Å; L137-I141 VanDerWaalsContact O-CG1 3.25Å; L137-I141 WeakPolarHBondContact O-CG1 3.41Å; L137-I141 PolarHBondContact O-N 3.29Å |
| 138 | L | 83.2 | Confident | 83 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.5 | -37.9 | 178.2 | -69.4 | 172.6 | 0 | 0 | 0 | 112.9 | V60 E134 R135 Q136 I141 F142 | V60-L138 HydrophobicContact CG2-CD2 4.33Å; E134-L138 HydrophobicContact CG-CD1 4.2Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 2.8Å; R135-L138 PolarHBondContact O-N 3.26Å; Q136-L138 PolarHBondContact O-N 2.96Å; L138-I141 HydrophobicContact CD2-CD1 4.21Å; L138-I141 PolarHBondContact O-N 3.21Å; L138-F142 WeakPolarHBondContact O-CB 3.25Å; L138-F142 PolarHBondContact O-N 2.94Å |
| 139 | F | 83.3 | Confident | 82.6 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.7 | -176.6 | -106.2 | 0 | 0 | 0 | 112.2 | R135 Q136 L137 I141 F142 N143 | R135-F139 WeakPolarHBondContact O-CB 3.3Å; R135-F139 PolarHBondContact O-N 2.48Å; Q136-F139 PolarHBondContact O-N 3.45Å; L137-F139 VanDerWaalsContact C-N 3.28Å; L137-F139 PolarHBondContact O-N 3.43Å; F139-I141 VanDerWaalsContact C-N 3.31Å; F139-I141 PolarHBondContact O-N 2.83Å; F139-F142 PolarHBondContact O-N 3.45Å; F139-N143 VanDerWaalsContact CD1-ND2 3.29Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.29Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.36Å; F139-N143 VanDerWaalsContact CZ-ND2 3.3Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.3Å; F139-N143 PolarHBondContact O-N 2.98Å; F139-N143 PolarHBondContact O-ND2 3.12Å |
| 140 | D | 82.5 | Confident | 82.3 | Confident | 79 Ų | 79 | 84.1 Ų | 84.1 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.3 | -66.2 | -20 | 0 | 0 | 0 | 111.4 | Q136 L137 K144 | Q136-D140 PolarHBondContact NE2-OD1 3.27Å; Q136-D140 VanDerWaalsContact O-CG 3.26Å; Q136-D140 PolarHBondContact O-N 2.91Å; L137-D140 PolarHBondContact O-N 2.94Å; L137-D140 VanDerWaalsContact O-N 3.12Å; D140-K144 WeakPolarHBondContact O-CB 2.96Å; D140-K144 PolarHBondContact O-N 3.11Å |
| 141 | I | 76.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.8 | -51.1 | 173 | -58.1 | 170.3 | 0 | 0 | 0 | 110.6 | V60 Y64 M69 L137 L138 F139 N143 K144 I145 | V60-I141 HydrophobicContact CB-CD1 4.38Å; V60-I141 HydrophobicContact CG1-CD1 3.26Å; V60-I141 HydrophobicContact CG1-CG1 4.34Å; V60-I141 HydrophobicContact CG2-CD1 4.22Å; Y64-I141 HydrophobicContact CD1-CG2 4.31Å; Y64-I141 HydrophobicContact CD2-CD1 4.06Å; Y64-I141 HydrophobicContact CD2-CG2 4.35Å; Y64-I141 HydrophobicContact CE1-CG2 3.95Å; Y64-I141 HydrophobicContact CE2-CD1 3.77Å; Y64-I141 HydrophobicContact CE2-CG2 4.03Å; Y64-I141 HydrophobicContact CG-CG2 4.5Å; M69-I141 HydrophobicContact CE-CB 3.82Å; M69-I141 HydrophobicContact CE-CD1 4.46Å; M69-I141 HydrophobicContact CE-CG1 3.42Å; M69-I141 VanDerWaalsContact CE-CG1 3.42Å; M69-I141 HydrophobicContact CE-CG2 3.84Å; M69-I141 HydrophobicContact SD-CB 4.48Å; M69-I141 HydrophobicContact SD-CD1 4.26Å; M69-I141 HydrophobicContact SD-CG1 3.82Å; M69-I141 HydrophobicContact SD-CG2 4.13Å; L137-I141 HydrophobicContact CG-CD1 4.45Å; L137-I141 VanDerWaalsContact O-CG1 3.25Å; L137-I141 WeakPolarHBondContact O-CG1 3.41Å; L137-I141 PolarHBondContact O-N 3.29Å; L138-I141 HydrophobicContact CD2-CD1 4.21Å; L138-I141 PolarHBondContact O-N 3.21Å; F139-I141 VanDerWaalsContact C-N 3.31Å; F139-I141 PolarHBondContact O-N 2.83Å; I141-N143 VanDerWaalsContact C-N 3.31Å; I141-N143 PolarHBondContact O-N 3.07Å; I141-K144 PolarHBondContact O-N 2.71Å; I141-K144 VanDerWaalsContact O-N 3.11Å; I141-I145 HydrophobicContact CG2-CD1 3.65Å; I141-I145 HydrophobicContact CG2-CG1 4.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.23Å; I141-I145 PolarHBondContact O-N 3.44Å |
| 142 | F | 77.7 | Confident | 81.6 | Confident | 123 Ų | 123 | 89.1 Ų | 89.1 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.4 | -46.6 | -179.4 | 175.7 | -93 | 0 | 0 | 0 | 111.3 | L138 F139 K144 I145 N146 | L138-F142 WeakPolarHBondContact O-CB 3.25Å; L138-F142 PolarHBondContact O-N 2.94Å; F139-F142 PolarHBondContact O-N 3.45Å; F142-K144 VanDerWaalsContact C-N 3.33Å; F142-K144 PolarHBondContact O-N 3.03Å; F142-I145 PolarHBondContact O-N 2.8Å; F142-N146 WeakPolarHBondContact CD2-ND2 3.46Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.18Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.49Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.45Å; F142-N146 PolarHBondContact O-N 3.17Å; F142-N146 VanDerWaalsContact O-N 3.17Å; F142-N146 PolarHBondContact O-ND2 3.07Å |
| 143 | N | 80.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 32% | 0.316 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 177.6 | -69.5 | -29.4 | 0 | 0 | 0 | 111.7 | F139 I141 I145 N146 S147 | F139-N143 VanDerWaalsContact CD1-ND2 3.29Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.29Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.36Å; F139-N143 VanDerWaalsContact CZ-ND2 3.3Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.3Å; F139-N143 PolarHBondContact O-N 2.98Å; F139-N143 PolarHBondContact O-ND2 3.12Å; I141-N143 VanDerWaalsContact C-N 3.31Å; I141-N143 PolarHBondContact O-N 3.07Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 3.3Å; N143-N146 PolarHBondContact O-N 2.69Å; N143-S147 WeakPolarHBondContact O-CB 3.39Å; N143-S147 PolarHBondContact O-N 3.3Å; N143-S147 VanDerWaalsContact O-N 3.07Å; N143-S147 PolarHBondContact O-OG 3.37Å |
| 144 | K | 78.2 | Confident | 80.6 | Confident | 124 Ų | 124 | 91.7 Ų | 91.7 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.9 | -31.4 | 178.9 | -169.9 | 176.7 | 179.7 | -173.7 | 0 | 113.1 | M69 D140 I141 F142 | M69-K144 HydrophobicContact CE-CD 4.12Å; D140-K144 WeakPolarHBondContact O-CB 2.96Å; D140-K144 PolarHBondContact O-N 3.11Å; I141-K144 PolarHBondContact O-N 2.71Å; I141-K144 VanDerWaalsContact O-N 3.11Å; F142-K144 VanDerWaalsContact C-N 3.33Å; F142-K144 PolarHBondContact O-N 3.03Å |
| 145 | I | 72.7 | Confident | 80.1 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.9 | -32.6 | 176.5 | -68.8 | 172.3 | 0 | 0 | 0 | 111.4 | Y64 I141 F142 N143 | Y64-I145 HydrophobicContact CD1-CD1 4.21Å; Y64-I145 HydrophobicContact CE1-CD1 3.79Å; I141-I145 HydrophobicContact CG2-CD1 3.65Å; I141-I145 HydrophobicContact CG2-CG1 4.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.23Å; I141-I145 PolarHBondContact O-N 3.44Å; F142-I145 PolarHBondContact O-N 2.8Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 3.3Å |
| 146 | N | 74.9 | Confident | 79.4 | Confident | 106 Ų | 106 | 86.5 Ų | 86.5 | 57% | 0.567 | 45% | 0.446 | S | S | * | . | trans | -98.1 | 4.7 | -176.3 | -65 | -69.5 | 0 | 0 | 0 | 114.5 | F142 N143 | F142-N146 WeakPolarHBondContact CD2-ND2 3.46Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.18Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.49Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.45Å; F142-N146 PolarHBondContact O-N 3.17Å; F142-N146 VanDerWaalsContact O-N 3.17Å; F142-N146 PolarHBondContact O-ND2 3.07Å; N143-N146 PolarHBondContact O-N 2.69Å | ||
| 147 | S | 71.3 | Confident | 78.6 | Confident | 154 Ų | 154 | 85.3 Ų | 85.3 | 100% | 1.077 | 44% | 0.444 | S | S | * | . | trans | -99.1 | 0 | 173.9 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | N143 | N143-S147 WeakPolarHBondContact O-CB 3.39Å; N143-S147 PolarHBondContact O-N 3.3Å; N143-S147 VanDerWaalsContact O-N 3.07Å; N143-S147 PolarHBondContact O-OG 3.37Å |
Retrieved 147 of 147 residues in 126.3 ms
(Link to these results)