| 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 | 36.8 | Very low | 67.1 | Low | 243 Ų | 243 | 107.8 Ų | 107.8 | 100% | 1.197 | 59% | 0.585 | S | S | * | * | 0 | 107.6 | 0 | -65.1 | 175.7 | -127.2 | 0 | 0 | 107.4 | |||||
| 2 | R | 42.8 | Very low | 68.6 | Low | 246 Ų | 246 | 99.2 Ų | 99.2 | 93% | 0.928 | 54% | 0.538 | S | S | * | . | trans | -87.2 | 122.2 | 177.2 | -142.8 | 175.5 | -172.1 | 177.4 | 1.6 | 105.9 | G4 | R2-G4 PolarHBondContact O-N 3.28Š| ||
| 3 | N | 50.4 | Low | 69.4 | Low | 176 Ų | 176 | 97.1 Ų | 97.1 | 94% | 0.941 | 53% | 0.525 | S | S | * | . | trans | -64.3 | 81 | 170.4 | -82.1 | -10.7 | 0 | 0 | 0 | 108.5 | ||||
| 4 | G | 56.2 | Low | 70 | Confident | 49 Ų | 49 | 90.1 Ų | 90.1 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 122.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R2 A6 | R2-G4 PolarHBondContact O-N 3.28Å; G4-A6 PolarHBondContact O-N 3.25Å |
| 5 | T | 62.3 | Low | 70.1 | Confident | 132 Ų | 132 | 86.3 Ų | 86.3 | 81% | 0.81 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 125.4 | 166.8 | 45.4 | 0 | 0 | 0 | 0 | 109 | I7 | T5-I7 PolarHBondContact O-N 3.27Š|
| 6 | A | 70.1 | Confident | 69.6 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 65% | 0.653 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 136.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G4 T8 | G4-A6 PolarHBondContact O-N 3.25Å; A6-T8 PolarHBondContact O-N 3Å; A6-T8 VanDerWaalsContact O-N 3.16Å |
| 7 | I | 78.1 | Confident | 69.2 | Low | 26 Ų | 26 | 83.8 Ų | 83.8 | 13% | 0.133 | 47% | 0.472 | C | S | . | . | trans | -69 | 112.9 | 176.5 | -61.3 | 172.7 | 0 | 0 | 0 | 108.9 | T5 E9 F10 T92 F166 G168 N170 | T5-I7 PolarHBondContact O-N 3.27Å; I7-E9 WeakPolarHBondContact CG2-O 3.27Å; I7-F10 HydrophobicContact CG2-CD1 4.26Å; I7-F10 HydrophobicContact CG2-CE1 4.07Å; I7-F10 HydrophobicContact CG2-CZ 4.42Å; I7-T92 PolarHBondContact O-OG1 2.88Å; I7-F166 HydrophobicContact CB-CB 4.13Å; I7-F166 HydrophobicContact CD1-CB 4.21Å; I7-F166 HydrophobicContact CG1-CB 4.48Å; I7-F166 WeakPolarHBondContact CG1-O 3.44Å; I7-F166 PolarHBondContact N-O 3.44Å; I7-G168 VanDerWaalsContact CD1-O 3.23Å; I7-G168 WeakPolarHBondContact CD1-O 3.48Å; I7-N170 HydrophobicContact CD1-CB 4.15Å; I7-N170 HydrophobicContact CG1-CB 4.42Å; I7-N170 HydrophobicContact CG2-CB 3.65Å | ||
| 8 | T | 81.1 | Confident | 69 | Low | 106 Ų | 106 | 81.7 Ų | 81.7 | 65% | 0.65 | 46% | 0.459 | S | S | * | . | trans | -88.8 | -20.1 | 176.8 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | A6 T92 | A6-T8 PolarHBondContact O-N 3Å; A6-T8 VanDerWaalsContact O-N 3.16Å; T8-T92 VanDerWaalsContact C-OG1 3.24Å; T8-T92 PolarHBondContact O-N 3.27Å; T8-T92 PolarHBondContact O-OG1 3.15Å | ||
| 9 | E | 88 | Confident | 68.9 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 137.1 | -171.9 | -64.3 | -179.8 | 169.8 | 0 | 0 | 112.1 | I7 V89 I90 N170 | I7-E9 WeakPolarHBondContact CG2-O 3.27Å; E9-V89 HydrophobicContact CB-CG1 3.72Å; E9-V89 HydrophobicContact CG-CG1 4.05Å; E9-V89 WeakPolarHBondContact OE2-CG1 3.48Å; E9-I90 CarbonylContact C-O 3.58Å; E9-I90 WeakPolarHBondContact CA-O 3.3Å; E9-N170 WeakPolarHBondContact O-CB 3.38Å; E9-N170 PolarHBondContact O-ND2 3.26Å |
| 10 | F | 87.1 | Confident | 69.1 | Low | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 150.2 | 170.1 | -66.8 | -71 | 0 | 0 | 0 | 111.8 | I7 V89 I90 T92 C95 F166 N170 I172 A185 | I7-F10 HydrophobicContact CG2-CD1 4.26Å; I7-F10 HydrophobicContact CG2-CE1 4.07Å; I7-F10 HydrophobicContact CG2-CZ 4.42Å; F10-V89 CarbonylContact O-C 3.6Å; F10-V89 WeakPolarHBondContact O-CA 3.24Å; F10-I90 HydrophobicContact CB-CG2 3.91Å; F10-I90 PolarHBondContact N-O 3.24Å; F10-I90 PolarHBondContact O-N 3.09Å; F10-T92 HydrophobicContact CE2-CG2 3.89Å; F10-C95 HydrophobicContact CD2-CB 3.89Å; F10-C95 HydrophobicContact CE2-CB 4.4Å; F10-F166 HydrophobicContact CZ-CB 4.46Å; F10-F166 HydrophobicContact CZ-CD1 4.02Å; F10-F166 HydrophobicContact CZ-CE1 4.48Å; F10-F166 HydrophobicContact CZ-CG 4.14Å; F10-N170 CarbonylContact C-O 3.51Å; F10-N170 VanDerWaalsContact CA-O 3.27Å; F10-N170 WeakPolarHBondContact CA-O 3.34Å; F10-N170 HydrophobicContact CD1-CB 4.43Å; F10-I172 HydrophobicContact CB-CD1 3.79Å; F10-I172 HydrophobicContact CB-CG1 4.27Å; F10-I172 HydrophobicContact CD1-CD1 3.78Å; F10-I172 HydrophobicContact CD1-CG1 3.96Å; F10-I172 HydrophobicContact CD2-CD1 4.12Å; F10-I172 HydrophobicContact CE1-CD1 4.38Å; F10-I172 HydrophobicContact CG-CD1 3.64Å; F10-I172 HydrophobicContact CG-CG1 4.24Å; F10-A185 HydrophobicContact CE1-CB 3.92Å |
| 11 | I | 85.8 | Confident | 69.6 | Low | 27 Ų | 27 | 86.2 Ų | 86.2 | 14% | 0.138 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.6 | 175.4 | -56.3 | 162.2 | 0 | 0 | 0 | 108 | K87 T88 N170 V171 I172 | I11-K87 HydrophobicContact CG2-CG 3.95Å; I11-T88 CarbonylContact C-O 3.57Å; I11-T88 WeakPolarHBondContact CA-O 3.49Å; I11-N170 PolarHBondContact N-O 3.24Å; I11-V171 HydrophobicContact CB-CG2 4.39Å; I11-V171 HydrophobicContact CD1-CG2 4.16Å; I11-I172 PolarHBondContact O-N 3.2Å |
| 12 | L | 84.5 | Confident | 71.8 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.021 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118 | 175.4 | -63.4 | 174.6 | 0 | 0 | 0 | 109.3 | G14 K78 T88 I90 I172 | L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.26Å; L12-K78 HydrophobicContact CD1-CD 4.35Å; L12-K78 HydrophobicContact CD1-CG 3.59Å; L12-T88 HydrophobicContact CB-CG2 4.24Å; L12-T88 HydrophobicContact CD1-CG2 4.3Å; L12-T88 PolarHBondContact N-O 3.44Å; L12-I90 HydrophobicContact CD1-CG2 4.14Å; L12-I90 HydrophobicContact CD2-CG2 4.47Å; L12-I90 HydrophobicContact CG-CG2 4.04Å; L12-I172 HydrophobicContact CD2-CB 4.02Å; L12-I172 HydrophobicContact CD2-CD1 4.49Å; L12-I172 HydrophobicContact CD2-CG2 3.82Å |
| 13 | L | 79.4 | Confident | 73.7 | Confident | 72 Ų | 72 | 70 Ų | 70 | 38% | 0.377 | 44% | 0.436 | S | S | . | . | trans | -72.9 | -21.2 | -178.3 | -95.9 | 159.5 | 0 | 0 | 0 | 113.9 | F15 V171 I172 N173 H174 | L13-F15 PolarHBondContact O-N 3.49Å; L13-V171 HydrophobicContact CD1-CG1 3.29Å; L13-V171 HydrophobicContact CG-CG1 3.72Å; L13-I172 PolarHBondContact N-O 3.47Å; L13-N173 HydrophobicContact CD1-CB 3.9Å; L13-H174 PolarHBondContact N-O 3.27Å | ||
| 14 | G | 78.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | 54.4 | -124.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 P16 H174 K270 | L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.26Å; G14-P16 WeakPolarHBondContact O-CD 3.44Å; G14-H174 PolarHBondContact N-O 3.08Å; G14-H174 VanDerWaalsContact N-O 3.14Å; G14-K270 PolarHBondContact O-NZ 3.48Å | ||
| 15 | F | 71.6 | Confident | 76.6 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | trans | -120.1 | 85.1 | -179.4 | -68.5 | -88.2 | 0 | 0 | 0 | 112.7 | L13 G17 I18 L79 F83 F175 K270 V271 V274 | L13-F15 PolarHBondContact O-N 3.49Å; F15-G17 PolarHBondContact O-N 2.99Å; F15-G17 VanDerWaalsContact O-N 3.11Å; F15-I18 HydrophobicContact CB-CD1 3.5Å; F15-I18 VanDerWaalsContact CB-CD1 3.5Å; F15-I18 HydrophobicContact CB-CG1 4Å; F15-I18 HydrophobicContact CD1-CD1 3.86Å; F15-I18 HydrophobicContact CG-CD1 3.83Å; F15-L79 HydrophobicContact CD2-CD1 4.26Å; F15-L79 HydrophobicContact CE2-CD1 3.84Å; F15-F83 HydrophobicContact CD2-CE1 4.22Å; F15-F83 HydrophobicContact CD2-CZ 4.3Å; F15-F175 HydrophobicContact CE2-CB 4.27Å; F15-F175 AromaticContact CE2-CD1 3.99Å; F15-F175 HydrophobicContact CE2-CD1 3.99Å; F15-F175 HydrophobicContact CE2-CG 4.22Å; F15-F175 HydrophobicContact CZ-CD1 4.08Å; F15-F175 HydrophobicContact CZ-CE1 4.43Å; F15-K270 HydrophobicContact CE1-CB 3.56Å; F15-K270 HydrophobicContact CE1-CD 4.34Å; F15-K270 HydrophobicContact CZ-CB 3.74Å; F15-V271 HydrophobicContact CE1-CG2 4.01Å; F15-V274 HydrophobicContact CE2-CG2 3.88Å; F15-V274 HydrophobicContact CZ-CG2 3.55Å | ||
| 16 | P | 62.2 | Low | 77.8 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.4 | -173.1 | 25 | -33.1 | 0 | 0 | 0 | 114.9 | G14 | G14-P16 WeakPolarHBondContact O-CD 3.44Š|
| 17 | G | 62.3 | Low | 78.6 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 11.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F15 | F15-G17 PolarHBondContact O-N 2.99Å; F15-G17 VanDerWaalsContact O-N 3.11Å |
| 18 | I | 65.9 | Low | 79 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | trans | -116.2 | 38.2 | -170.3 | -49.3 | 178 | 0 | 0 | 0 | 111.8 | F15 G20 L21 L25 | F15-I18 HydrophobicContact CB-CD1 3.5Å; F15-I18 VanDerWaalsContact CB-CD1 3.5Å; F15-I18 HydrophobicContact CB-CG1 4Å; F15-I18 HydrophobicContact CD1-CD1 3.86Å; F15-I18 HydrophobicContact CG-CD1 3.83Å; I18-G20 PolarHBondContact O-N 3.35Å; I18-L21 HydrophobicContact CG2-CB 3.43Å; I18-L21 VanDerWaalsContact CG2-CB 3.43Å; I18-L21 HydrophobicContact CG2-CD2 4.25Å; I18-L21 HydrophobicContact CG2-CG 4.46Å; I18-L21 PolarHBondContact O-N 2.98Å; I18-L25 HydrophobicContact CB-CD1 4.42Å; I18-L25 HydrophobicContact CD1-CD1 3.73Å; I18-L25 HydrophobicContact CG2-CD1 3.56Å | ||
| 19 | Q | 66.7 | Low | 79.3 | Confident | 181 Ų | 181 | 60.9 Ų | 60.9 | 85% | 0.846 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 126.1 | 176.1 | -68.8 | -177.8 | -16.6 | 0 | 0 | 109.9 | ||
| 20 | G | 73 | Confident | 79.4 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -21.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | I18 | I18-G20 PolarHBondContact O-N 3.35Š|
| 21 | L | 79.3 | Confident | 79.4 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -1 | 178.5 | -149.2 | 75.6 | 0 | 0 | 0 | 113.4 | I18 A23 L24 L25 | I18-L21 HydrophobicContact CG2-CB 3.43Å; I18-L21 VanDerWaalsContact CG2-CB 3.43Å; I18-L21 HydrophobicContact CG2-CD2 4.25Å; I18-L21 HydrophobicContact CG2-CG 4.46Å; I18-L21 PolarHBondContact O-N 2.98Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.76Å; L21-L24 HydrophobicContact CD1-CB 4.35Å; L21-L24 HydrophobicContact CD1-CD2 3.65Å; L21-L24 HydrophobicContact CG-CB 4.21Å; L21-L24 HydrophobicContact CG-CD2 4Å; L21-L24 PolarHBondContact O-N 3.06Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L21-L25 HydrophobicContact CD2-CD1 4.39Å; L21-L25 HydrophobicContact CD2-CD2 4.32Å; L21-L25 HydrophobicContact CD2-CG 4.12Å; L21-L25 HydrophobicContact CG-CG 4.34Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 2.96Å |
| 22 | Q | 82.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 66 Ų | 66 | 36% | 0.36 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.9 | -45.4 | -175.3 | -71.5 | 167.6 | -41.2 | 0 | 0 | 112.6 | L25 F26 F83 | Q22-L25 PolarHBondContact O-N 2.71Å; Q22-F26 VanDerWaalsContact O-CB 3.31Å; Q22-F26 WeakPolarHBondContact O-CB 3.37Å; Q22-F26 PolarHBondContact O-N 3.09Å; Q22-F83 HydrophobicContact CB-CB 4.25Å; Q22-F83 HydrophobicContact CB-CD1 4.46Å; Q22-F83 HydrophobicContact CG-CD1 4.34Å |
| 23 | A | 83.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 F26 I27 | L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.76Å; A23-F26 PolarHBondContact O-N 3.37Å; A23-I27 VanDerWaalsContact O-CG1 3.29Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 3.17Å |
| 24 | L | 83.7 | Confident | 80.4 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.7 | -179.9 | 68.6 | 0 | 0 | 0 | 111.1 | L21 F26 I27 V28 | L21-L24 HydrophobicContact CD1-CB 4.35Å; L21-L24 HydrophobicContact CD1-CD2 3.65Å; L21-L24 HydrophobicContact CG-CB 4.21Å; L21-L24 HydrophobicContact CG-CD2 4Å; L21-L24 PolarHBondContact O-N 3.06Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.23Å; L24-I27 PolarHBondContact O-N 2.91Å; L24-V28 HydrophobicContact CD1-CG2 4.38Å; L24-V28 HydrophobicContact CG-CG2 4.49Å; L24-V28 WeakPolarHBondContact O-CG2 3.25Å; L24-V28 PolarHBondContact O-N 3.5Å |
| 25 | L | 83.4 | Confident | 80.9 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178 | -71.9 | 178.8 | 0 | 0 | 0 | 112 | I18 L21 Q22 V28 I29 F83 | I18-L25 HydrophobicContact CB-CD1 4.42Å; I18-L25 HydrophobicContact CD1-CD1 3.73Å; I18-L25 HydrophobicContact CG2-CD1 3.56Å; L21-L25 HydrophobicContact CD2-CD1 4.39Å; L21-L25 HydrophobicContact CD2-CD2 4.32Å; L21-L25 HydrophobicContact CD2-CG 4.12Å; L21-L25 HydrophobicContact CG-CG 4.34Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 2.96Å; Q22-L25 PolarHBondContact O-N 2.71Å; L25-V28 PolarHBondContact O-N 2.87Å; L25-I29 HydrophobicContact CB-CD1 4.48Å; L25-I29 VanDerWaalsContact O-CB 3.28Å; L25-I29 WeakPolarHBondContact O-CB 3.36Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.39Å; L25-I29 PolarHBondContact O-N 2.93Å; L25-F83 HydrophobicContact CB-CE1 4.18Å; L25-F83 HydrophobicContact CB-CE2 4.35Å; L25-F83 HydrophobicContact CB-CZ 4.09Å; L25-F83 HydrophobicContact CD1-CE1 4.04Å; L25-F83 HydrophobicContact CD1-CZ 4.37Å |
| 26 | F | 87.2 | Confident | 81.7 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.8 | -52.3 | 173.6 | -179.4 | -83.3 | 0 | 0 | 0 | 110.7 | Q22 A23 L24 V28 I29 F30 L80 F83 V84 | Q22-F26 VanDerWaalsContact O-CB 3.31Å; Q22-F26 WeakPolarHBondContact O-CB 3.37Å; Q22-F26 PolarHBondContact O-N 3.09Å; A23-F26 PolarHBondContact O-N 3.37Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.23Å; F26-V28 PolarHBondContact O-N 3.34Å; F26-I29 PolarHBondContact O-N 3.4Å; F26-F30 HydrophobicContact CE1-CB 4.47Å; F26-F30 WeakPolarHBondContact O-CB 3.31Å; F26-F30 PolarHBondContact O-N 2.83Å; F26-L80 HydrophobicContact CD2-CB 4.07Å; F26-L80 HydrophobicContact CD2-CD2 3.76Å; F26-L80 WeakPolarHBondContact CD2-O 3.35Å; F26-L80 HydrophobicContact CE2-CB 3.8Å; F26-L80 HydrophobicContact CE2-CD2 4.03Å; F26-L80 HydrophobicContact CE2-CG 4.4Å; F26-L80 HydrophobicContact CG-CD2 4.13Å; F26-L80 WeakPolarHBondContact O-CD2 3.42Å; F26-F83 HydrophobicContact CB-CB 4.13Å; F26-F83 HydrophobicContact CB-CD2 4.29Å; F26-F83 HydrophobicContact CD2-CB 4.28Å; F26-V84 HydrophobicContact CD2-CG2 3.63Å; F26-V84 HydrophobicContact CE2-CG2 3.49Å; F26-V84 VanDerWaalsContact CE2-CG2 3.49Å; F26-V84 HydrophobicContact CZ-CG2 4.37Å |
| 27 | I | 88 | Confident | 83.1 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 48% | 0.482 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | -179.7 | -67.5 | 164.6 | 0 | 0 | 0 | 110.5 | A23 L24 F30 L31 | A23-I27 VanDerWaalsContact O-CG1 3.29Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 3.17Å; L24-I27 PolarHBondContact O-N 2.91Å; I27-F30 PolarHBondContact O-N 3.25Å; I27-L31 HydrophobicContact CG2-CD1 3.96Å; I27-L31 HydrophobicContact CG2-CG 4.42Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 3.41Å |
| 28 | V | 86.5 | Confident | 84.4 | Confident | 64 Ų | 64 | 69 Ų | 69 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | -178.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L24 L25 F26 F30 L31 I32 | L24-V28 HydrophobicContact CD1-CG2 4.38Å; L24-V28 HydrophobicContact CG-CG2 4.49Å; L24-V28 WeakPolarHBondContact O-CG2 3.25Å; L24-V28 PolarHBondContact O-N 3.5Å; L25-V28 PolarHBondContact O-N 2.87Å; F26-V28 PolarHBondContact O-N 3.34Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.16Å; V28-L31 PolarHBondContact O-N 3.5Å; V28-I32 HydrophobicContact CG1-CD1 3.88Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.27Å; V28-I32 PolarHBondContact O-N 2.98Å |
| 29 | I | 86.4 | Confident | 85.5 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | -178.7 | -69.6 | 165.4 | 0 | 0 | 0 | 110.9 | L25 F26 I32 Y33 I76 L79 L80 F83 I278 | L25-I29 HydrophobicContact CB-CD1 4.48Å; L25-I29 VanDerWaalsContact O-CB 3.28Å; L25-I29 WeakPolarHBondContact O-CB 3.36Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.39Å; L25-I29 PolarHBondContact O-N 2.93Å; F26-I29 PolarHBondContact O-N 3.4Å; I29-I32 PolarHBondContact O-N 3.31Å; I29-Y33 WeakPolarHBondContact O-CB 3.4Å; I29-Y33 PolarHBondContact O-N 2.96Å; I29-I76 HydrophobicContact CG2-CG2 3.69Å; I29-L79 HydrophobicContact CD1-CD2 4.13Å; I29-L79 HydrophobicContact CG2-CD2 4.16Å; I29-L80 HydrophobicContact CB-CD2 3.95Å; I29-L80 HydrophobicContact CG2-CD2 3.74Å; I29-L80 HydrophobicContact CG2-CG 4.2Å; I29-F83 HydrophobicContact CD1-CE2 3.45Å; I29-F83 VanDerWaalsContact CD1-CE2 3.45Å; I29-F83 HydrophobicContact CD1-CZ 3.72Å; I29-I278 HydrophobicContact CG1-CD1 4.31Å; I29-I278 HydrophobicContact CG2-CD1 4.2Å |
| 30 | F | 89.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.7 | -179.3 | -104.7 | 0 | 0 | 0 | 111.8 | F26 I27 V28 I32 Y33 I34 L80 | F26-F30 HydrophobicContact CE1-CB 4.47Å; F26-F30 WeakPolarHBondContact O-CB 3.31Å; F26-F30 PolarHBondContact O-N 2.83Å; I27-F30 PolarHBondContact O-N 3.25Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.16Å; F30-I32 VanDerWaalsContact C-N 3.32Å; F30-I32 PolarHBondContact O-N 2.87Å; F30-Y33 WeakPolarHBondContact O-CB 3.15Å; F30-Y33 PolarHBondContact O-N 2.85Å; F30-I34 HydrophobicContact CD1-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CG1 4.07Å; F30-I34 HydrophobicContact CE2-CD1 4.26Å; F30-I34 HydrophobicContact CE2-CG1 4.28Å; F30-I34 HydrophobicContact CZ-CD1 4.1Å; F30-I34 HydrophobicContact CZ-CG1 3.96Å; F30-I34 WeakPolarHBondContact O-CG1 3.36Å; F30-I34 PolarHBondContact O-N 3.15Å; F30-L80 HydrophobicContact CB-CD1 4.25Å; F30-L80 HydrophobicContact CB-CD2 4.1Å; F30-L80 HydrophobicContact CD2-CD1 3.87Å |
| 31 | L | 88.7 | Confident | 87.7 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 175.2 | -73.3 | 174.3 | 0 | 0 | 0 | 111.6 | I27 V28 Y33 I34 L35 | I27-L31 HydrophobicContact CG2-CD1 3.96Å; I27-L31 HydrophobicContact CG2-CG 4.42Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 3.41Å; V28-L31 PolarHBondContact O-N 3.5Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; L31-Y33 PolarHBondContact O-N 2.98Å; L31-I34 PolarHBondContact O-N 3.38Å; L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.35Å; L31-L35 PolarHBondContact O-N 3.38Å |
| 32 | I | 86.8 | Confident | 88.2 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.2 | -67.7 | 165.4 | 0 | 0 | 0 | 110.6 | V28 I29 F30 I34 L35 T36 I278 L282 | V28-I32 HydrophobicContact CG1-CD1 3.88Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.27Å; V28-I32 PolarHBondContact O-N 2.98Å; I29-I32 PolarHBondContact O-N 3.31Å; F30-I32 VanDerWaalsContact C-N 3.32Å; F30-I32 PolarHBondContact O-N 2.87Å; I32-I34 PolarHBondContact O-N 3.47Å; I32-L35 PolarHBondContact O-N 3.4Å; I32-T36 WeakPolarHBondContact O-CB 3.49Å; I32-T36 PolarHBondContact O-N 2.93Å; I32-T36 PolarHBondContact O-OG1 3.43Å; I32-I278 HydrophobicContact CB-CG2 4.17Å; I32-I278 HydrophobicContact CD1-CG2 4.02Å; I32-I278 HydrophobicContact CG2-CG2 3.24Å; I32-L282 HydrophobicContact CG1-CD2 4.19Å; I32-L282 HydrophobicContact CG2-CB 4.16Å; I32-L282 HydrophobicContact CG2-CD1 4.12Å; I32-L282 HydrophobicContact CG2-CD2 3.8Å; I32-L282 HydrophobicContact CG2-CG 4.23Å |
| 33 | Y | 90.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 14% | 0.137 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.1 | -52 | 177.8 | 178 | -126.1 | 0 | 0 | 0 | 111.9 | I29 F30 L31 L35 T36 L37 T73 I76 | I29-Y33 WeakPolarHBondContact O-CB 3.4Å; I29-Y33 PolarHBondContact O-N 2.96Å; F30-Y33 WeakPolarHBondContact O-CB 3.15Å; F30-Y33 PolarHBondContact O-N 2.85Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; L31-Y33 PolarHBondContact O-N 2.98Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.11Å; Y33-T36 PolarHBondContact O-N 3.46Å; Y33-L37 HydrophobicContact CD1-CD1 4.41Å; Y33-L37 HydrophobicContact CD2-CD1 4.38Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.85Å; Y33-L37 HydrophobicContact CE2-CD1 3.8Å; Y33-L37 HydrophobicContact CE2-CD2 3.95Å; Y33-L37 HydrophobicContact CE2-CG 3.83Å; Y33-L37 WeakPolarHBondContact O-CG 3.33Å; Y33-L37 PolarHBondContact O-N 3.4Å; Y33-T73 WeakPolarHBondContact OH-CG2 3.44Å; Y33-T73 PolarHBondContact OH-OG1 3.32Å; Y33-I76 HydrophobicContact CD2-CB 4.04Å; Y33-I76 HydrophobicContact CD2-CG1 4.42Å; Y33-I76 HydrophobicContact CD2-CG2 4.1Å; Y33-I76 HydrophobicContact CG-CB 4.4Å; Y33-I76 HydrophobicContact CG-CG2 3.97Å |
| 34 | I | 92.4 | Very high | 88.9 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.3 | -62 | -57.2 | 0 | 0 | 0 | 111.3 | F30 L31 I32 L37 S38 | F30-I34 HydrophobicContact CD1-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CG1 4.07Å; F30-I34 HydrophobicContact CE2-CD1 4.26Å; F30-I34 HydrophobicContact CE2-CG1 4.28Å; F30-I34 HydrophobicContact CZ-CD1 4.1Å; F30-I34 HydrophobicContact CZ-CG1 3.96Å; F30-I34 WeakPolarHBondContact O-CG1 3.36Å; F30-I34 PolarHBondContact O-N 3.15Å; L31-I34 PolarHBondContact O-N 3.38Å; I32-I34 PolarHBondContact O-N 3.47Å; I34-L37 PolarHBondContact O-N 3.08Å; I34-S38 VanDerWaalsContact O-CB 3.27Å; I34-S38 WeakPolarHBondContact O-CB 3.43Å; I34-S38 PolarHBondContact O-N 2.98Å; I34-S38 PolarHBondContact O-OG 3.31Å |
| 35 | L | 88.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.1 | -172.8 | 55.1 | 0 | 0 | 0 | 112.1 | L31 I32 Y33 S38 G39 L282 F286 | L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.35Å; L31-L35 PolarHBondContact O-N 3.38Å; I32-L35 PolarHBondContact O-N 3.4Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.11Å; L35-S38 PolarHBondContact O-N 3.15Å; L35-G39 PolarHBondContact O-N 3.48Å; L35-L282 HydrophobicContact CB-CD1 4.01Å; L35-L282 HydrophobicContact CD2-CD1 3.71Å; L35-L282 HydrophobicContact CG-CD1 3.73Å; L35-F286 HydrophobicContact CD1-CZ 3.95Å; L35-F286 HydrophobicContact CD2-CE2 4.18Å; L35-F286 HydrophobicContact CD2-CZ 3.89Å; L35-F286 HydrophobicContact CG-CE2 4.26Å; L35-F286 HydrophobicContact CG-CZ 3.95Å |
| 36 | T | 88.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | I32 Y33 S38 G39 N40 T72 P281 L282 | I32-T36 WeakPolarHBondContact O-CB 3.49Å; I32-T36 PolarHBondContact O-N 2.93Å; I32-T36 PolarHBondContact O-OG1 3.43Å; Y33-T36 PolarHBondContact O-N 3.46Å; T36-S38 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact O-N 3.23Å; T36-N40 WeakPolarHBondContact O-CB 3.41Å; T36-N40 PolarHBondContact O-N 2.91Å; T36-N40 PolarHBondContact O-ND2 3.08Å; T36-T72 HydrophobicContact CG2-CG2 4Å; T36-P281 HydrophobicContact CG2-CB 3.78Å; T36-L282 WeakPolarHBondContact OG1-CA 3.39Å |
| 37 | L | 92.4 | Very high | 89.4 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 176.2 | -69.2 | -172.3 | 0 | 0 | 0 | 111.6 | Y33 I34 G41 I69 | Y33-L37 HydrophobicContact CD1-CD1 4.41Å; Y33-L37 HydrophobicContact CD2-CD1 4.38Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.85Å; Y33-L37 HydrophobicContact CE2-CD1 3.8Å; Y33-L37 HydrophobicContact CE2-CD2 3.95Å; Y33-L37 HydrophobicContact CE2-CG 3.83Å; Y33-L37 WeakPolarHBondContact O-CG 3.33Å; Y33-L37 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 3.08Å; L37-G41 PolarHBondContact O-N 2.99Å; L37-I69 HydrophobicContact CD2-CB 4.1Å; L37-I69 HydrophobicContact CD2-CG1 4.03Å; L37-I69 HydrophobicContact CD2-CG2 3.72Å |
| 38 | S | 90 | Very high | 89.4 | Confident | 70 Ų | 70 | 52 Ų | 52 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | -178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | I34 L35 T36 L42 | I34-S38 VanDerWaalsContact O-CB 3.27Å; I34-S38 WeakPolarHBondContact O-CB 3.43Å; I34-S38 PolarHBondContact O-N 2.98Å; I34-S38 PolarHBondContact O-OG 3.31Å; L35-S38 PolarHBondContact O-N 3.15Å; T36-S38 PolarHBondContact O-N 2.86Å; S38-L42 WeakPolarHBondContact O-CB 3.49Å; S38-L42 PolarHBondContact O-N 3.43Å |
| 39 | G | 89.1 | Confident | 89.3 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L35 T36 L42 I43 | L35-G39 PolarHBondContact O-N 3.48Å; T36-G39 PolarHBondContact O-N 3.23Å; G39-L42 PolarHBondContact O-N 2.89Å; G39-I43 WeakPolarHBondContact O-CG1 3.46Å; G39-I43 PolarHBondContact O-N 3.5Å; G39-I43 VanDerWaalsContact O-N 3.09Å |
| 40 | N | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.5 | -82.3 | -53.8 | 0 | 0 | 0 | 112.4 | T36 L42 I43 I44 A65 E68 I69 | T36-N40 WeakPolarHBondContact O-CB 3.41Å; T36-N40 PolarHBondContact O-N 2.91Å; T36-N40 PolarHBondContact O-ND2 3.08Å; N40-L42 VanDerWaalsContact C-N 3.31Å; N40-L42 PolarHBondContact O-N 3.3Å; N40-I43 PolarHBondContact O-N 3.24Å; N40-I44 WeakPolarHBondContact O-CG1 2.97Å; N40-I44 PolarHBondContact O-N 3.48Å; N40-A65 HydrophobicContact CB-CB 3.96Å; N40-A65 VanDerWaalsContact OD1-CA 3.3Å; N40-A65 WeakPolarHBondContact OD1-CA 3.38Å; N40-A65 VanDerWaalsContact OD1-CB 3.29Å; N40-A65 WeakPolarHBondContact OD1-CB 3.41Å; N40-E68 PolarHBondContact ND2-OE2 3.44Å; N40-E68 PolarHBondContact OD1-OE2 3.27Å; N40-I69 HydrophobicContact CB-CD1 3.84Å; N40-I69 HydrophobicContact CB-CG1 3.71Å |
| 41 | G | 92.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L37 I44 F45 | L37-G41 PolarHBondContact O-N 2.99Å; G41-I44 PolarHBondContact O-N 2.89Å; G41-F45 WeakPolarHBondContact O-CB 3.26Å; G41-F45 PolarHBondContact O-N 2.93Å |
| 42 | L | 90 | Very high | 88.8 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.6 | -178.9 | 63.7 | 0 | 0 | 0 | 112.2 | S38 G39 N40 F45 I46 L299 | S38-L42 WeakPolarHBondContact O-CB 3.49Å; S38-L42 PolarHBondContact O-N 3.43Å; G39-L42 PolarHBondContact O-N 2.89Å; N40-L42 VanDerWaalsContact C-N 3.31Å; N40-L42 PolarHBondContact O-N 3.3Å; L42-F45 HydrophobicContact CD1-CD1 4.36Å; L42-F45 PolarHBondContact O-N 3.4Å; L42-I46 HydrophobicContact CD1-CD1 3.82Å; L42-I46 HydrophobicContact CD1-CG1 3.96Å; L42-I46 HydrophobicContact CD2-CD1 4.32Å; L42-I46 HydrophobicContact CG-CD1 3.71Å; L42-I46 HydrophobicContact CG-CG1 4.26Å; L42-I46 WeakPolarHBondContact O-CB 3.36Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.46Å; L42-I46 PolarHBondContact O-N 2.77Å; L42-L299 HydrophobicContact CD1-CD1 4.28Å; L42-L299 HydrophobicContact CD2-CD1 4.42Å |
| 43 | I | 89.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.4 | -52.1 | 174.3 | -70.2 | 165.6 | 0 | 0 | 0 | 110.4 | G39 N40 F45 I46 V47 L61 A65 P285 T289 | G39-I43 WeakPolarHBondContact O-CG1 3.46Å; G39-I43 PolarHBondContact O-N 3.5Å; G39-I43 VanDerWaalsContact O-N 3.09Å; N40-I43 PolarHBondContact O-N 3.24Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 3.41Å; I43-I46 PolarHBondContact O-N 3.04Å; I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.25Å; I43-V47 PolarHBondContact O-N 3.31Å; I43-L61 HydrophobicContact CG2-CD2 3.81Å; I43-L61 HydrophobicContact CG2-CG 3.9Å; I43-A65 HydrophobicContact CB-CB 4.4Å; I43-A65 HydrophobicContact CD1-CB 4.49Å; I43-A65 HydrophobicContact CG2-CB 4.35Å; I43-P285 HydrophobicContact CD1-CB 3.93Å; I43-P285 HydrophobicContact CD1-CG 4.07Å; I43-T289 HydrophobicContact CD1-CG2 4.46Å; I43-T289 HydrophobicContact CG1-CG2 3.71Å |
| 44 | I | 92.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | -179.5 | -64 | 168.3 | 0 | 0 | 0 | 109.8 | N40 G41 I46 V47 W48 C62 A65 F66 I69 | N40-I44 WeakPolarHBondContact O-CG1 2.97Å; N40-I44 PolarHBondContact O-N 3.48Å; G41-I44 PolarHBondContact O-N 2.89Å; I44-I46 PolarHBondContact O-N 3.19Å; I44-V47 PolarHBondContact O-N 3.41Å; I44-W48 WeakPolarHBondContact O-CB 3.4Å; I44-W48 PolarHBondContact O-N 2.91Å; I44-C62 HydrophobicContact CG1-CB 4.44Å; I44-A65 HydrophobicContact CD1-CB 4.22Å; I44-A65 HydrophobicContact CG1-CB 4.01Å; I44-F66 HydrophobicContact CD1-CB 4.23Å; I44-I69 HydrophobicContact CD1-CD1 4.29Å |
| 45 | F | 89.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 178.7 | 176.8 | -101.5 | 0 | 0 | 0 | 112.7 | G41 L42 I43 V47 W48 V49 | G41-F45 WeakPolarHBondContact O-CB 3.26Å; G41-F45 PolarHBondContact O-N 2.93Å; L42-F45 HydrophobicContact CD1-CD1 4.36Å; L42-F45 PolarHBondContact O-N 3.4Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 3.41Å; F45-V47 PolarHBondContact O-N 3.02Å; F45-W48 PolarHBondContact O-N 3.45Å; F45-V49 HydrophobicContact CD2-CG2 4.16Å; F45-V49 HydrophobicContact CE1-CG2 4.18Å; F45-V49 HydrophobicContact CE2-CG2 3.75Å; F45-V49 HydrophobicContact CZ-CG2 3.77Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.5Å |
| 46 | I | 86.3 | Confident | 88.3 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | -178.6 | -72.4 | 170.6 | 0 | 0 | 0 | 111.2 | L42 I43 I44 W48 V49 E50 L53 V295 A298 L299 | L42-I46 HydrophobicContact CD1-CD1 3.82Å; L42-I46 HydrophobicContact CD1-CG1 3.96Å; L42-I46 HydrophobicContact CD2-CD1 4.32Å; L42-I46 HydrophobicContact CG-CD1 3.71Å; L42-I46 HydrophobicContact CG-CG1 4.26Å; L42-I46 WeakPolarHBondContact O-CB 3.36Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.46Å; L42-I46 PolarHBondContact O-N 2.77Å; I43-I46 PolarHBondContact O-N 3.04Å; I44-I46 PolarHBondContact O-N 3.19Å; I46-W48 VanDerWaalsContact C-N 3.25Å; I46-W48 PolarHBondContact O-N 3.24Å; I46-V49 PolarHBondContact O-N 3Å; I46-E50 WeakPolarHBondContact O-CB 3.06Å; I46-E50 PolarHBondContact O-N 3.23Å; I46-L53 HydrophobicContact CG2-CD1 3.43Å; I46-L53 VanDerWaalsContact CG2-CD1 3.43Å; I46-V295 HydrophobicContact CD1-CG1 4.08Å; I46-V295 HydrophobicContact CG2-CG1 4.39Å; I46-A298 HydrophobicContact CG2-CB 3.78Å; I46-L299 HydrophobicContact CD1-CB 4.35Å; I46-L299 HydrophobicContact CD1-CD1 4.12Å |
| 47 | V | 88.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | I43 I44 F45 L53 Y58 C62 | I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.25Å; I43-V47 PolarHBondContact O-N 3.31Å; I44-V47 PolarHBondContact O-N 3.41Å; F45-V47 PolarHBondContact O-N 3.02Å; V47-L53 HydrophobicContact CG2-CB 4.48Å; V47-Y58 HydrophobicContact CG2-CD1 3.58Å; V47-Y58 HydrophobicContact CG2-CE1 4.44Å; V47-Y58 HydrophobicContact CG2-CG 4.1Å; V47-C62 VanDerWaalsContact CB-SG 3.59Å; V47-C62 VanDerWaalsContact CG1-SG 3.6Å |
| 48 | W | 88.4 | Confident | 88.3 | Confident | 195 Ų | 195 | 54 Ų | 54 | 74% | 0.739 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69 | -41.7 | 176.9 | -172.8 | 53 | 0 | 0 | 0 | 112.6 | I44 F45 I46 | I44-W48 WeakPolarHBondContact O-CB 3.4Å; I44-W48 PolarHBondContact O-N 2.91Å; F45-W48 PolarHBondContact O-N 3.45Å; I46-W48 VanDerWaalsContact C-N 3.25Å; I46-W48 PolarHBondContact O-N 3.24Å |
| 49 | V | 85.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -81.5 | -27.7 | -175.7 | 173.9 | 0 | 0 | 0 | 0 | 113.5 | F45 I46 P51 | F45-V49 HydrophobicContact CD2-CG2 4.16Å; F45-V49 HydrophobicContact CE1-CG2 4.18Å; F45-V49 HydrophobicContact CE2-CG2 3.75Å; F45-V49 HydrophobicContact CZ-CG2 3.77Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.5Å; I46-V49 PolarHBondContact O-N 3Å; V49-P51 WeakPolarHBondContact O-CD 3.47Å |
| 50 | E | 87.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | trans | -107 | 102.1 | -178.2 | 176.6 | 62.7 | -106.9 | 0 | 0 | 111.3 | I46 R52 L53 A298 | I46-E50 WeakPolarHBondContact O-CB 3.06Å; I46-E50 PolarHBondContact O-N 3.23Å; E50-R52 HydrophobicContact CG-CB 4.22Å; E50-R52 PolarHBondContact O-N 3.34Å; E50-R52 VanDerWaalsContact O-N 3.09Å; E50-R52 WeakPolarHBondContact OE1-CB 3.39Å; E50-R52 WeakPolarHBondContact OE1-CG 3.31Å; E50-R52 IonicContact OE1-CZ 3.57Å; E50-R52 PolarHBondContact OE1-N 3.07Å; E50-R52 IonicContact OE1-NE 2.76Å; E50-R52 PolarHBondContact OE1-NE 3.42Å; E50-R52 IonicContact OE1-NH2 3.53Å; E50-R52 IonicContact OE2-CZ 3.53Å; E50-R52 IonicContact OE2-NE 3.51Å; E50-R52 IonicContact OE2-NH2 2.71Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å; E50-L53 HydrophobicContact CB-CD1 4.01Å; E50-L53 HydrophobicContact CB-CG 4.22Å; E50-L53 HydrophobicContact CG-CB 4.36Å; E50-L53 HydrophobicContact CG-CD1 3.95Å; E50-L53 HydrophobicContact CG-CG 3.77Å; E50-L53 PolarHBondContact O-N 2.89Å; E50-A298 HydrophobicContact CB-CB 3.99Å; E50-A298 HydrophobicContact CG-CB 3.92Å | ||
| 51 | P | 83.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.9 | -178.4 | -26 | 35.1 | 0 | 0 | 0 | 113.7 | V49 L53 Q54 | V49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-L53 PolarHBondContact O-N 3.01Å; P51-Q54 WeakPolarHBondContact O-CB 3.32Å; P51-Q54 PolarHBondContact O-N 2.64Å |
| 52 | R | 83.3 | Confident | 88.9 | Confident | 155 Ų | 155 | 53.9 Ų | 53.9 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.9 | 178.1 | -65.1 | 178.9 | -68.2 | 165.6 | 10.9 | 113.1 | E50 | E50-R52 HydrophobicContact CG-CB 4.22Å; E50-R52 PolarHBondContact O-N 3.34Å; E50-R52 VanDerWaalsContact O-N 3.09Å; E50-R52 WeakPolarHBondContact OE1-CB 3.39Å; E50-R52 WeakPolarHBondContact OE1-CG 3.31Å; E50-R52 IonicContact OE1-CZ 3.57Å; E50-R52 PolarHBondContact OE1-N 3.07Å; E50-R52 IonicContact OE1-NE 2.76Å; E50-R52 PolarHBondContact OE1-NE 3.42Å; E50-R52 IonicContact OE1-NH2 3.53Å; E50-R52 IonicContact OE2-CZ 3.53Å; E50-R52 IonicContact OE2-NE 3.51Å; E50-R52 IonicContact OE2-NH2 2.71Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å |
| 53 | L | 81.4 | Confident | 89.2 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -88.6 | -5.2 | 176.2 | -64.5 | 176.2 | 0 | 0 | 0 | 112.6 | I46 V47 E50 P51 T55 Y58 E294 V295 A298 | I46-L53 HydrophobicContact CG2-CD1 3.43Å; I46-L53 VanDerWaalsContact CG2-CD1 3.43Å; V47-L53 HydrophobicContact CG2-CB 4.48Å; E50-L53 HydrophobicContact CB-CD1 4.01Å; E50-L53 HydrophobicContact CB-CG 4.22Å; E50-L53 HydrophobicContact CG-CB 4.36Å; E50-L53 HydrophobicContact CG-CD1 3.95Å; E50-L53 HydrophobicContact CG-CG 3.77Å; E50-L53 PolarHBondContact O-N 2.89Å; P51-L53 PolarHBondContact O-N 3.01Å; L53-T55 PolarHBondContact O-N 3.07Å; L53-Y58 HydrophobicContact CB-CD2 4.3Å; L53-Y58 HydrophobicContact CB-CG 4.41Å; L53-Y58 HydrophobicContact CD2-CD2 4.21Å; L53-Y58 HydrophobicContact CD2-CE1 4.37Å; L53-Y58 HydrophobicContact CD2-CE2 3.63Å; L53-Y58 WeakPolarHBondContact O-CB 3.37Å; L53-Y58 VanDerWaalsContact O-CD2 3.26Å; L53-Y58 WeakPolarHBondContact O-CD2 3.27Å; L53-Y58 VanDerWaalsContact O-CG 3.28Å; L53-E294 HydrophobicContact CD2-CB 3.87Å; L53-V295 HydrophobicContact CD1-CG2 4.36Å; L53-V295 HydrophobicContact CD2-CG2 4.42Å; L53-A298 HydrophobicContact CD1-CB 3.93Å |
| 54 | Q | 83.6 | Confident | 89.4 | Confident | 122 Ų | 122 | 51.9 Ų | 51.9 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | trans | -75.9 | 55.2 | 178.9 | -62.9 | -177.8 | -10.7 | 0 | 0 | 112.5 | P51 | P51-Q54 WeakPolarHBondContact O-CB 3.32Å; P51-Q54 PolarHBondContact O-N 2.64Å | ||
| 55 | T | 89.1 | Confident | 89.5 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -98.7 | 160.9 | 174 | 68.6 | 0 | 0 | 0 | 0 | 110.3 | L53 M57 Y58 F59 | L53-T55 PolarHBondContact O-N 3.07Å; T55-M57 VanDerWaalsContact C-N 3.28Å; T55-M57 PolarHBondContact O-N 3.36Å; T55-Y58 PolarHBondContact O-N 2.84Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.48Å; T55-F59 PolarHBondContact O-N 2.94Å |
| 56 | P | 92.3 | Very high | 89.8 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.5 | -42.6 | 178.9 | -33.6 | 39.6 | 0 | 0 | 0 | 115 | Y58 F59 F60 D119 Y130 M134 C139 | P56-Y58 PolarHBondContact O-N 3.01Å; P56-F59 WeakPolarHBondContact O-CB 3.4Å; P56-F59 PolarHBondContact O-N 3.09Å; P56-F60 WeakPolarHBondContact O-CD2 3.28Å; P56-F60 PolarHBondContact O-N 3.39Å; P56-F60 VanDerWaalsContact O-N 3.07Å; P56-D119 WeakPolarHBondContact CB-OD1 3.4Å; P56-Y130 WeakPolarHBondContact CG-OH 3.48Å; P56-M134 HydrophobicContact CB-CE 3.85Å; P56-M134 HydrophobicContact CG-CB 4.31Å; P56-C139 VanDerWaalsContact CB-SG 3.58Å |
| 57 | M | 91.6 | Very high | 90.2 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.1 | -177.9 | 66.8 | 178.5 | 0 | 0 | 112.8 | T55 F59 F60 L61 M116 R120 H242 Y288 | T55-M57 VanDerWaalsContact C-N 3.28Å; T55-M57 PolarHBondContact O-N 3.36Å; M57-F59 VanDerWaalsContact C-N 3.35Å; M57-F60 PolarHBondContact O-N 3.48Å; M57-L61 WeakPolarHBondContact O-CB 3.37Å; M57-L61 PolarHBondContact O-N 2.92Å; M57-M116 HydrophobicContact CE-CE 3.31Å; M57-M116 HydrophobicContact SD-CB 4.23Å; M57-M116 HydrophobicContact SD-CE 3.78Å; M57-M116 HydrophobicContact SD-CG 4.35Å; M57-R120 HydrophobicContact SD-CG 4.36Å; M57-H242 HydrophobicContact CE-CB 3.96Å; M57-Y288 HydrophobicContact CE-CE1 3.92Å |
| 58 | Y | 90.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.1 | -28.1 | 179.2 | -82.4 | -73.4 | 0 | 0 | 0 | 112.4 | V47 L53 T55 P56 L61 C62 N292 V295 | V47-Y58 HydrophobicContact CG2-CD1 3.58Å; V47-Y58 HydrophobicContact CG2-CE1 4.44Å; V47-Y58 HydrophobicContact CG2-CG 4.1Å; L53-Y58 HydrophobicContact CB-CD2 4.3Å; L53-Y58 HydrophobicContact CB-CG 4.41Å; L53-Y58 HydrophobicContact CD2-CD2 4.21Å; L53-Y58 HydrophobicContact CD2-CE1 4.37Å; L53-Y58 HydrophobicContact CD2-CE2 3.63Å; L53-Y58 WeakPolarHBondContact O-CB 3.37Å; L53-Y58 VanDerWaalsContact O-CD2 3.26Å; L53-Y58 WeakPolarHBondContact O-CD2 3.27Å; L53-Y58 VanDerWaalsContact O-CG 3.28Å; T55-Y58 PolarHBondContact O-N 2.84Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.48Å; P56-Y58 PolarHBondContact O-N 3.01Å; Y58-L61 HydrophobicContact CD1-CD2 3.78Å; Y58-L61 HydrophobicContact CE1-CD2 3.93Å; Y58-L61 PolarHBondContact O-N 3.11Å; Y58-C62 PolarHBondContact O-N 3.34Å; Y58-C62 PolarHBondContact O-SG 3.41Å; Y58-N292 VanDerWaalsContact OH-CG 3.27Å; Y58-N292 PolarHBondContact OH-ND2 3.16Å; Y58-V295 HydrophobicContact CE1-CG2 3.93Å; Y58-V295 WeakPolarHBondContact OH-CG2 2.91Å |
| 59 | F | 94.1 | Very high | 90.5 | Very high | 78 Ų | 78 | 40.9 Ų | 40.9 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 169.4 | 171 | -98 | 0 | 0 | 0 | 111.5 | T55 P56 M57 L61 C62 N63 C139 A143 | T55-F59 PolarHBondContact O-N 2.94Å; P56-F59 WeakPolarHBondContact O-CB 3.4Å; P56-F59 PolarHBondContact O-N 3.09Å; M57-F59 VanDerWaalsContact C-N 3.35Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 2.68Å; F59-C62 PolarHBondContact O-N 2.96Å; F59-N63 PolarHBondContact O-N 3.26Å; F59-N63 PolarHBondContact O-ND2 3.4Å; F59-C139 HydrophobicContact CD1-CB 3.9Å; F59-C139 HydrophobicContact CE1-CB 4.02Å; F59-C139 WeakPolarHBondContact CE1-O 3.2Å; F59-A143 HydrophobicContact CE1-CB 3.69Å; F59-A143 HydrophobicContact CZ-CB 4.07Å |
| 60 | F | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 173.4 | -65 | -60.6 | 0 | 0 | 0 | 112.2 | P56 M57 C62 N63 L64 I112 M116 D119 M134 C139 L142 A143 | P56-F60 WeakPolarHBondContact O-CD2 3.28Å; P56-F60 PolarHBondContact O-N 3.39Å; P56-F60 VanDerWaalsContact O-N 3.07Å; M57-F60 PolarHBondContact O-N 3.48Å; F60-C62 VanDerWaalsContact C-N 3.3Å; F60-C62 PolarHBondContact O-N 3.39Å; F60-N63 WeakPolarHBondContact O-CB 3.26Å; F60-N63 PolarHBondContact O-N 3.12Å; F60-N63 VanDerWaalsContact O-N 3.15Å; F60-L64 PolarHBondContact O-N 3.48Å; F60-I112 HydrophobicContact CB-CG2 4.39Å; F60-M116 HydrophobicContact CB-CG 3.55Å; F60-M116 HydrophobicContact CB-SD 4.16Å; F60-M116 HydrophobicContact CD2-CG 4.49Å; F60-M116 HydrophobicContact CG-CG 4.22Å; F60-D119 HydrophobicContact CE2-CB 4.48Å; F60-M134 HydrophobicContact CE2-CE 3.73Å; F60-M134 HydrophobicContact CZ-CE 4.24Å; F60-C139 HydrophobicContact CZ-CB 4.19Å; F60-L142 HydrophobicContact CE1-CB 3.97Å; F60-L142 HydrophobicContact CZ-CB 3.94Å; F60-L142 HydrophobicContact CZ-CD1 4.03Å; F60-A143 HydrophobicContact CD1-CB 4.47Å; F60-A143 HydrophobicContact CE1-CB 4.21Å |
| 61 | L | 92.6 | Very high | 91 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 175.2 | -173.9 | 64.4 | 0 | 0 | 0 | 112.3 | I43 M57 Y58 F59 L64 A65 M116 Y288 | I43-L61 HydrophobicContact CG2-CD2 3.81Å; I43-L61 HydrophobicContact CG2-CG 3.9Å; M57-L61 WeakPolarHBondContact O-CB 3.37Å; M57-L61 PolarHBondContact O-N 2.92Å; Y58-L61 HydrophobicContact CD1-CD2 3.78Å; Y58-L61 HydrophobicContact CE1-CD2 3.93Å; Y58-L61 PolarHBondContact O-N 3.11Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 2.68Å; L61-L64 HydrophobicContact CD1-CD2 4.35Å; L61-L64 PolarHBondContact O-N 3.24Å; L61-A65 VanDerWaalsContact O-CB 3.3Å; L61-A65 WeakPolarHBondContact O-CB 3.13Å; L61-A65 PolarHBondContact O-N 3.06Å; L61-M116 HydrophobicContact CB-CE 4.45Å; L61-M116 HydrophobicContact CD1-CE 4.34Å; L61-Y288 HydrophobicContact CD1-CD1 4.06Å; L61-Y288 HydrophobicContact CD1-CD2 3.34Å; L61-Y288 HydrophobicContact CD1-CE1 4.17Å; L61-Y288 HydrophobicContact CD1-CE2 3.44Å; L61-Y288 VanDerWaalsContact CD1-CE2 3.44Å; L61-Y288 HydrophobicContact CD1-CG 3.67Å; L61-Y288 HydrophobicContact CD2-CD1 4.09Å; L61-Y288 HydrophobicContact CD2-CD2 4.36Å; L61-Y288 HydrophobicContact CD2-CG 3.86Å; L61-Y288 HydrophobicContact CG-CD2 4.49Å; L61-Y288 HydrophobicContact CG-CG 4.45Å |
| 62 | C | 94.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.1 | -68.6 | 0 | 0 | 0 | 0 | 112 | I44 V47 Y58 F59 F60 A65 F66 | I44-C62 HydrophobicContact CG1-CB 4.44Å; V47-C62 VanDerWaalsContact CB-SG 3.59Å; V47-C62 VanDerWaalsContact CG1-SG 3.6Å; Y58-C62 PolarHBondContact O-N 3.34Å; Y58-C62 PolarHBondContact O-SG 3.41Å; F59-C62 PolarHBondContact O-N 2.96Å; F60-C62 VanDerWaalsContact C-N 3.3Å; F60-C62 PolarHBondContact O-N 3.39Å; C62-A65 PolarHBondContact O-N 2.96Å; C62-F66 WeakPolarHBondContact O-CB 3.26Å; C62-F66 PolarHBondContact O-N 2.82Å |
| 63 | N | 96.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.9 | -78.8 | -94 | 0 | 0 | 0 | 111.1 | F59 F60 F66 L67 I112 W147 | F59-N63 PolarHBondContact O-N 3.26Å; F59-N63 PolarHBondContact O-ND2 3.4Å; F60-N63 WeakPolarHBondContact O-CB 3.26Å; F60-N63 PolarHBondContact O-N 3.12Å; F60-N63 VanDerWaalsContact O-N 3.15Å; N63-F66 PolarHBondContact O-N 3.26Å; N63-L67 VanDerWaalsContact O-CB 3.29Å; N63-L67 WeakPolarHBondContact O-CB 3.19Å; N63-L67 PolarHBondContact O-N 3.26Å; N63-I112 HydrophobicContact CB-CD1 3.95Å; N63-W147 PolarHBondContact OD1-NE1 3.43Å |
| 64 | L | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.9 | -176.4 | 63.9 | 0 | 0 | 0 | 111.5 | F60 L61 F66 L67 E68 E109 I112 L113 M116 | F60-L64 PolarHBondContact O-N 3.48Å; L61-L64 HydrophobicContact CD1-CD2 4.35Å; L61-L64 PolarHBondContact O-N 3.24Å; L64-F66 PolarHBondContact O-N 2.93Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 2.96Å; L64-E68 WeakPolarHBondContact CG-OE1 3.29Å; L64-E68 WeakPolarHBondContact O-CG 3.5Å; L64-E68 PolarHBondContact O-N 3.09Å; L64-E109 HydrophobicContact CD1-CG 3.8Å; L64-I112 HydrophobicContact CB-CG2 4.18Å; L64-L113 HydrophobicContact CD2-CD2 4.13Å; L64-M116 HydrophobicContact CD2-SD 4.18Å |
| 65 | A | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N40 I43 I44 L61 C62 E68 I69 | N40-A65 HydrophobicContact CB-CB 3.96Å; N40-A65 VanDerWaalsContact OD1-CA 3.3Å; N40-A65 WeakPolarHBondContact OD1-CA 3.38Å; N40-A65 VanDerWaalsContact OD1-CB 3.29Å; N40-A65 WeakPolarHBondContact OD1-CB 3.41Å; I43-A65 HydrophobicContact CB-CB 4.4Å; I43-A65 HydrophobicContact CD1-CB 4.49Å; I43-A65 HydrophobicContact CG2-CB 4.35Å; I44-A65 HydrophobicContact CD1-CB 4.22Å; I44-A65 HydrophobicContact CG1-CB 4.01Å; L61-A65 VanDerWaalsContact O-CB 3.3Å; L61-A65 WeakPolarHBondContact O-CB 3.13Å; L61-A65 PolarHBondContact O-N 3.06Å; C62-A65 PolarHBondContact O-N 2.96Å; A65-E68 PolarHBondContact O-N 3.28Å; A65-I69 WeakPolarHBondContact O-CG1 3.49Å; A65-I69 PolarHBondContact O-N 3.44Å |
| 66 | F | 95.3 | Very high | 92.3 | Very high | 97 Ų | 97 | 27 Ų | 27 | 43% | 0.425 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.3 | -51.4 | 172.8 | 178.8 | -100.5 | 0 | 0 | 0 | 110.1 | I44 C62 N63 L64 E68 I69 W70 W147 | I44-F66 HydrophobicContact CD1-CB 4.23Å; C62-F66 WeakPolarHBondContact O-CB 3.26Å; C62-F66 PolarHBondContact O-N 2.82Å; N63-F66 PolarHBondContact O-N 3.26Å; L64-F66 PolarHBondContact O-N 2.93Å; F66-E68 VanDerWaalsContact C-N 3.31Å; F66-E68 PolarHBondContact O-N 3.46Å; F66-I69 WeakPolarHBondContact O-CB 3.39Å; F66-I69 PolarHBondContact O-N 2.84Å; F66-W70 AromaticContact CD1-CD1 3.84Å; F66-W70 AromaticContact CD2-NE1 3.67Å; F66-W70 AromaticContact CE1-CD1 3.62Å; F66-W70 AromaticContact CE1-NE1 3.45Å; F66-W70 AromaticContact CE2-CD1 3.86Å; F66-W70 AromaticContact CE2-NE1 3.08Å; F66-W70 AromaticContact CZ-CD1 3.65Å; F66-W70 AromaticContact CZ-CE2 3.81Å; F66-W70 HydrophobicContact CZ-CZ2 4.25Å; F66-W70 AromaticContact CZ-NE1 2.96Å; F66-W70 PolarHBondContact O-N 3.42Å; F66-W147 AromaticContact CD1-CH2 4Å; F66-W147 HydrophobicContact CD1-CH2 4Å; F66-W147 HydrophobicContact CD1-CZ2 4Å; F66-W147 HydrophobicContact CE1-CH2 4.3Å |
| 67 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.4 | -45.9 | 177.9 | -177 | 158.6 | 0 | 0 | 0 | 112.2 | N63 L64 I69 W70 Y71 L105 T108 E109 I112 W147 | N63-L67 VanDerWaalsContact O-CB 3.29Å; N63-L67 WeakPolarHBondContact O-CB 3.19Å; N63-L67 PolarHBondContact O-N 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 2.96Å; L67-I69 VanDerWaalsContact C-N 3.34Å; L67-I69 PolarHBondContact O-N 3.34Å; L67-W70 PolarHBondContact O-N 3.31Å; L67-Y71 VanDerWaalsContact O-CB 3.29Å; L67-Y71 WeakPolarHBondContact O-CB 3.34Å; L67-Y71 PolarHBondContact O-N 3.21Å; L67-L105 WeakPolarHBondContact CD1-O 3.3Å; L67-L105 HydrophobicContact CD2-CB 4.14Å; L67-L105 WeakPolarHBondContact CD2-O 3.41Å; L67-L105 HydrophobicContact CG-CB 4.13Å; L67-L105 HydrophobicContact CG-CD2 3.91Å; L67-T108 HydrophobicContact CD1-CG2 3.6Å; L67-E109 HydrophobicContact CD1-CB 4.3Å; L67-E109 HydrophobicContact CD2-CB 3.92Å; L67-E109 HydrophobicContact CD2-CG 4.48Å; L67-I112 HydrophobicContact CD1-CD1 4.01Å; L67-W147 HydrophobicContact CB-CH2 3.87Å; L67-W147 HydrophobicContact CB-CZ2 4.18Å; L67-W147 HydrophobicContact CD1-CH2 4.09Å; L67-W147 HydrophobicContact CD1-CZ2 4.42Å; L67-W147 HydrophobicContact CD1-CZ3 4.49Å; L67-W147 HydrophobicContact CG-CH2 4.16Å |
| 68 | E | 90.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 179.8 | -78.6 | 176 | -155.3 | 0 | 0 | 113.4 | N40 L64 A65 F66 W70 Y71 T72 P281 N284 | N40-E68 PolarHBondContact ND2-OE2 3.44Å; N40-E68 PolarHBondContact OD1-OE2 3.27Å; L64-E68 WeakPolarHBondContact CG-OE1 3.29Å; L64-E68 WeakPolarHBondContact O-CG 3.5Å; L64-E68 PolarHBondContact O-N 3.09Å; A65-E68 PolarHBondContact O-N 3.28Å; F66-E68 VanDerWaalsContact C-N 3.31Å; F66-E68 PolarHBondContact O-N 3.46Å; E68-W70 VanDerWaalsContact C-N 3.35Å; E68-Y71 PolarHBondContact O-N 2.84Å; E68-T72 WeakPolarHBondContact O-CB 3.45Å; E68-T72 WeakPolarHBondContact O-CG2 3.38Å; E68-T72 PolarHBondContact O-N 3.36Å; E68-T72 PolarHBondContact O-OG1 2.93Å; E68-P281 HydrophobicContact CB-CB 4.21Å; E68-P281 HydrophobicContact CG-CB 4.06Å; E68-P281 HydrophobicContact CG-CG 4.42Å; E68-P281 WeakPolarHBondContact OE2-CA 3.43Å; E68-N284 PolarHBondContact OE1-ND2 2.85Å |
| 69 | I | 93.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 28.5 Ų | 28.5 | 20% | 0.195 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 174 | -74.5 | 164.5 | 0 | 0 | 0 | 110.3 | L37 N40 I44 A65 F66 L67 T72 T73 | L37-I69 HydrophobicContact CD2-CB 4.1Å; L37-I69 HydrophobicContact CD2-CG1 4.03Å; L37-I69 HydrophobicContact CD2-CG2 3.72Å; N40-I69 HydrophobicContact CB-CD1 3.84Å; N40-I69 HydrophobicContact CB-CG1 3.71Å; I44-I69 HydrophobicContact CD1-CD1 4.29Å; A65-I69 WeakPolarHBondContact O-CG1 3.49Å; A65-I69 PolarHBondContact O-N 3.44Å; F66-I69 WeakPolarHBondContact O-CB 3.39Å; F66-I69 PolarHBondContact O-N 2.84Å; L67-I69 VanDerWaalsContact C-N 3.34Å; L67-I69 PolarHBondContact O-N 3.34Å; I69-T72 PolarHBondContact O-OG1 3.18Å; I69-T72 VanDerWaalsContact O-OG1 3.13Å; I69-T73 VanDerWaalsContact O-CB 3.22Å; I69-T73 WeakPolarHBondContact O-CB 3.35Å; I69-T73 PolarHBondContact O-N 3.04Å; I69-T73 PolarHBondContact O-OG1 3.29Å |
| 70 | W | 93.9 | Very high | 91.7 | Very high | 123 Ų | 123 | 25.4 Ų | 25.4 | 47% | 0.466 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -70.1 | -39.4 | 179.5 | -70.9 | 95.9 | 0 | 0 | 0 | 112.3 | F66 L67 E68 T73 T74 L105 | F66-W70 AromaticContact CD1-CD1 3.84Å; F66-W70 AromaticContact CD2-NE1 3.67Å; F66-W70 AromaticContact CE1-CD1 3.62Å; F66-W70 AromaticContact CE1-NE1 3.45Å; F66-W70 AromaticContact CE2-CD1 3.86Å; F66-W70 AromaticContact CE2-NE1 3.08Å; F66-W70 AromaticContact CZ-CD1 3.65Å; F66-W70 AromaticContact CZ-CE2 3.81Å; F66-W70 HydrophobicContact CZ-CZ2 4.25Å; F66-W70 AromaticContact CZ-NE1 2.96Å; F66-W70 PolarHBondContact O-N 3.42Å; L67-W70 PolarHBondContact O-N 3.31Å; E68-W70 VanDerWaalsContact C-N 3.35Å; W70-T73 PolarHBondContact O-N 3.46Å; W70-T74 WeakPolarHBondContact O-CB 3.34Å; W70-T74 PolarHBondContact O-N 3.37Å; W70-T74 PolarHBondContact O-OG1 2.81Å; W70-L105 HydrophobicContact CB-CD1 3.64Å; W70-L105 HydrophobicContact CB-CD2 4.23Å |
| 71 | Y | 89.8 | Confident | 91.3 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | -178.4 | 179.9 | -95.2 | 0 | 0 | 0 | 110.5 | L67 E68 T74 H102 L105 T277 | L67-Y71 VanDerWaalsContact O-CB 3.29Å; L67-Y71 WeakPolarHBondContact O-CB 3.34Å; L67-Y71 PolarHBondContact O-N 3.21Å; E68-Y71 PolarHBondContact O-N 2.84Å; Y71-T74 PolarHBondContact O-N 3.45Å; Y71-H102 AromaticContact CE2-CE1 3.66Å; Y71-H102 AromaticContact CE2-ND1 3.5Å; Y71-H102 WeakPolarHBondContact CE2-O 3.46Å; Y71-H102 AromaticContact CZ-CE1 3.48Å; Y71-H102 VanDerWaalsContact CZ-CE1 3.48Å; Y71-H102 AromaticContact CZ-ND1 3.71Å; Y71-H102 PolarHBondContact OH-CE1 2.78Å; Y71-L105 HydrophobicContact CD2-CB 3.84Å; Y71-L105 HydrophobicContact CG-CB 4.49Å; Y71-T277 HydrophobicContact CD1-CG2 4.4Å; Y71-T277 HydrophobicContact CE1-CG2 3.6Å |
| 72 | T | 89.8 | Confident | 91 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112 | T36 E68 I69 T74 V75 I76 P281 | T36-T72 HydrophobicContact CG2-CG2 4Å; E68-T72 WeakPolarHBondContact O-CB 3.45Å; E68-T72 WeakPolarHBondContact O-CG2 3.38Å; E68-T72 PolarHBondContact O-N 3.36Å; E68-T72 PolarHBondContact O-OG1 2.93Å; I69-T72 PolarHBondContact O-OG1 3.18Å; I69-T72 VanDerWaalsContact O-OG1 3.13Å; T72-T74 PolarHBondContact O-N 3.47Å; T72-V75 PolarHBondContact O-N 3.47Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T72-I76 WeakPolarHBondContact O-CB 3.33Å; T72-I76 VanDerWaalsContact O-CG1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 3.38Å; T72-I76 PolarHBondContact O-N 3.21Å; T72-P281 HydrophobicContact CG2-CB 3.82Å; T72-P281 HydrophobicContact CG2-CG 4.04Å |
| 73 | T | 92.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 33% | 0.325 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.1 | -27.2 | 177.6 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | Y33 I69 W70 V75 P77 | Y33-T73 WeakPolarHBondContact OH-CG2 3.44Å; Y33-T73 PolarHBondContact OH-OG1 3.32Å; I69-T73 VanDerWaalsContact O-CB 3.22Å; I69-T73 WeakPolarHBondContact O-CB 3.35Å; I69-T73 PolarHBondContact O-N 3.04Å; I69-T73 PolarHBondContact O-OG1 3.29Å; W70-T73 PolarHBondContact O-N 3.46Å; T73-V75 VanDerWaalsContact C-N 3.33Å; T73-V75 PolarHBondContact O-N 2.83Å; T73-P77 WeakPolarHBondContact O-CD 3.45Å; T73-P77 VanDerWaalsContact O-CG 3.28Å; T73-P77 WeakPolarHBondContact O-CG 3.47Å |
| 74 | T | 90.7 | Very high | 89.9 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.9 | -32.4 | 176 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | W70 Y71 T72 Q98 F101 H102 | W70-T74 WeakPolarHBondContact O-CB 3.34Å; W70-T74 PolarHBondContact O-N 3.37Å; W70-T74 PolarHBondContact O-OG1 2.81Å; Y71-T74 PolarHBondContact O-N 3.45Å; T72-T74 PolarHBondContact O-N 3.47Å; T74-Q98 HydrophobicContact CG2-CB 4.47Å; T74-Q98 HydrophobicContact CG2-CG 3.73Å; T74-Q98 VanDerWaalsContact CG2-O 3.31Å; T74-Q98 WeakPolarHBondContact CG2-O 3.22Å; T74-Q98 WeakPolarHBondContact O-CG 3.29Å; T74-Q98 PolarHBondContact O-NE2 2.92Å; T74-F101 HydrophobicContact CG2-CB 3.91Å; T74-H102 HydrophobicContact CG2-CB 4.3Å |
| 75 | V | 87.1 | Confident | 89.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -105.8 | -47.6 | -170.4 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | T72 T73 K78 L79 H102 F175 Y176 T277 | T72-V75 PolarHBondContact O-N 3.47Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T73-V75 VanDerWaalsContact C-N 3.33Å; T73-V75 PolarHBondContact O-N 2.83Å; V75-K78 PolarHBondContact O-N 3.42Å; V75-L79 PolarHBondContact O-N 2.98Å; V75-L79 VanDerWaalsContact O-N 3.09Å; V75-H102 VanDerWaalsContact CG2-ND1 3.3Å; V75-H102 WeakPolarHBondContact CG2-ND1 3.4Å; V75-F175 HydrophobicContact CG1-CD2 4.16Å; V75-F175 HydrophobicContact CG1-CE2 3.69Å; V75-Y176 HydrophobicContact CG1-CD1 3.79Å; V75-Y176 HydrophobicContact CG1-CG 4.24Å; V75-T277 HydrophobicContact CB-CG2 4.19Å; V75-T277 HydrophobicContact CG1-CG2 4.07Å; V75-T277 HydrophobicContact CG2-CG2 4.21Å |
| 76 | I | 88.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | -165.1 | -57 | -59.1 | 0 | 0 | 0 | 114.1 | I29 Y33 T72 K78 L79 L80 I278 | I29-I76 HydrophobicContact CG2-CG2 3.69Å; Y33-I76 HydrophobicContact CD2-CB 4.04Å; Y33-I76 HydrophobicContact CD2-CG1 4.42Å; Y33-I76 HydrophobicContact CD2-CG2 4.1Å; Y33-I76 HydrophobicContact CG-CB 4.4Å; Y33-I76 HydrophobicContact CG-CG2 3.97Å; T72-I76 WeakPolarHBondContact O-CB 3.33Å; T72-I76 VanDerWaalsContact O-CG1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 3.38Å; T72-I76 PolarHBondContact O-N 3.21Å; I76-K78 VanDerWaalsContact C-N 3.27Å; I76-K78 PolarHBondContact O-N 3.34Å; I76-L79 HydrophobicContact CD1-CD2 4.14Å; I76-L79 WeakPolarHBondContact O-CB 3.45Å; I76-L79 PolarHBondContact O-N 3.15Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.13Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.4Å; I76-I278 HydrophobicContact CD1-CD1 3.68Å; I76-I278 HydrophobicContact CD1-CG1 3.52Å |
| 77 | P | 90.4 | Very high | 88.1 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 176.5 | -27.1 | 36.9 | 0 | 0 | 0 | 112.6 | T73 L80 E81 | T73-P77 WeakPolarHBondContact O-CD 3.45Å; T73-P77 VanDerWaalsContact O-CG 3.28Å; T73-P77 WeakPolarHBondContact O-CG 3.47Å; P77-L80 PolarHBondContact O-N 3.37Å; P77-E81 PolarHBondContact O-N 2.91Å; P77-E81 VanDerWaalsContact O-N 3.11Å |
| 78 | K | 88.7 | Confident | 87.6 | Confident | 33 Ų | 33 | 43 Ų | 43 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | 178.8 | -159.6 | 71.4 | -170.3 | 167.1 | 0 | 112 | L12 V75 I76 L80 E81 T82 T88 V89 I90 | L12-K78 HydrophobicContact CD1-CD 4.35Å; L12-K78 HydrophobicContact CD1-CG 3.59Å; V75-K78 PolarHBondContact O-N 3.42Å; I76-K78 VanDerWaalsContact C-N 3.27Å; I76-K78 PolarHBondContact O-N 3.34Å; K78-L80 VanDerWaalsContact C-N 3.34Å; K78-E81 VanDerWaalsContact CD-OE2 3.27Å; K78-E81 WeakPolarHBondContact CD-OE2 3.48Å; K78-E81 VanDerWaalsContact CE-OE2 3.29Å; K78-E81 WeakPolarHBondContact CE-OE2 3.45Å; K78-E81 IonicContact NZ-OE1 3.06Å; K78-E81 PolarHBondContact NZ-OE1 3.48Å; K78-E81 IonicContact NZ-OE2 2.68Å; K78-E81 PolarHBondContact NZ-OE2 3.26Å; K78-E81 WeakPolarHBondContact O-CB 3.17Å; K78-E81 PolarHBondContact O-N 3.43Å; K78-T82 WeakPolarHBondContact O-CG2 3.49Å; K78-T82 PolarHBondContact O-N 3.46Å; K78-T88 HydrophobicContact CD-CG2 4.38Å; K78-T88 VanDerWaalsContact CE-CG2 3.42Å; K78-V89 PolarHBondContact NZ-O 3.33Å; K78-I90 HydrophobicContact CD-CD1 4.39Å |
| 79 | L | 86.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 171.2 | 172.8 | 58.8 | 0 | 0 | 0 | 111.4 | F15 I29 V75 I76 E81 T82 F83 F175 V274 I278 | F15-L79 HydrophobicContact CD2-CD1 4.26Å; F15-L79 HydrophobicContact CE2-CD1 3.84Å; I29-L79 HydrophobicContact CD1-CD2 4.13Å; I29-L79 HydrophobicContact CG2-CD2 4.16Å; V75-L79 PolarHBondContact O-N 2.98Å; V75-L79 VanDerWaalsContact O-N 3.09Å; I76-L79 HydrophobicContact CD1-CD2 4.14Å; I76-L79 WeakPolarHBondContact O-CB 3.45Å; I76-L79 PolarHBondContact O-N 3.15Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 3.28Å; L79-T82 WeakPolarHBondContact O-CB 3.47Å; L79-T82 PolarHBondContact O-N 3.13Å; L79-T82 VanDerWaalsContact O-N 3.09Å; L79-T82 PolarHBondContact O-OG1 3.37Å; L79-F83 HydrophobicContact CD1-CE2 3.94Å; L79-F83 HydrophobicContact CD1-CZ 3.85Å; L79-F83 HydrophobicContact CG-CE2 4Å; L79-F83 HydrophobicContact CG-CZ 4.38Å; L79-F175 HydrophobicContact CB-CD2 4Å; L79-F175 HydrophobicContact CD1-CB 3.7Å; L79-F175 HydrophobicContact CD1-CD2 3.7Å; L79-F175 HydrophobicContact CD1-CG 3.85Å; L79-F175 HydrophobicContact CD2-CD2 4.05Å; L79-F175 HydrophobicContact CD2-CE2 4.14Å; L79-F175 HydrophobicContact CG-CD2 4.12Å; L79-V274 HydrophobicContact CD2-CG2 4.24Å; L79-I278 HydrophobicContact CD2-CD1 4.24Å |
| 80 | L | 88.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -40 | 178.4 | -72.7 | 172.1 | 0 | 0 | 0 | 112 | F26 I29 F30 I76 P77 K78 T82 F83 | F26-L80 HydrophobicContact CD2-CB 4.07Å; F26-L80 HydrophobicContact CD2-CD2 3.76Å; F26-L80 WeakPolarHBondContact CD2-O 3.35Å; F26-L80 HydrophobicContact CE2-CB 3.8Å; F26-L80 HydrophobicContact CE2-CD2 4.03Å; F26-L80 HydrophobicContact CE2-CG 4.4Å; F26-L80 HydrophobicContact CG-CD2 4.13Å; F26-L80 WeakPolarHBondContact O-CD2 3.42Å; I29-L80 HydrophobicContact CB-CD2 3.95Å; I29-L80 HydrophobicContact CG2-CD2 3.74Å; I29-L80 HydrophobicContact CG2-CG 4.2Å; F30-L80 HydrophobicContact CB-CD1 4.25Å; F30-L80 HydrophobicContact CB-CD2 4.1Å; F30-L80 HydrophobicContact CD2-CD1 3.87Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.13Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.4Å; P77-L80 PolarHBondContact O-N 3.37Å; K78-L80 VanDerWaalsContact C-N 3.34Å; L80-T82 PolarHBondContact O-N 2.71Å; L80-F83 PolarHBondContact O-N 3.29Å; L80-F83 VanDerWaalsContact O-N 3.09Å |
| 81 | E | 87.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.3 | -38.8 | 174.3 | -167.2 | -174.7 | 151 | 0 | 0 | 111.7 | P77 K78 L79 F83 V84 V85 T88 | P77-E81 PolarHBondContact O-N 2.91Å; P77-E81 VanDerWaalsContact O-N 3.11Å; K78-E81 VanDerWaalsContact CD-OE2 3.27Å; K78-E81 WeakPolarHBondContact CD-OE2 3.48Å; K78-E81 VanDerWaalsContact CE-OE2 3.29Å; K78-E81 WeakPolarHBondContact CE-OE2 3.45Å; K78-E81 IonicContact NZ-OE1 3.06Å; K78-E81 PolarHBondContact NZ-OE1 3.48Å; K78-E81 IonicContact NZ-OE2 2.68Å; K78-E81 PolarHBondContact NZ-OE2 3.26Å; K78-E81 WeakPolarHBondContact O-CB 3.17Å; K78-E81 PolarHBondContact O-N 3.43Å; L79-E81 VanDerWaalsContact C-N 3.3Å; L79-E81 PolarHBondContact O-N 3.28Å; E81-F83 PolarHBondContact O-N 2.97Å; E81-F83 VanDerWaalsContact O-N 3.08Å; E81-V84 PolarHBondContact O-N 2.89Å; E81-V85 HydrophobicContact CG-CG1 4.27Å; E81-V85 HydrophobicContact CG-CG2 3.99Å; E81-V85 WeakPolarHBondContact O-CG2 3.46Å; E81-V85 PolarHBondContact O-N 2.64Å; E81-T88 HydrophobicContact CB-CG2 4.48Å; E81-T88 HydrophobicContact CG-CG2 4.26Å |
| 82 | T | 84.8 | Confident | 87.2 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -16.5 | 178.6 | 73.7 | 0 | 0 | 0 | 0 | 115 | K78 L79 L80 T88 | K78-T82 WeakPolarHBondContact O-CG2 3.49Å; K78-T82 PolarHBondContact O-N 3.46Å; L79-T82 WeakPolarHBondContact O-CB 3.47Å; L79-T82 PolarHBondContact O-N 3.13Å; L79-T82 VanDerWaalsContact O-N 3.09Å; L79-T82 PolarHBondContact O-OG1 3.37Å; L80-T82 PolarHBondContact O-N 2.71Å; T82-T88 VanDerWaalsContact CA-OG1 3.32Å; T82-T88 WeakPolarHBondContact CA-OG1 3.06Å; T82-T88 HydrophobicContact CG2-CG2 4Å |
| 83 | F | 83.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -91.2 | -17.6 | 175.2 | -59.1 | -53.9 | 0 | 0 | 0 | 113.4 | F15 Q22 L25 F26 I29 L79 L80 E81 | F15-F83 HydrophobicContact CD2-CE1 4.22Å; F15-F83 HydrophobicContact CD2-CZ 4.3Å; Q22-F83 HydrophobicContact CB-CB 4.25Å; Q22-F83 HydrophobicContact CB-CD1 4.46Å; Q22-F83 HydrophobicContact CG-CD1 4.34Å; L25-F83 HydrophobicContact CB-CE1 4.18Å; L25-F83 HydrophobicContact CB-CE2 4.35Å; L25-F83 HydrophobicContact CB-CZ 4.09Å; L25-F83 HydrophobicContact CD1-CE1 4.04Å; L25-F83 HydrophobicContact CD1-CZ 4.37Å; F26-F83 HydrophobicContact CB-CB 4.13Å; F26-F83 HydrophobicContact CB-CD2 4.29Å; F26-F83 HydrophobicContact CD2-CB 4.28Å; I29-F83 HydrophobicContact CD1-CE2 3.45Å; I29-F83 VanDerWaalsContact CD1-CE2 3.45Å; I29-F83 HydrophobicContact CD1-CZ 3.72Å; L79-F83 HydrophobicContact CD1-CE2 3.94Å; L79-F83 HydrophobicContact CD1-CZ 3.85Å; L79-F83 HydrophobicContact CG-CE2 4Å; L79-F83 HydrophobicContact CG-CZ 4.38Å; L80-F83 PolarHBondContact O-N 3.29Å; L80-F83 VanDerWaalsContact O-N 3.09Å; E81-F83 PolarHBondContact O-N 2.97Å; E81-F83 VanDerWaalsContact O-N 3.08Å |
| 84 | V | 85.2 | Confident | 87.2 | Confident | 104 Ų | 104 | 43.8 Ų | 43.8 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -101.1 | -42 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | F26 E81 | F26-V84 HydrophobicContact CD2-CG2 3.63Å; F26-V84 HydrophobicContact CE2-CG2 3.49Å; F26-V84 VanDerWaalsContact CE2-CG2 3.49Å; F26-V84 HydrophobicContact CZ-CG2 4.37Å; E81-V84 PolarHBondContact O-N 2.89Å |
| 85 | V | 84.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | trans | -98.3 | 145 | -176.2 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | E81 K87 T88 | E81-V85 HydrophobicContact CG-CG1 4.27Å; E81-V85 HydrophobicContact CG-CG2 3.99Å; E81-V85 WeakPolarHBondContact O-CG2 3.46Å; E81-V85 PolarHBondContact O-N 2.64Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.93Å; V85-T88 VanDerWaalsContact CG2-OG1 3.28Å; V85-T88 WeakPolarHBondContact CG2-OG1 3.5Å | ||
| 86 | S | 77.1 | Confident | 87.5 | Confident | 137 Ų | 137 | 43.3 Ų | 43.3 | 96% | 0.958 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -68.5 | -29.9 | 177.5 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 87 | K | 82.4 | Confident | 87.8 | Confident | 124 Ų | 124 | 47.8 Ų | 47.8 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -138.2 | 106.7 | 179.6 | -171.1 | -177.2 | -178.8 | -176.2 | 0 | 109.8 | I11 V85 V89 | I11-K87 HydrophobicContact CG2-CG 3.95Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.93Å; K87-V89 HydrophobicContact CD-CG2 4.23Å; K87-V89 HydrophobicContact CG-CG2 4.01Å; K87-V89 PolarHBondContact O-N 2.91Å |
| 88 | T | 84.4 | Confident | 87.9 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.2 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | I11 L12 K78 E81 T82 V85 | I11-T88 CarbonylContact C-O 3.57Å; I11-T88 WeakPolarHBondContact CA-O 3.49Å; L12-T88 HydrophobicContact CB-CG2 4.24Å; L12-T88 HydrophobicContact CD1-CG2 4.3Å; L12-T88 PolarHBondContact N-O 3.44Å; K78-T88 HydrophobicContact CD-CG2 4.38Å; K78-T88 VanDerWaalsContact CE-CG2 3.42Å; E81-T88 HydrophobicContact CB-CG2 4.48Å; E81-T88 HydrophobicContact CG-CG2 4.26Å; T82-T88 VanDerWaalsContact CA-OG1 3.32Å; T82-T88 WeakPolarHBondContact CA-OG1 3.06Å; T82-T88 HydrophobicContact CG2-CG2 4Å; V85-T88 VanDerWaalsContact CG2-OG1 3.28Å; V85-T88 WeakPolarHBondContact CG2-OG1 3.5Å |
| 89 | V | 89.1 | Confident | 88 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.7 | -179.7 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | E9 F10 K78 K87 | E9-V89 HydrophobicContact CB-CG1 3.72Å; E9-V89 HydrophobicContact CG-CG1 4.05Å; E9-V89 WeakPolarHBondContact OE2-CG1 3.48Å; F10-V89 CarbonylContact O-C 3.6Å; F10-V89 WeakPolarHBondContact O-CA 3.24Å; K78-V89 PolarHBondContact NZ-O 3.33Å; K87-V89 HydrophobicContact CD-CG2 4.23Å; K87-V89 HydrophobicContact CG-CG2 4.01Å; K87-V89 PolarHBondContact O-N 2.91Å |
| 90 | I | 90.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.3 | 175.2 | -172 | 163.6 | 0 | 0 | 0 | 109.5 | E9 F10 L12 K78 C94 C95 | E9-I90 CarbonylContact C-O 3.58Å; E9-I90 WeakPolarHBondContact CA-O 3.3Å; F10-I90 HydrophobicContact CB-CG2 3.91Å; F10-I90 PolarHBondContact N-O 3.24Å; F10-I90 PolarHBondContact O-N 3.09Å; L12-I90 HydrophobicContact CD1-CG2 4.14Å; L12-I90 HydrophobicContact CD2-CG2 4.47Å; L12-I90 HydrophobicContact CG-CG2 4.04Å; K78-I90 HydrophobicContact CD-CD1 4.39Å; I90-C94 HydrophobicContact CD1-CB 4.08Å; I90-C94 HydrophobicContact CG1-CB 3.58Å; I90-C95 HydrophobicContact CD1-CB 4.31Å; I90-C95 HydrophobicContact CG1-CB 4.28Å; I90-C95 HydrophobicContact CG2-CB 4.09Å |
| 91 | C | 90.9 | Very high | 88.7 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 148.6 | 177.2 | 91.4 | 0 | 0 | 0 | 0 | 110.7 | A93 C94 C95 | C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.26Å; C91-C94 HydrophobicContact CB-CB 4.12Å; C91-C94 WeakPolarHBondContact CB-SG 3.37Å; C91-C94 VanDerWaalsContact O-CB 3.29Å; C91-C94 WeakPolarHBondContact O-CB 3.09Å; C91-C94 PolarHBondContact O-N 2.97Å; C91-C94 VanDerWaalsContact O-N 3.08Å; C91-C94 WeakPolarHBondContact SG-CB 3.34Å; C91-C94 PolarHBondContact SG-N 3.39Å; C91-C94 CovalentContact SG-SG 2.06Å; C91-C94 PolarHBondContact SG-SG 2.65Å; C91-C95 WeakPolarHBondContact O-CB 3.27Å; C91-C95 PolarHBondContact O-N 2.93Å |
| 92 | T | 88.4 | Confident | 88.8 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.5 | -47.6 | -178.4 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | I7 T8 F10 C94 C95 L96 F166 | I7-T92 PolarHBondContact O-OG1 2.88Å; T8-T92 VanDerWaalsContact C-OG1 3.24Å; T8-T92 PolarHBondContact O-N 3.27Å; T8-T92 PolarHBondContact O-OG1 3.15Å; F10-T92 HydrophobicContact CE2-CG2 3.89Å; T92-C94 VanDerWaalsContact C-N 3.35Å; T92-C94 PolarHBondContact O-N 2.88Å; T92-C95 WeakPolarHBondContact O-CB 3.46Å; T92-C95 PolarHBondContact O-N 3.3Å; T92-L96 HydrophobicContact CG2-CD1 4.28Å; T92-L96 WeakPolarHBondContact O-CG 3.18Å; T92-L96 PolarHBondContact O-N 2.84Å; T92-F166 HydrophobicContact CG2-CD2 4Å; T92-F166 HydrophobicContact CG2-CE2 4.23Å |
| 93 | A | 90.5 | Very high | 89.1 | Confident | 72 Ų | 72 | 48 Ų | 48 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C91 C95 L96 L97 | C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.26Å; A93-C95 VanDerWaalsContact C-N 3.29Å; A93-C95 PolarHBondContact O-N 3.01Å; A93-L96 PolarHBondContact O-N 3.49Å; A93-L97 WeakPolarHBondContact O-CB 2.8Å; A93-L97 PolarHBondContact O-N 3.17Å |
| 94 | C | 92.2 | Very high | 89.6 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | I90 C91 T92 L97 Q98 | I90-C94 HydrophobicContact CD1-CB 4.08Å; I90-C94 HydrophobicContact CG1-CB 3.58Å; C91-C94 HydrophobicContact CB-CB 4.12Å; C91-C94 WeakPolarHBondContact CB-SG 3.37Å; C91-C94 VanDerWaalsContact O-CB 3.29Å; C91-C94 WeakPolarHBondContact O-CB 3.09Å; C91-C94 PolarHBondContact O-N 2.97Å; C91-C94 VanDerWaalsContact O-N 3.08Å; C91-C94 WeakPolarHBondContact SG-CB 3.34Å; C91-C94 PolarHBondContact SG-N 3.39Å; C91-C94 CovalentContact SG-SG 2.06Å; C91-C94 PolarHBondContact SG-SG 2.65Å; T92-C94 VanDerWaalsContact C-N 3.35Å; T92-C94 PolarHBondContact O-N 2.88Å; C94-L97 PolarHBondContact O-N 3.32Å; C94-Q98 WeakPolarHBondContact O-CB 3.5Å; C94-Q98 PolarHBondContact O-N 3.04Å |
| 95 | C | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 178.7 | -171 | 0 | 0 | 0 | 0 | 111.9 | F10 I90 C91 T92 A93 L97 Q98 A99 C177 | F10-C95 HydrophobicContact CD2-CB 3.89Å; F10-C95 HydrophobicContact CE2-CB 4.4Å; I90-C95 HydrophobicContact CD1-CB 4.31Å; I90-C95 HydrophobicContact CG1-CB 4.28Å; I90-C95 HydrophobicContact CG2-CB 4.09Å; C91-C95 WeakPolarHBondContact O-CB 3.27Å; C91-C95 PolarHBondContact O-N 2.93Å; T92-C95 WeakPolarHBondContact O-CB 3.46Å; T92-C95 PolarHBondContact O-N 3.3Å; A93-C95 VanDerWaalsContact C-N 3.29Å; A93-C95 PolarHBondContact O-N 3.01Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-L97 PolarHBondContact O-N 3.32Å; C95-Q98 PolarHBondContact O-N 3.37Å; C95-A99 WeakPolarHBondContact O-CB 3.42Å; C95-A99 PolarHBondContact O-N 3.25Å; C95-C177 WeakPolarHBondContact CA-SG 3.36Å; C95-C177 HydrophobicContact CB-CB 3.98Å; C95-C177 WeakPolarHBondContact CB-SG 3.13Å; C95-C177 WeakPolarHBondContact O-CB 3.27Å; C95-C177 WeakPolarHBondContact SG-CB 3.33Å; C95-C177 CovalentContact SG-SG 2.01Å; C95-C177 PolarHBondContact SG-SG 3.21Å |
| 96 | L | 92.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 175.5 | -64.5 | 176.9 | 0 | 0 | 0 | 111.8 | T92 A93 A99 F100 L161 V162 F166 I182 | T92-L96 HydrophobicContact CG2-CD1 4.28Å; T92-L96 WeakPolarHBondContact O-CG 3.18Å; T92-L96 PolarHBondContact O-N 2.84Å; A93-L96 PolarHBondContact O-N 3.49Å; L96-A99 PolarHBondContact O-N 2.98Å; L96-F100 WeakPolarHBondContact O-CB 3.4Å; L96-F100 PolarHBondContact O-N 3.21Å; L96-L161 HydrophobicContact CD2-CD2 3.65Å; L96-L161 HydrophobicContact CD2-CG 3.75Å; L96-V162 HydrophobicContact CD1-CG2 3.94Å; L96-F166 HydrophobicContact CD1-CE2 4.32Å; L96-F166 HydrophobicContact CD2-CZ 4.27Å; L96-I182 HydrophobicContact CD2-CG2 4.22Å |
| 97 | L | 94 | Very high | 91.1 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 52% | 0.518 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.5 | -169.9 | 64.8 | 0 | 0 | 0 | 111.9 | A93 C94 C95 A99 F100 F101 | A93-L97 WeakPolarHBondContact O-CB 2.8Å; A93-L97 PolarHBondContact O-N 3.17Å; C94-L97 PolarHBondContact O-N 3.32Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-L97 PolarHBondContact O-N 3.32Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-F100 PolarHBondContact O-N 3.49Å; L97-F101 HydrophobicContact CD1-CD2 3.96Å; L97-F101 HydrophobicContact CD1-CE2 3.54Å; L97-F101 HydrophobicContact CD2-CE2 4.43Å; L97-F101 HydrophobicContact CG-CD2 3.96Å; L97-F101 HydrophobicContact CG-CE2 3.83Å; L97-F101 WeakPolarHBondContact O-CD2 3.23Å; L97-F101 PolarHBondContact O-N 3.44Å; L97-F101 VanDerWaalsContact O-N 3.08Å |
| 98 | Q | 93.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.5 | -175 | -176.8 | 53.7 | 0 | 0 | 110.9 | T74 C94 C95 H102 C177 | T74-Q98 HydrophobicContact CG2-CB 4.47Å; T74-Q98 HydrophobicContact CG2-CG 3.73Å; T74-Q98 VanDerWaalsContact CG2-O 3.31Å; T74-Q98 WeakPolarHBondContact CG2-O 3.22Å; T74-Q98 WeakPolarHBondContact O-CG 3.29Å; T74-Q98 PolarHBondContact O-NE2 2.92Å; C94-Q98 WeakPolarHBondContact O-CB 3.5Å; C94-Q98 PolarHBondContact O-N 3.04Å; C95-Q98 PolarHBondContact O-N 3.37Å; Q98-H102 VanDerWaalsContact O-CB 3.28Å; Q98-H102 WeakPolarHBondContact O-CB 3.49Å; Q98-H102 PolarHBondContact O-N 3.19Å; Q98-C177 HydrophobicContact CB-CB 4.35Å |
| 99 | A | 91.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C95 L96 L97 F101 H102 F103 C177 I182 | C95-A99 WeakPolarHBondContact O-CB 3.42Å; C95-A99 PolarHBondContact O-N 3.25Å; L96-A99 PolarHBondContact O-N 2.98Å; L97-A99 VanDerWaalsContact C-N 3.35Å; A99-F101 PolarHBondContact O-N 2.81Å; A99-H102 PolarHBondContact O-N 3.48Å; A99-F103 VanDerWaalsContact O-CD2 3.22Å; A99-F103 WeakPolarHBondContact O-CD2 3.42Å; A99-F103 PolarHBondContact O-N 3.46Å; A99-C177 HydrophobicContact CB-CB 4.4Å; A99-C177 VanDerWaalsContact CB-O 3.31Å; A99-C177 WeakPolarHBondContact CB-O 3.43Å; A99-I182 HydrophobicContact CB-CD1 4.14Å |
| 100 | F | 94.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.1 | -55.6 | 178.4 | 170.7 | -98.5 | 0 | 0 | 0 | 112 | L96 L97 H102 F103 F104 F151 V154 F155 T158 | L96-F100 WeakPolarHBondContact O-CB 3.4Å; L96-F100 PolarHBondContact O-N 3.21Å; L97-F100 PolarHBondContact O-N 3.49Å; F100-H102 VanDerWaalsContact C-N 3.35Å; F100-H102 PolarHBondContact O-N 3.5Å; F100-F103 PolarHBondContact O-N 2.93Å; F100-F104 HydrophobicContact CE1-CD1 4.46Å; F100-F104 WeakPolarHBondContact O-CB 3.29Å; F100-F104 PolarHBondContact O-N 2.92Å; F100-F151 HydrophobicContact CE1-CE2 4.45Å; F100-F151 HydrophobicContact CE2-CE2 4.41Å; F100-F151 AromaticContact CZ-CD2 3.77Å; F100-F151 HydrophobicContact CZ-CD2 3.77Å; F100-F151 AromaticContact CZ-CE2 3.58Å; F100-F151 HydrophobicContact CZ-CE2 3.58Å; F100-F151 HydrophobicContact CZ-CZ 4.45Å; F100-V154 HydrophobicContact CD2-CG1 3.91Å; F100-V154 HydrophobicContact CE2-CG1 4.28Å; F100-F155 HydrophobicContact CE2-CB 4.17Å; F100-F155 HydrophobicContact CE2-CD2 4.3Å; F100-T158 HydrophobicContact CB-CG2 4.21Å; F100-T158 HydrophobicContact CD2-CG2 4.14Å; F100-T158 WeakPolarHBondContact CD2-OG1 3.3Å |
| 101 | F | 94.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 30.1 Ų | 30.1 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.4 | -39.5 | -179 | -80.5 | -69.3 | 0 | 0 | 0 | 112.3 | T74 L97 A99 F104 L105 | T74-F101 HydrophobicContact CG2-CB 3.91Å; L97-F101 HydrophobicContact CD1-CD2 3.96Å; L97-F101 HydrophobicContact CD1-CE2 3.54Å; L97-F101 HydrophobicContact CD2-CE2 4.43Å; L97-F101 HydrophobicContact CG-CD2 3.96Å; L97-F101 HydrophobicContact CG-CE2 3.83Å; L97-F101 WeakPolarHBondContact O-CD2 3.23Å; L97-F101 PolarHBondContact O-N 3.44Å; L97-F101 VanDerWaalsContact O-N 3.08Å; A99-F101 PolarHBondContact O-N 2.81Å; F101-F104 HydrophobicContact CD1-CD1 4.2Å; F101-L105 HydrophobicContact CB-CD1 4.42Å; F101-L105 VanDerWaalsContact O-CB 3.26Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 WeakPolarHBondContact O-CD1 3.46Å; F101-L105 WeakPolarHBondContact O-CG 3.37Å; F101-L105 PolarHBondContact O-N 3.46Å |
| 102 | H | 90.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -51.7 | 178.1 | 179.4 | 77.7 | 0 | 0 | 0 | 112 | Y71 T74 V75 Q98 A99 F100 G106 Y176 | Y71-H102 AromaticContact CE2-CE1 3.66Å; Y71-H102 AromaticContact CE2-ND1 3.5Å; Y71-H102 WeakPolarHBondContact CE2-O 3.46Å; Y71-H102 AromaticContact CZ-CE1 3.48Å; Y71-H102 VanDerWaalsContact CZ-CE1 3.48Å; Y71-H102 AromaticContact CZ-ND1 3.71Å; Y71-H102 PolarHBondContact OH-CE1 2.78Å; T74-H102 HydrophobicContact CG2-CB 4.3Å; V75-H102 VanDerWaalsContact CG2-ND1 3.3Å; V75-H102 WeakPolarHBondContact CG2-ND1 3.4Å; Q98-H102 VanDerWaalsContact O-CB 3.28Å; Q98-H102 WeakPolarHBondContact O-CB 3.49Å; Q98-H102 PolarHBondContact O-N 3.19Å; A99-H102 PolarHBondContact O-N 3.48Å; F100-H102 VanDerWaalsContact C-N 3.35Å; F100-H102 PolarHBondContact O-N 3.5Å; H102-G106 PolarHBondContact O-N 2.99Å; H102-Y176 AromaticContact CD2-CE2 3.94Å; H102-Y176 AromaticContact NE2-CE2 3.77Å; H102-Y176 AromaticContact NE2-CZ 3.74Å |
| 103 | F | 90.4 | Very high | 93 | Very high | 64 Ų | 64 | 26.8 Ų | 26.8 | 28% | 0.281 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -72.5 | -36.3 | -178.7 | -76.7 | -75.9 | 0 | 0 | 0 | 112.7 | A99 F100 T107 V154 D178 V179 | A99-F103 VanDerWaalsContact O-CD2 3.22Å; A99-F103 WeakPolarHBondContact O-CD2 3.42Å; A99-F103 PolarHBondContact O-N 3.46Å; F100-F103 PolarHBondContact O-N 2.93Å; F103-T107 VanDerWaalsContact O-CB 3.3Å; F103-T107 WeakPolarHBondContact O-CB 3.37Å; F103-T107 PolarHBondContact O-N 3.34Å; F103-T107 PolarHBondContact O-OG1 3.46Å; F103-V154 HydrophobicContact CB-CG1 3.83Å; F103-V154 HydrophobicContact CB-CG2 4.06Å; F103-D178 WeakPolarHBondContact CZ-OD1 3.29Å; F103-V179 HydrophobicContact CD2-CG2 3.69Å; F103-V179 HydrophobicContact CE2-CB 3.97Å; F103-V179 HydrophobicContact CE2-CG2 3.29Å; F103-V179 HydrophobicContact CZ-CB 4.1Å; F103-V179 HydrophobicContact CZ-CG2 3.87Å |
| 104 | F | 95.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 10% | 0.101 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.9 | -55.6 | 175.5 | 161.3 | -133.8 | 0 | 0 | 0 | 110.7 | F100 F101 T107 T108 W147 F151 V154 | F100-F104 HydrophobicContact CE1-CD1 4.46Å; F100-F104 WeakPolarHBondContact O-CB 3.29Å; F100-F104 PolarHBondContact O-N 2.92Å; F101-F104 HydrophobicContact CD1-CD1 4.2Å; F104-T107 PolarHBondContact O-N 3.31Å; F104-T108 PolarHBondContact O-N 2.88Å; F104-T108 PolarHBondContact O-OG1 2.8Å; F104-W147 HydrophobicContact CE1-CE3 4.32Å; F104-W147 HydrophobicContact CE1-CZ3 4.09Å; F104-W147 AromaticContact CE2-CE3 3.92Å; F104-W147 HydrophobicContact CE2-CE3 3.92Å; F104-W147 HydrophobicContact CE2-CZ3 4.36Å; F104-W147 AromaticContact CZ-CE3 3.46Å; F104-W147 HydrophobicContact CZ-CE3 3.46Å; F104-W147 VanDerWaalsContact CZ-CE3 3.46Å; F104-W147 AromaticContact CZ-CZ3 3.69Å; F104-W147 HydrophobicContact CZ-CZ3 3.69Å; F104-F151 VanDerWaalsContact CD2-CA 3.5Å; F104-F151 HydrophobicContact CD2-CB 4.03Å; F104-F151 HydrophobicContact CE2-CB 3.66Å; F104-F151 HydrophobicContact CE2-CD2 4.47Å; F104-F151 HydrophobicContact CZ-CB 4.31Å; F104-F151 HydrophobicContact CZ-CD2 4.47Å; F104-V154 HydrophobicContact CB-CB 4.38Å; F104-V154 HydrophobicContact CB-CG1 4.35Å |
| 105 | L | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | -178.6 | -65 | 167 | 0 | 0 | 0 | 110.5 | L67 W70 Y71 F101 T107 T108 E109 W147 | L67-L105 WeakPolarHBondContact CD1-O 3.3Å; L67-L105 HydrophobicContact CD2-CB 4.14Å; L67-L105 WeakPolarHBondContact CD2-O 3.41Å; L67-L105 HydrophobicContact CG-CB 4.13Å; L67-L105 HydrophobicContact CG-CD2 3.91Å; W70-L105 HydrophobicContact CB-CD1 3.64Å; W70-L105 HydrophobicContact CB-CD2 4.23Å; Y71-L105 HydrophobicContact CD2-CB 3.84Å; Y71-L105 HydrophobicContact CG-CB 4.49Å; F101-L105 HydrophobicContact CB-CD1 4.42Å; F101-L105 VanDerWaalsContact O-CB 3.26Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 WeakPolarHBondContact O-CD1 3.46Å; F101-L105 WeakPolarHBondContact O-CG 3.37Å; F101-L105 PolarHBondContact O-N 3.46Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.44Å; L105-T108 PolarHBondContact O-N 2.71Å; L105-E109 PolarHBondContact O-N 3.27Å; L105-W147 HydrophobicContact CD2-CH2 4.04Å; L105-W147 HydrophobicContact CD2-CZ3 3.77Å |
| 106 | G | 90.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 11% | 0.113 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | H102 E109 F110 | H102-G106 PolarHBondContact O-N 2.99Å; G106-E109 WeakPolarHBondContact O-CB 3.47Å; G106-E109 PolarHBondContact O-N 2.72Å; G106-F110 WeakPolarHBondContact O-CD2 3.41Å |
| 107 | T | 92.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 11% | 0.11 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.2 | F103 F104 L105 E109 F110 L111 I153 V204 | F103-T107 VanDerWaalsContact O-CB 3.3Å; F103-T107 WeakPolarHBondContact O-CB 3.37Å; F103-T107 PolarHBondContact O-N 3.34Å; F103-T107 PolarHBondContact O-OG1 3.46Å; F104-T107 PolarHBondContact O-N 3.31Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.44Å; T107-E109 VanDerWaalsContact C-N 3.28Å; T107-E109 PolarHBondContact O-N 3.47Å; T107-F110 PolarHBondContact O-N 3.49Å; T107-L111 HydrophobicContact CG2-CD1 4.39Å; T107-L111 WeakPolarHBondContact O-CG 3.37Å; T107-L111 PolarHBondContact O-N 3.01Å; T107-I153 HydrophobicContact CG2-CD1 4.22Å; T107-V204 HydrophobicContact CG2-CG1 4.12Å; T107-V204 HydrophobicContact CG2-CG2 3.86Å |
| 108 | T | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -32.4 | 178.9 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | L67 F104 L105 F110 L111 I112 S146 W147 | L67-T108 HydrophobicContact CD1-CG2 3.6Å; F104-T108 PolarHBondContact O-N 2.88Å; F104-T108 PolarHBondContact O-OG1 2.8Å; L105-T108 PolarHBondContact O-N 2.71Å; T108-F110 PolarHBondContact O-N 2.86Å; T108-L111 PolarHBondContact O-N 3.25Å; T108-I112 HydrophobicContact CG2-CD1 3.75Å; T108-I112 HydrophobicContact CG2-CG1 4.12Å; T108-I112 WeakPolarHBondContact O-CG1 3.33Å; T108-I112 PolarHBondContact O-N 2.56Å; T108-S146 PolarHBondContact OG1-O 3.43Å; T108-W147 HydrophobicContact CG2-CD2 3.77Å; T108-W147 HydrophobicContact CG2-CE3 3.8Å; T108-W147 HydrophobicContact CG2-CG 4.16Å; T108-W147 HydrophobicContact CG2-CZ3 4.26Å |
| 109 | E | 93.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 3% | 0.033 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.8 | -52.1 | 175.1 | -176.6 | 178.1 | -160.6 | 0 | 0 | 111.5 | L64 L67 L105 G106 T107 L111 I112 L113 L249 | L64-E109 HydrophobicContact CD1-CG 3.8Å; L67-E109 HydrophobicContact CD1-CB 4.3Å; L67-E109 HydrophobicContact CD2-CB 3.92Å; L67-E109 HydrophobicContact CD2-CG 4.48Å; L105-E109 PolarHBondContact O-N 3.27Å; G106-E109 WeakPolarHBondContact O-CB 3.47Å; G106-E109 PolarHBondContact O-N 2.72Å; T107-E109 VanDerWaalsContact C-N 3.28Å; T107-E109 PolarHBondContact O-N 3.47Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 3.49Å; E109-I112 PolarHBondContact O-N 3.49Å; E109-L113 HydrophobicContact CG-CD1 4.32Å; E109-L113 WeakPolarHBondContact O-CG 3.14Å; E109-L113 PolarHBondContact O-N 2.9Å; E109-L249 HydrophobicContact CG-CD2 4.32Å |
| 110 | F | 92.5 | Very high | 94 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.4 | -71.2 | -70.7 | 0 | 0 | 0 | 112.7 | G106 T107 T108 L113 G114 V204 I205 L249 Y250 V253 | G106-F110 WeakPolarHBondContact O-CD2 3.41Å; T107-F110 PolarHBondContact O-N 3.49Å; T108-F110 PolarHBondContact O-N 2.86Å; F110-L113 PolarHBondContact O-N 2.72Å; F110-G114 PolarHBondContact O-N 2.91Å; F110-V204 HydrophobicContact CB-CG1 3.69Å; F110-V204 HydrophobicContact CD2-CG1 3.97Å; F110-V204 HydrophobicContact CG-CG1 4.09Å; F110-I205 HydrophobicContact CD2-CG1 4.16Å; F110-I205 HydrophobicContact CE1-CG1 4.29Å; F110-I205 HydrophobicContact CE2-CD1 4.36Å; F110-I205 HydrophobicContact CE2-CG1 3.84Å; F110-I205 HydrophobicContact CZ-CD1 4.42Å; F110-I205 HydrophobicContact CZ-CG1 3.92Å; F110-L249 HydrophobicContact CD1-CD2 4.05Å; F110-L249 HydrophobicContact CE1-CD2 3.59Å; F110-L249 HydrophobicContact CE1-CG 4Å; F110-L249 HydrophobicContact CZ-CD2 4.1Å; F110-L249 HydrophobicContact CZ-CG 4.29Å; F110-Y250 HydrophobicContact CD1-CD1 4.41Å; F110-Y250 AromaticContact CD1-CE1 3.59Å; F110-Y250 HydrophobicContact CD1-CE1 3.59Å; F110-Y250 HydrophobicContact CD1-CE2 4.47Å; F110-Y250 AromaticContact CD1-CZ 3.65Å; F110-Y250 HydrophobicContact CE1-CD1 4.04Å; F110-Y250 AromaticContact CE1-CE1 3.67Å; F110-Y250 HydrophobicContact CE1-CE1 3.67Å; F110-V253 HydrophobicContact CZ-CG2 4.1Å |
| 111 | L | 95.2 | Very high | 94 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 25% | 0.246 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 177.5 | -63.7 | 176.8 | 0 | 0 | 0 | 111.4 | T107 T108 E109 L113 G114 T115 S146 A149 | T107-L111 HydrophobicContact CG2-CD1 4.39Å; T107-L111 WeakPolarHBondContact O-CG 3.37Å; T107-L111 PolarHBondContact O-N 3.01Å; T108-L111 PolarHBondContact O-N 3.25Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 3.49Å; L111-L113 PolarHBondContact O-N 2.88Å; L111-G114 PolarHBondContact O-N 2.81Å; L111-G114 VanDerWaalsContact O-N 3.17Å; L111-T115 PolarHBondContact O-N 3.44Å; L111-S146 WeakPolarHBondContact CD1-O 3.47Å; L111-A149 HydrophobicContact CD1-CB 3.81Å |
| 112 | I | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.1 | -70.8 | 172.6 | 0 | 0 | 0 | 110.3 | F60 N63 L64 L67 T108 E109 G114 T115 M116 | F60-I112 HydrophobicContact CB-CG2 4.39Å; N63-I112 HydrophobicContact CB-CD1 3.95Å; L64-I112 HydrophobicContact CB-CG2 4.18Å; L67-I112 HydrophobicContact CD1-CD1 4.01Å; T108-I112 HydrophobicContact CG2-CD1 3.75Å; T108-I112 HydrophobicContact CG2-CG1 4.12Å; T108-I112 WeakPolarHBondContact O-CG1 3.33Å; T108-I112 PolarHBondContact O-N 2.56Å; E109-I112 PolarHBondContact O-N 3.49Å; I112-G114 VanDerWaalsContact C-N 3.26Å; I112-G114 PolarHBondContact O-N 2.76Å; I112-T115 WeakPolarHBondContact CA-OG1 3.34Å; I112-T115 WeakPolarHBondContact O-CA 3.41Å; I112-T115 PolarHBondContact O-N 2.99Å; I112-T115 PolarHBondContact O-OG1 2.99Å; I112-M116 HydrophobicContact CG2-CG 4.36Å; I112-M116 HydrophobicContact CG2-SD 4Å; I112-M116 WeakPolarHBondContact O-CG 3.38Å; I112-M116 PolarHBondContact O-N 3.48Å |
| 113 | L | 92.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -37.3 | 175.5 | -71 | 173.8 | 0 | 0 | 0 | 112.3 | L64 E109 F110 L111 M116 S117 H242 V245 L249 | L64-L113 HydrophobicContact CD2-CD2 4.13Å; E109-L113 HydrophobicContact CG-CD1 4.32Å; E109-L113 WeakPolarHBondContact O-CG 3.14Å; E109-L113 PolarHBondContact O-N 2.9Å; F110-L113 PolarHBondContact O-N 2.72Å; L111-L113 PolarHBondContact O-N 2.88Å; L113-M116 HydrophobicContact CD2-SD 4.29Å; L113-M116 PolarHBondContact O-N 3.24Å; L113-S117 PolarHBondContact O-N 3.42Å; L113-H242 PolarHBondContact O-NE2 3.5Å; L113-V245 HydrophobicContact CD2-CG1 4.19Å; L113-L249 HydrophobicContact CD1-CD2 3.26Å |
| 114 | G | 94.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F110 L111 I112 M116 S117 F118 F211 | F110-G114 PolarHBondContact O-N 2.91Å; L111-G114 PolarHBondContact O-N 2.81Å; L111-G114 VanDerWaalsContact O-N 3.17Å; I112-G114 VanDerWaalsContact C-N 3.26Å; I112-G114 PolarHBondContact O-N 2.76Å; G114-M116 VanDerWaalsContact C-N 3.29Å; G114-M116 PolarHBondContact O-N 3.32Å; G114-S117 PolarHBondContact O-N 2.96Å; G114-S117 PolarHBondContact O-OG 3.29Å; G114-F118 PolarHBondContact O-N 2.81Å; G114-F211 WeakPolarHBondContact O-CE1 3.26Å |
| 115 | T | 95.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 17 Ų | 17 | 9% | 0.086 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 175.7 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | L111 I112 F118 D119 L142 | L111-T115 PolarHBondContact O-N 3.44Å; I112-T115 WeakPolarHBondContact CA-OG1 3.34Å; I112-T115 WeakPolarHBondContact O-CA 3.41Å; I112-T115 PolarHBondContact O-N 2.99Å; I112-T115 PolarHBondContact O-OG1 2.99Å; T115-F118 WeakPolarHBondContact O-CB 3.49Å; T115-F118 PolarHBondContact O-N 3.17Å; T115-D119 PolarHBondContact O-N 2.86Å; T115-L142 HydrophobicContact CG2-CB 4.18Å; T115-L142 HydrophobicContact CG2-CD2 4.5Å |
| 116 | M | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 174.4 | -67.6 | 174.2 | 75.8 | 0 | 0 | 111.4 | M57 F60 L61 L64 I112 L113 G114 F118 D119 R120 H242 Y288 | M57-M116 HydrophobicContact CE-CE 3.31Å; M57-M116 HydrophobicContact SD-CB 4.23Å; M57-M116 HydrophobicContact SD-CE 3.78Å; M57-M116 HydrophobicContact SD-CG 4.35Å; F60-M116 HydrophobicContact CB-CG 3.55Å; F60-M116 HydrophobicContact CB-SD 4.16Å; F60-M116 HydrophobicContact CD2-CG 4.49Å; F60-M116 HydrophobicContact CG-CG 4.22Å; L61-M116 HydrophobicContact CB-CE 4.45Å; L61-M116 HydrophobicContact CD1-CE 4.34Å; L64-M116 HydrophobicContact CD2-SD 4.18Å; I112-M116 HydrophobicContact CG2-CG 4.36Å; I112-M116 HydrophobicContact CG2-SD 4Å; I112-M116 WeakPolarHBondContact O-CG 3.38Å; I112-M116 PolarHBondContact O-N 3.48Å; L113-M116 HydrophobicContact CD2-SD 4.29Å; L113-M116 PolarHBondContact O-N 3.24Å; G114-M116 VanDerWaalsContact C-N 3.29Å; G114-M116 PolarHBondContact O-N 3.32Å; M116-F118 VanDerWaalsContact C-N 3.31Å; M116-F118 PolarHBondContact O-N 3.36Å; M116-D119 PolarHBondContact O-N 2.93Å; M116-R120 WeakPolarHBondContact O-CG 3.38Å; M116-R120 PolarHBondContact O-N 3.19Å; M116-H242 WeakPolarHBondContact CB-NE2 3.4Å; M116-Y288 HydrophobicContact CE-CE1 4.25Å; M116-Y288 WeakPolarHBondContact CE-OH 3.35Å |
| 117 | S | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 173.4 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | L113 G114 R120 Y121 F211 | L113-S117 PolarHBondContact O-N 3.42Å; G114-S117 PolarHBondContact O-N 2.96Å; G114-S117 PolarHBondContact O-OG 3.29Å; S117-R120 PolarHBondContact O-N 2.95Å; S117-Y121 WeakPolarHBondContact O-CB 3.4Å; S117-Y121 PolarHBondContact O-N 2.81Å; S117-F211 WeakPolarHBondContact OG-CD1 3.43Å; S117-F211 WeakPolarHBondContact OG-CE1 3.49Å |
| 118 | F | 95.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 26% | 0.263 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.5 | -44 | 175 | -178.4 | -116.3 | 0 | 0 | 0 | 112.4 | G114 T115 M116 R120 Y121 L122 M134 L142 F211 | G114-F118 PolarHBondContact O-N 2.81Å; T115-F118 WeakPolarHBondContact O-CB 3.49Å; T115-F118 PolarHBondContact O-N 3.17Å; M116-F118 VanDerWaalsContact C-N 3.31Å; M116-F118 PolarHBondContact O-N 3.36Å; F118-R120 PolarHBondContact O-N 3.46Å; F118-Y121 HydrophobicContact CD2-CD1 4.37Å; F118-Y121 HydrophobicContact CE2-CD1 4.46Å; F118-Y121 WeakPolarHBondContact O-CB 3.11Å; F118-Y121 PolarHBondContact O-N 2.79Å; F118-L122 HydrophobicContact CD1-CD1 4.13Å; F118-L122 HydrophobicContact CE1-CD1 3.51Å; F118-L122 HydrophobicContact CE1-CG 4.3Å; F118-L122 HydrophobicContact CE2-CD1 4.15Å; F118-L122 HydrophobicContact CE2-CD2 4.36Å; F118-L122 HydrophobicContact CE2-CG 4.12Å; F118-L122 HydrophobicContact CZ-CD1 3.53Å; F118-L122 HydrophobicContact CZ-CD2 4.33Å; F118-L122 HydrophobicContact CZ-CG 4.01Å; F118-L122 PolarHBondContact O-N 2.65Å; F118-M134 HydrophobicContact CE1-SD 4.42Å; F118-L142 HydrophobicContact CD1-CD1 4.3Å; F118-F211 HydrophobicContact CB-CE1 3.96Å; F118-F211 HydrophobicContact CB-CZ 3.99Å; F118-F211 HydrophobicContact CD2-CZ 4.09Å; F118-F211 HydrophobicContact CG-CZ 4.39Å |
| 119 | D | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 173.4 | 169.9 | 76.3 | 0 | 0 | 0 | 111.5 | P56 F60 T115 M116 Y121 L122 A123 Y130 M134 | P56-D119 WeakPolarHBondContact CB-OD1 3.4Å; F60-D119 HydrophobicContact CE2-CB 4.48Å; T115-D119 PolarHBondContact O-N 2.86Å; M116-D119 PolarHBondContact O-N 2.93Å; D119-Y121 VanDerWaalsContact C-N 3.3Å; D119-Y121 PolarHBondContact O-N 3.19Å; D119-L122 PolarHBondContact O-N 3.04Å; D119-A123 WeakPolarHBondContact O-CB 3.33Å; D119-A123 PolarHBondContact O-N 3.41Å; D119-Y130 VanDerWaalsContact OD1-CE2 3.31Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.46Å; D119-Y130 PolarHBondContact OD1-OH 3.45Å; D119-M134 HydrophobicContact CB-CE 3.96Å |
| 120 | R | 94.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 42 Ų | 42 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 178.1 | -66 | -60.6 | 89 | -174.8 | -2.3 | 112 | M57 M116 S117 F118 A123 I124 I219 | M57-R120 HydrophobicContact SD-CG 4.36Å; M116-R120 WeakPolarHBondContact O-CG 3.38Å; M116-R120 PolarHBondContact O-N 3.19Å; S117-R120 PolarHBondContact O-N 2.95Å; F118-R120 PolarHBondContact O-N 3.46Å; R120-A123 PolarHBondContact O-N 3.35Å; R120-I124 PolarHBondContact O-N 3.18Å; R120-I124 VanDerWaalsContact O-N 3.12Å; R120-I219 HydrophobicContact CB-CD1 4.03Å |
| 121 | Y | 95.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -51.8 | 174.6 | 165.1 | -96.4 | 0 | 0 | 0 | 111.1 | S117 F118 D119 A123 I124 C125 Y218 | S117-Y121 WeakPolarHBondContact O-CB 3.4Å; S117-Y121 PolarHBondContact O-N 2.81Å; F118-Y121 HydrophobicContact CD2-CD1 4.37Å; F118-Y121 HydrophobicContact CE2-CD1 4.46Å; F118-Y121 WeakPolarHBondContact O-CB 3.11Å; F118-Y121 PolarHBondContact O-N 2.79Å; D119-Y121 VanDerWaalsContact C-N 3.3Å; D119-Y121 PolarHBondContact O-N 3.19Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 3.48Å; Y121-I124 PolarHBondContact O-N 3.23Å; Y121-C125 HydrophobicContact CD2-CB 3.94Å; Y121-C125 HydrophobicContact CE2-CB 3.74Å; Y121-C125 WeakPolarHBondContact O-CA 3.39Å; Y121-C125 WeakPolarHBondContact O-CB 3.26Å; Y121-C125 PolarHBondContact O-N 2.87Å; Y121-Y218 HydrophobicContact CE2-CD2 4.26Å; Y121-Y218 HydrophobicContact CE2-CG 4.06Å |
| 122 | L | 95.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | -179.7 | -70.3 | 178.8 | 0 | 0 | 0 | 111.8 | F118 D119 I124 K126 Y130 I133 M134 | F118-L122 HydrophobicContact CD1-CD1 4.13Å; F118-L122 HydrophobicContact CE1-CD1 3.51Å; F118-L122 HydrophobicContact CE1-CG 4.3Å; F118-L122 HydrophobicContact CE2-CD1 4.15Å; F118-L122 HydrophobicContact CE2-CD2 4.36Å; F118-L122 HydrophobicContact CE2-CG 4.12Å; F118-L122 HydrophobicContact CZ-CD1 3.53Å; F118-L122 HydrophobicContact CZ-CD2 4.33Å; F118-L122 HydrophobicContact CZ-CG 4.01Å; F118-L122 PolarHBondContact O-N 2.65Å; D119-L122 PolarHBondContact O-N 3.04Å; L122-I124 VanDerWaalsContact C-N 3.33Å; L122-I124 PolarHBondContact O-N 3.21Å; L122-K126 CarbonylContact O-C 3.18Å; L122-K126 WeakPolarHBondContact O-CA 3.28Å; L122-K126 PolarHBondContact O-N 3.3Å; L122-Y130 HydrophobicContact CB-CD2 3.75Å; L122-Y130 HydrophobicContact CB-CE2 4.35Å; L122-I133 HydrophobicContact CD1-CB 4.34Å; L122-I133 HydrophobicContact CD1-CG2 3.6Å; L122-I133 HydrophobicContact CD2-CD1 4.22Å; L122-M134 HydrophobicContact CD1-CG 3.64Å; L122-M134 HydrophobicContact CD1-SD 3.92Å |
| 123 | A | 93.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D119 R120 Y121 Y130 | D119-A123 WeakPolarHBondContact O-CB 3.33Å; D119-A123 PolarHBondContact O-N 3.41Å; R120-A123 PolarHBondContact O-N 3.35Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 3.48Å; A123-Y130 VanDerWaalsContact CA-CD2 3.48Å; A123-Y130 HydrophobicContact CB-CD2 3.88Å; A123-Y130 HydrophobicContact CB-CE2 3.76Å; A123-Y130 HydrophobicContact CB-CG 4.41Å |
| 124 | I | 93.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -95.4 | -45.3 | -175.7 | -63.3 | 174.9 | 0 | 0 | 0 | 112.2 | R120 Y121 L122 I219 T222 I223 C239 | R120-I124 PolarHBondContact O-N 3.18Å; R120-I124 VanDerWaalsContact O-N 3.12Å; Y121-I124 PolarHBondContact O-N 3.23Å; L122-I124 VanDerWaalsContact C-N 3.33Å; L122-I124 PolarHBondContact O-N 3.21Å; I124-I219 HydrophobicContact CB-CG2 4.5Å; I124-I219 HydrophobicContact CD1-CG2 3.73Å; I124-I219 HydrophobicContact CG2-CG2 4.23Å; I124-T222 HydrophobicContact CG2-CG2 4.25Å; I124-I223 HydrophobicContact CG2-CG1 4.13Å; I124-C239 WeakPolarHBondContact CD1-SG 3.26Å |
| 125 | C | 93.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.7 | -23.9 | -174.4 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | Y121 Y218 T222 | Y121-C125 HydrophobicContact CD2-CB 3.94Å; Y121-C125 HydrophobicContact CE2-CB 3.74Å; Y121-C125 WeakPolarHBondContact O-CA 3.39Å; Y121-C125 WeakPolarHBondContact O-CB 3.26Å; Y121-C125 PolarHBondContact O-N 2.87Å; C125-Y218 VanDerWaalsContact SG-C 3.6Å; C125-T222 PolarHBondContact SG-OG1 3.33Å |
| 126 | K | 93.4 | Very high | 94.2 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | trans | -136.6 | 53.1 | -176.7 | -59.6 | -66.5 | 176.8 | -174.2 | 0 | 112.2 | L122 L128 R129 Y130 | L122-K126 CarbonylContact O-C 3.18Å; L122-K126 WeakPolarHBondContact O-CA 3.28Å; L122-K126 PolarHBondContact O-N 3.3Å; K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 3.32Å; K126-L128 VanDerWaalsContact O-N 3.15Å; K126-R129 PolarHBondContact O-N 3.32Å; K126-Y130 PolarHBondContact O-N 3.42Å | ||
| 127 | P | 91.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -36.2 | -170.2 | 23.9 | -34.6 | 0 | 0 | 0 | 113.7 | R129 Y130 | P127-R129 VanDerWaalsContact C-N 3.32Å; P127-R129 PolarHBondContact O-N 2.94Å; P127-Y130 PolarHBondContact O-N 3.03Å |
| 128 | L | 93.6 | Very high | 94.3 | Very high | 167 Ų | 167 | 65.5 Ų | 65.5 | 87% | 0.874 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.1 | 178.9 | -63.4 | 176.9 | 0 | 0 | 0 | 113.6 | K126 | K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 3.32Å; K126-L128 VanDerWaalsContact O-N 3.15Å |
| 129 | R | 93.9 | Very high | 94.3 | Very high | 174 Ų | 174 | 62.9 Ų | 62.9 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14 | 180 | -63.9 | -173.3 | 179.2 | -172.1 | -1.4 | 112.7 | K126 P127 T132 I133 | K126-R129 PolarHBondContact O-N 3.32Å; P127-R129 VanDerWaalsContact C-N 3.32Å; P127-R129 PolarHBondContact O-N 2.94Å; R129-T132 PolarHBondContact O-N 3.46Å; R129-T132 VanDerWaalsContact O-N 3.15Å; R129-I133 HydrophobicContact CB-CD1 3.74Å; R129-I133 HydrophobicContact CB-CG1 4.35Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 2.95Å |
| 130 | Y | 94.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -51.5 | -49.8 | -177 | 176.2 | -99.2 | 0 | 0 | 0 | 113.4 | P56 D119 L122 A123 K126 P127 T132 I133 M134 | P56-Y130 WeakPolarHBondContact CG-OH 3.48Å; D119-Y130 VanDerWaalsContact OD1-CE2 3.31Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.46Å; D119-Y130 PolarHBondContact OD1-OH 3.45Å; L122-Y130 HydrophobicContact CB-CD2 3.75Å; L122-Y130 HydrophobicContact CB-CE2 4.35Å; A123-Y130 VanDerWaalsContact CA-CD2 3.48Å; A123-Y130 HydrophobicContact CB-CD2 3.88Å; A123-Y130 HydrophobicContact CB-CE2 3.76Å; A123-Y130 HydrophobicContact CB-CG 4.41Å; K126-Y130 PolarHBondContact O-N 3.42Å; P127-Y130 PolarHBondContact O-N 3.03Å; Y130-T132 VanDerWaalsContact C-N 3.26Å; Y130-T132 PolarHBondContact O-N 3.47Å; Y130-I133 PolarHBondContact O-N 3.42Å; Y130-M134 HydrophobicContact CD2-CB 4.11Å; Y130-M134 HydrophobicContact CD2-CG 3.89Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CG 3.58Å; Y130-M134 PolarHBondContact O-N 3.26Å |
| 131 | P | 92.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.3 | -28.6 | -177.3 | -18.2 | 32.1 | 0 | 0 | 0 | 113.3 | ||
| 132 | T | 93.9 | Very high | 94.6 | Very high | 113 Ų | 113 | 70.5 Ų | 70.5 | 69% | 0.693 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -81.2 | -30.7 | 179.6 | -45.4 | 0 | 0 | 0 | 0 | 112 | R129 Y130 T135 | R129-T132 PolarHBondContact O-N 3.46Å; R129-T132 VanDerWaalsContact O-N 3.15Å; Y130-T132 VanDerWaalsContact C-N 3.26Å; Y130-T132 PolarHBondContact O-N 3.47Å; T132-T135 WeakPolarHBondContact O-CG2 3.38Å |
| 133 | I | 94.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 70.2 Ų | 70.2 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -85.6 | -56.8 | 179.5 | -62 | 168.9 | 0 | 0 | 0 | 110.3 | L122 R129 Y130 T135 L138 | L122-I133 HydrophobicContact CD1-CB 4.34Å; L122-I133 HydrophobicContact CD1-CG2 3.6Å; L122-I133 HydrophobicContact CD2-CD1 4.22Å; R129-I133 HydrophobicContact CB-CD1 3.74Å; R129-I133 HydrophobicContact CB-CG1 4.35Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 2.95Å; Y130-I133 PolarHBondContact O-N 3.42Å; I133-T135 PolarHBondContact O-N 2.98Å; I133-L138 HydrophobicContact CG2-CD2 4Å; I133-L138 WeakPolarHBondContact O-CD2 3.35Å |
| 134 | M | 95.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -80.7 | 64.3 | -176.7 | -73.4 | -60.5 | -74.7 | 0 | 0 | 111.6 | P56 F60 F118 D119 L122 Y130 L138 L142 | P56-M134 HydrophobicContact CB-CE 3.85Å; P56-M134 HydrophobicContact CG-CB 4.31Å; F60-M134 HydrophobicContact CE2-CE 3.73Å; F60-M134 HydrophobicContact CZ-CE 4.24Å; F118-M134 HydrophobicContact CE1-SD 4.42Å; D119-M134 HydrophobicContact CB-CE 3.96Å; L122-M134 HydrophobicContact CD1-CG 3.64Å; L122-M134 HydrophobicContact CD1-SD 3.92Å; Y130-M134 HydrophobicContact CD2-CB 4.11Å; Y130-M134 HydrophobicContact CD2-CG 3.89Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CG 3.58Å; Y130-M134 PolarHBondContact O-N 3.26Å; M134-L138 HydrophobicContact SD-CD2 4.02Å; M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.32Å |
| 135 | T | 95.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 75 Ų | 75 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | trans | -76.4 | 160.3 | 172.3 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | T132 I133 N137 L138 C139 | T132-T135 WeakPolarHBondContact O-CG2 3.38Å; I133-T135 PolarHBondContact O-N 2.98Å; T135-N137 PolarHBondContact O-N 2.94Å; T135-L138 PolarHBondContact O-N 2.89Å; T135-L138 VanDerWaalsContact O-N 3.16Å; T135-L138 PolarHBondContact OG1-N 3.32Å; T135-C139 PolarHBondContact O-N 2.97Å; T135-C139 PolarHBondContact O-SG 3.41Å | ||
| 136 | S | 93.2 | Very high | 95.2 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56 | -38.7 | 174.9 | -178 | 0 | 0 | 0 | 0 | 112.1 | C139 M140 | S136-C139 PolarHBondContact O-N 2.8Å; S136-M140 WeakPolarHBondContact O-CB 3.4Å; S136-M140 PolarHBondContact O-N 3.45Å |
| 137 | N | 95.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 71.8 Ų | 71.8 | 59% | 0.594 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.5 | -46.2 | 176.6 | -69.5 | -11.2 | 0 | 0 | 0 | 112.1 | T135 M140 Q141 | T135-N137 PolarHBondContact O-N 2.94Å; N137-M140 PolarHBondContact O-N 2.89Å; N137-Q141 WeakPolarHBondContact O-CB 3.45Å; N137-Q141 VanDerWaalsContact O-CG 3.3Å; N137-Q141 WeakPolarHBondContact O-CG 3.45Å; N137-Q141 PolarHBondContact O-N 3.39Å |
| 138 | L | 96.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.9 | -178.8 | 62 | 0 | 0 | 0 | 111.1 | I133 M134 T135 M140 Q141 L142 | I133-L138 HydrophobicContact CG2-CD2 4Å; I133-L138 WeakPolarHBondContact O-CD2 3.35Å; M134-L138 HydrophobicContact SD-CD2 4.02Å; T135-L138 PolarHBondContact O-N 2.89Å; T135-L138 VanDerWaalsContact O-N 3.16Å; T135-L138 PolarHBondContact OG1-N 3.32Å; L138-M140 VanDerWaalsContact C-N 3.3Å; L138-M140 PolarHBondContact O-N 3.27Å; L138-Q141 PolarHBondContact O-N 3.25Å; L138-L142 HydrophobicContact CD1-CD1 4.33Å; L138-L142 HydrophobicContact CD1-CG 4.1Å; L138-L142 HydrophobicContact CD2-CD1 4.48Å; L138-L142 HydrophobicContact CG-CD1 3.96Å; L138-L142 HydrophobicContact CG-CG 4.2Å; L138-L142 WeakPolarHBondContact O-CB 3.15Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 2.74Å |
| 139 | C | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.034 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | P56 F59 F60 T135 S136 L142 A143 | P56-C139 VanDerWaalsContact CB-SG 3.58Å; F59-C139 HydrophobicContact CD1-CB 3.9Å; F59-C139 HydrophobicContact CE1-CB 4.02Å; F59-C139 WeakPolarHBondContact CE1-O 3.2Å; F60-C139 HydrophobicContact CZ-CB 4.19Å; T135-C139 PolarHBondContact O-N 2.97Å; T135-C139 PolarHBondContact O-SG 3.41Å; S136-C139 PolarHBondContact O-N 2.8Å; C139-L142 PolarHBondContact O-N 3.49Å; C139-A143 WeakPolarHBondContact O-CB 3.17Å; C139-A143 PolarHBondContact O-N 3.45Å |
| 140 | M | 96.2 | Very high | 96 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.7 | -166 | -172.5 | -39.8 | 0 | 0 | 111.8 | S136 N137 L138 L142 A143 L144 | S136-M140 WeakPolarHBondContact O-CB 3.4Å; S136-M140 PolarHBondContact O-N 3.45Å; N137-M140 PolarHBondContact O-N 2.89Å; L138-M140 VanDerWaalsContact C-N 3.3Å; L138-M140 PolarHBondContact O-N 3.27Å; M140-L142 PolarHBondContact O-N 2.96Å; M140-A143 PolarHBondContact O-N 3.39Å; M140-L144 HydrophobicContact CG-CD1 4Å; M140-L144 HydrophobicContact CG-CG 4.46Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.42Å; M140-L144 VanDerWaalsContact O-CG 3.25Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 2.89Å |
| 141 | Q | 97.7 | Very high | 96.1 | Very high | 124 Ų | 124 | 60.8 Ų | 60.8 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 175.7 | -74.6 | 175 | -5.2 | 0 | 0 | 111.8 | N137 L138 S145 | N137-Q141 WeakPolarHBondContact O-CB 3.45Å; N137-Q141 VanDerWaalsContact O-CG 3.3Å; N137-Q141 WeakPolarHBondContact O-CG 3.45Å; N137-Q141 PolarHBondContact O-N 3.39Å; L138-Q141 PolarHBondContact O-N 3.25Å; Q141-S145 WeakPolarHBondContact O-CB 3.3Å; Q141-S145 PolarHBondContact O-N 3.09Å; Q141-S145 PolarHBondContact O-OG 2.87Å |
| 142 | L | 97.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -50.4 | 177.3 | -72.9 | 173.2 | 0 | 0 | 0 | 110.6 | F60 T115 F118 M134 L138 C139 M140 S145 S146 | F60-L142 HydrophobicContact CE1-CB 3.97Å; F60-L142 HydrophobicContact CZ-CB 3.94Å; F60-L142 HydrophobicContact CZ-CD1 4.03Å; T115-L142 HydrophobicContact CG2-CB 4.18Å; T115-L142 HydrophobicContact CG2-CD2 4.5Å; F118-L142 HydrophobicContact CD1-CD1 4.3Å; M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.32Å; L138-L142 HydrophobicContact CD1-CD1 4.33Å; L138-L142 HydrophobicContact CD1-CG 4.1Å; L138-L142 HydrophobicContact CD2-CD1 4.48Å; L138-L142 HydrophobicContact CG-CD1 3.96Å; L138-L142 HydrophobicContact CG-CG 4.2Å; L138-L142 WeakPolarHBondContact O-CB 3.15Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 2.74Å; C139-L142 PolarHBondContact O-N 3.49Å; M140-L142 PolarHBondContact O-N 2.96Å; L142-S145 PolarHBondContact O-N 3.25Å; L142-S145 PolarHBondContact O-OG 3.33Å; L142-S146 PolarHBondContact O-N 3.39Å; L142-S146 PolarHBondContact O-OG 3.38Å; L142-S146 VanDerWaalsContact O-OG 3.09Å |
| 143 | A | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F59 F60 C139 M140 S145 S146 W147 | F59-A143 HydrophobicContact CE1-CB 3.69Å; F59-A143 HydrophobicContact CZ-CB 4.07Å; F60-A143 HydrophobicContact CD1-CB 4.47Å; F60-A143 HydrophobicContact CE1-CB 4.21Å; C139-A143 WeakPolarHBondContact O-CB 3.17Å; C139-A143 PolarHBondContact O-N 3.45Å; M140-A143 PolarHBondContact O-N 3.39Å; A143-S145 VanDerWaalsContact C-N 3.28Å; A143-S145 PolarHBondContact O-N 2.93Å; A143-S146 WeakPolarHBondContact O-CB 3.31Å; A143-S146 PolarHBondContact O-N 3.37Å; A143-S146 VanDerWaalsContact O-N 3.11Å; A143-W147 PolarHBondContact O-N 3.03Å |
| 144 | L | 97.8 | Very high | 96.3 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 177.4 | -73.1 | 172.6 | 0 | 0 | 0 | 111.6 | M140 S146 W147 L148 | M140-L144 HydrophobicContact CG-CD1 4Å; M140-L144 HydrophobicContact CG-CG 4.46Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.42Å; M140-L144 VanDerWaalsContact O-CG 3.25Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 2.89Å; L144-S146 PolarHBondContact O-N 2.77Å; L144-W147 PolarHBondContact O-N 2.85Å; L144-L148 WeakPolarHBondContact O-CB 3.23Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.43Å; L144-L148 PolarHBondContact O-N 3.43Å |
| 145 | S | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | Q141 L142 A143 A149 | Q141-S145 WeakPolarHBondContact O-CB 3.3Å; Q141-S145 PolarHBondContact O-N 3.09Å; Q141-S145 PolarHBondContact O-OG 2.87Å; L142-S145 PolarHBondContact O-N 3.25Å; L142-S145 PolarHBondContact O-OG 3.33Å; A143-S145 VanDerWaalsContact C-N 3.28Å; A143-S145 PolarHBondContact O-N 2.93Å; S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 3.11Å |
| 146 | S | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 112 | T108 L111 L142 A143 L144 G150 | T108-S146 PolarHBondContact OG1-O 3.43Å; L111-S146 WeakPolarHBondContact CD1-O 3.47Å; L142-S146 PolarHBondContact O-N 3.39Å; L142-S146 PolarHBondContact O-OG 3.38Å; L142-S146 VanDerWaalsContact O-OG 3.09Å; A143-S146 WeakPolarHBondContact O-CB 3.31Å; A143-S146 PolarHBondContact O-N 3.37Å; A143-S146 VanDerWaalsContact O-N 3.11Å; L144-S146 PolarHBondContact O-N 2.77Å; S146-G150 PolarHBondContact O-N 2.92Å; S146-G150 VanDerWaalsContact O-N 3.09Å |
| 147 | W | 98.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.4 | -50 | 175.5 | -76.6 | 109.1 | 0 | 0 | 0 | 111.7 | N63 F66 L67 F104 L105 T108 A143 L144 G150 F151 | N63-W147 PolarHBondContact OD1-NE1 3.43Å; F66-W147 AromaticContact CD1-CH2 4Å; F66-W147 HydrophobicContact CD1-CH2 4Å; F66-W147 HydrophobicContact CD1-CZ2 4Å; F66-W147 HydrophobicContact CE1-CH2 4.3Å; L67-W147 HydrophobicContact CB-CH2 3.87Å; L67-W147 HydrophobicContact CB-CZ2 4.18Å; L67-W147 HydrophobicContact CD1-CH2 4.09Å; L67-W147 HydrophobicContact CD1-CZ2 4.42Å; L67-W147 HydrophobicContact CD1-CZ3 4.49Å; L67-W147 HydrophobicContact CG-CH2 4.16Å; F104-W147 HydrophobicContact CE1-CE3 4.32Å; F104-W147 HydrophobicContact CE1-CZ3 4.09Å; F104-W147 AromaticContact CE2-CE3 3.92Å; F104-W147 HydrophobicContact CE2-CE3 3.92Å; F104-W147 HydrophobicContact CE2-CZ3 4.36Å; F104-W147 AromaticContact CZ-CE3 3.46Å; F104-W147 HydrophobicContact CZ-CE3 3.46Å; F104-W147 VanDerWaalsContact CZ-CE3 3.46Å; F104-W147 AromaticContact CZ-CZ3 3.69Å; F104-W147 HydrophobicContact CZ-CZ3 3.69Å; L105-W147 HydrophobicContact CD2-CH2 4.04Å; L105-W147 HydrophobicContact CD2-CZ3 3.77Å; T108-W147 HydrophobicContact CG2-CD2 3.77Å; T108-W147 HydrophobicContact CG2-CE3 3.8Å; T108-W147 HydrophobicContact CG2-CG 4.16Å; T108-W147 HydrophobicContact CG2-CZ3 4.26Å; A143-W147 PolarHBondContact O-N 3.03Å; L144-W147 PolarHBondContact O-N 2.85Å; W147-G150 PolarHBondContact O-N 3.22Å; W147-F151 WeakPolarHBondContact O-CB 3.33Å; W147-F151 PolarHBondContact O-N 3.19Å |
| 148 | L | 98.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 58% | 0.576 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | -179.2 | -71.8 | 173.1 | 0 | 0 | 0 | 112.5 | L144 F151 T152 | L144-L148 WeakPolarHBondContact O-CB 3.23Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.43Å; L144-L148 PolarHBondContact O-N 3.43Å; L148-F151 PolarHBondContact O-N 3.12Å; L148-T152 VanDerWaalsContact O-CB 3.3Å; L148-T152 WeakPolarHBondContact O-CB 3.11Å; L148-T152 PolarHBondContact O-N 3.34Å; L148-T152 PolarHBondContact O-OG1 3.31Å |
| 149 | A | 96.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L111 S145 F151 T152 I153 | L111-A149 HydrophobicContact CD1-CB 3.81Å; S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 3.11Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 3.36Å; A149-T152 PolarHBondContact O-N 3.31Å; A149-I153 WeakPolarHBondContact O-CD1 3.28Å; A149-I153 VanDerWaalsContact O-CG1 3.24Å; A149-I153 WeakPolarHBondContact O-CG1 3.07Å; A149-I153 PolarHBondContact O-N 3.43Å |
| 150 | G | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S146 W147 V154 | S146-G150 PolarHBondContact O-N 2.92Å; S146-G150 VanDerWaalsContact O-N 3.09Å; W147-G150 PolarHBondContact O-N 3.22Å; G150-V154 WeakPolarHBondContact O-CG2 3.4Å; G150-V154 PolarHBondContact O-N 3.39Å |
| 151 | F | 97.1 | Very high | 94.9 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 175.8 | 179 | -89.4 | 0 | 0 | 0 | 111 | F100 F104 W147 L148 A149 I153 V154 F155 | F100-F151 HydrophobicContact CE1-CE2 4.45Å; F100-F151 HydrophobicContact CE2-CE2 4.41Å; F100-F151 AromaticContact CZ-CD2 3.77Å; F100-F151 HydrophobicContact CZ-CD2 3.77Å; F100-F151 AromaticContact CZ-CE2 3.58Å; F100-F151 HydrophobicContact CZ-CE2 3.58Å; F100-F151 HydrophobicContact CZ-CZ 4.45Å; F104-F151 VanDerWaalsContact CD2-CA 3.5Å; F104-F151 HydrophobicContact CD2-CB 4.03Å; F104-F151 HydrophobicContact CE2-CB 3.66Å; F104-F151 HydrophobicContact CE2-CD2 4.47Å; F104-F151 HydrophobicContact CZ-CB 4.31Å; F104-F151 HydrophobicContact CZ-CD2 4.47Å; W147-F151 WeakPolarHBondContact O-CB 3.33Å; W147-F151 PolarHBondContact O-N 3.19Å; L148-F151 PolarHBondContact O-N 3.12Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 3.36Å; F151-I153 PolarHBondContact O-N 2.89Å; F151-V154 PolarHBondContact O-N 2.77Å; F151-F155 HydrophobicContact CD1-CB 4.18Å; F151-F155 HydrophobicContact CE1-CB 3.92Å; F151-F155 AromaticContact CE1-CD2 4Å; F151-F155 HydrophobicContact CE1-CD2 4Å; F151-F155 AromaticContact CE1-CG 3.89Å; F151-F155 HydrophobicContact CE1-CG 3.89Å; F151-F155 HydrophobicContact CE2-CD2 4.47Å; F151-F155 HydrophobicContact CZ-CB 4.28Å; F151-F155 AromaticContact CZ-CD2 3.7Å; F151-F155 HydrophobicContact CZ-CD2 3.7Å; F151-F155 HydrophobicContact CZ-CE2 4.29Å; F151-F155 HydrophobicContact CZ-CG 4.08Å; F151-F155 WeakPolarHBondContact O-CB 3.08Å; F151-F155 PolarHBondContact O-N 2.85Å |
| 152 | T | 95.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | -174.5 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | L148 A149 V154 C156 | L148-T152 VanDerWaalsContact O-CB 3.3Å; L148-T152 WeakPolarHBondContact O-CB 3.11Å; L148-T152 PolarHBondContact O-N 3.34Å; L148-T152 PolarHBondContact O-OG1 3.31Å; A149-T152 PolarHBondContact O-N 3.31Å; T152-V154 VanDerWaalsContact C-N 3.32Å; T152-V154 PolarHBondContact O-N 2.82Å; T152-C156 PolarHBondContact O-N 2.99Å; T152-C156 VanDerWaalsContact O-N 3.13Å; T152-C156 PolarHBondContact O-SG 2.85Å |
| 153 | I | 92.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -48.2 | 179.1 | -70.5 | 166.3 | 0 | 0 | 0 | 110.4 | T107 A149 F151 A200 V204 | T107-I153 HydrophobicContact CG2-CD1 4.22Å; A149-I153 WeakPolarHBondContact O-CD1 3.28Å; A149-I153 VanDerWaalsContact O-CG1 3.24Å; A149-I153 WeakPolarHBondContact O-CG1 3.07Å; A149-I153 PolarHBondContact O-N 3.43Å; F151-I153 PolarHBondContact O-N 2.89Å; I153-A200 HydrophobicContact CG2-CB 3.89Å; I153-V204 HydrophobicContact CD1-CG2 4.32Å |
| 154 | V | 94.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81.4 | -34.7 | -174.1 | 179.4 | 0 | 0 | 0 | 0 | 112 | F100 F103 F104 G150 F151 T152 Q157 T158 | F100-V154 HydrophobicContact CD2-CG1 3.91Å; F100-V154 HydrophobicContact CE2-CG1 4.28Å; F103-V154 HydrophobicContact CB-CG1 3.83Å; F103-V154 HydrophobicContact CB-CG2 4.06Å; F104-V154 HydrophobicContact CB-CB 4.38Å; F104-V154 HydrophobicContact CB-CG1 4.35Å; G150-V154 WeakPolarHBondContact O-CG2 3.4Å; G150-V154 PolarHBondContact O-N 3.39Å; F151-V154 PolarHBondContact O-N 2.77Å; T152-V154 VanDerWaalsContact C-N 3.32Å; T152-V154 PolarHBondContact O-N 2.82Å; V154-Q157 PolarHBondContact O-N 3.42Å; V154-T158 WeakPolarHBondContact O-CB 3.15Å; V154-T158 PolarHBondContact O-N 2.93Å; V154-T158 PolarHBondContact O-OG1 3.23Å |
| 155 | F | 94.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 55 Ų | 55 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177 | -177.7 | -96.5 | 0 | 0 | 0 | 111.3 | F100 F151 Q157 T158 M159 | F100-F155 HydrophobicContact CE2-CB 4.17Å; F100-F155 HydrophobicContact CE2-CD2 4.3Å; F151-F155 HydrophobicContact CD1-CB 4.18Å; F151-F155 HydrophobicContact CE1-CB 3.92Å; F151-F155 AromaticContact CE1-CD2 4Å; F151-F155 HydrophobicContact CE1-CD2 4Å; F151-F155 AromaticContact CE1-CG 3.89Å; F151-F155 HydrophobicContact CE1-CG 3.89Å; F151-F155 HydrophobicContact CE2-CD2 4.47Å; F151-F155 HydrophobicContact CZ-CB 4.28Å; F151-F155 AromaticContact CZ-CD2 3.7Å; F151-F155 HydrophobicContact CZ-CD2 3.7Å; F151-F155 HydrophobicContact CZ-CE2 4.29Å; F151-F155 HydrophobicContact CZ-CG 4.08Å; F151-F155 WeakPolarHBondContact O-CB 3.08Å; F151-F155 PolarHBondContact O-N 2.85Å; F155-Q157 VanDerWaalsContact C-N 3.32Å; F155-Q157 PolarHBondContact O-N 3.19Å; F155-T158 PolarHBondContact O-N 3.39Å; F155-T158 VanDerWaalsContact O-N 3.12Å; F155-M159 HydrophobicContact CD1-CG 4.01Å; F155-M159 HydrophobicContact CD2-CE 4.16Å; F155-M159 HydrophobicContact CE1-CG 3.59Å; F155-M159 HydrophobicContact CE1-SD 4.14Å; F155-M159 HydrophobicContact CE2-CE 3.64Å; F155-M159 HydrophobicContact CE2-CG 4.26Å; F155-M159 HydrophobicContact CE2-SD 4.03Å; F155-M159 HydrophobicContact CZ-CE 3.91Å; F155-M159 HydrophobicContact CZ-CG 3.73Å; F155-M159 HydrophobicContact CZ-SD 3.64Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 2.93Å |
| 156 | C | 91.4 | Very high | 92.6 | Very high | 72 Ų | 72 | 53 Ų | 53 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 112.2 | T152 L160 | T152-C156 PolarHBondContact O-N 2.99Å; T152-C156 VanDerWaalsContact O-N 3.13Å; T152-C156 PolarHBondContact O-SG 2.85Å; C156-L160 PolarHBondContact O-N 3.25Å |
| 157 | Q | 90.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.2 | -65.7 | 178.6 | 8.2 | 0 | 0 | 111.7 | V154 F155 M159 L160 L161 L193 L196 | V154-Q157 PolarHBondContact O-N 3.42Å; F155-Q157 VanDerWaalsContact C-N 3.32Å; F155-Q157 PolarHBondContact O-N 3.19Å; Q157-M159 PolarHBondContact O-N 2.96Å; Q157-L160 PolarHBondContact O-N 3.33Å; Q157-L161 WeakPolarHBondContact O-CB 3.43Å; Q157-L161 PolarHBondContact O-N 3.43Å; Q157-L193 HydrophobicContact CB-CD2 4.25Å; Q157-L193 VanDerWaalsContact O-CD2 3.28Å; Q157-L193 WeakPolarHBondContact O-CD2 3.47Å; Q157-L196 HydrophobicContact CG-CB 4.21Å; Q157-L196 PolarHBondContact NE2-O 3.08Å; Q157-L196 VanDerWaalsContact NE2-O 3.14Å |
| 158 | T | 91.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | F100 V154 F155 L160 L161 V162 | F100-T158 HydrophobicContact CB-CG2 4.21Å; F100-T158 HydrophobicContact CD2-CG2 4.14Å; F100-T158 WeakPolarHBondContact CD2-OG1 3.3Å; V154-T158 WeakPolarHBondContact O-CB 3.15Å; V154-T158 PolarHBondContact O-N 2.93Å; V154-T158 PolarHBondContact O-OG1 3.23Å; F155-T158 PolarHBondContact O-N 3.39Å; F155-T158 VanDerWaalsContact O-N 3.12Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.31Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.13Å; T158-L161 VanDerWaalsContact O-N 3.17Å; T158-V162 HydrophobicContact CG2-CG2 4.2Å; T158-V162 VanDerWaalsContact O-CG2 3.26Å; T158-V162 WeakPolarHBondContact O-CG2 3.23Å; T158-V162 PolarHBondContact O-N 3.42Å |
| 159 | M | 92.4 | Very high | 89.8 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.8 | -69.6 | -58.3 | 98.8 | 0 | 0 | 112.1 | F155 Q157 Q163 | F155-M159 HydrophobicContact CD1-CG 4.01Å; F155-M159 HydrophobicContact CD2-CE 4.16Å; F155-M159 HydrophobicContact CE1-CG 3.59Å; F155-M159 HydrophobicContact CE1-SD 4.14Å; F155-M159 HydrophobicContact CE2-CE 3.64Å; F155-M159 HydrophobicContact CE2-CG 4.26Å; F155-M159 HydrophobicContact CE2-SD 4.03Å; F155-M159 HydrophobicContact CZ-CE 3.91Å; F155-M159 HydrophobicContact CZ-CG 3.73Å; F155-M159 HydrophobicContact CZ-SD 3.64Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 2.93Å; Q157-M159 PolarHBondContact O-N 2.96Å; M159-Q163 WeakPolarHBondContact O-CG 3.26Å |
| 160 | L | 90.9 | Very high | 89.2 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 173.7 | -64.9 | 173.5 | 0 | 0 | 0 | 111.5 | C156 Q157 T158 Q163 I192 L193 L196 | C156-L160 PolarHBondContact O-N 3.25Å; Q157-L160 PolarHBondContact O-N 3.33Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.31Å; L160-Q163 PolarHBondContact O-N 2.94Å; L160-I192 HydrophobicContact CD1-CG2 4.45Å; L160-L193 HydrophobicContact CB-CD1 4.29Å; L160-L193 HydrophobicContact CB-CD2 3.87Å; L160-L193 HydrophobicContact CB-CG 4.15Å; L160-L196 HydrophobicContact CD1-CD1 3.64Å |
| 161 | L | 89.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 179.7 | -178.2 | 60.2 | 0 | 0 | 0 | 112.7 | L96 Q157 T158 Q163 L164 F166 I182 L183 L193 | L96-L161 HydrophobicContact CD2-CD2 3.65Å; L96-L161 HydrophobicContact CD2-CG 3.75Å; Q157-L161 WeakPolarHBondContact O-CB 3.43Å; Q157-L161 PolarHBondContact O-N 3.43Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.13Å; T158-L161 VanDerWaalsContact O-N 3.17Å; L161-Q163 PolarHBondContact O-N 3.21Å; L161-L164 HydrophobicContact CD1-CD1 3.99Å; L161-L164 WeakPolarHBondContact O-CB 3.4Å; L161-L164 PolarHBondContact O-N 2.75Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-F166 HydrophobicContact CD1-CZ 4.24Å; L161-I182 HydrophobicContact CD1-CG2 3.92Å; L161-I182 HydrophobicContact CD2-CG2 4.46Å; L161-L183 HydrophobicContact CD1-CD2 3.68Å; L161-L193 HydrophobicContact CB-CD1 4.4Å; L161-L193 HydrophobicContact CB-CD2 4.4Å; L161-L193 HydrophobicContact CD1-CD1 4.39Å |
| 162 | V | 90.1 | Very high | 87.8 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -25.8 | 179.5 | 171.4 | 0 | 0 | 0 | 0 | 112 | L96 T158 L164 | L96-V162 HydrophobicContact CD1-CG2 3.94Å; T158-V162 HydrophobicContact CG2-CG2 4.2Å; T158-V162 VanDerWaalsContact O-CG2 3.26Å; T158-V162 WeakPolarHBondContact O-CG2 3.23Å; T158-V162 PolarHBondContact O-N 3.42Å; V162-L164 VanDerWaalsContact C-N 3.3Å |
| 163 | Q | 88.9 | Confident | 87 | Confident | 153 Ų | 153 | 54 Ų | 54 | 72% | 0.715 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.4 | 178.3 | -67.5 | 178.3 | -4.2 | 0 | 0 | 113.4 | M159 L160 L161 | M159-Q163 WeakPolarHBondContact O-CG 3.26Å; L160-Q163 PolarHBondContact O-N 2.94Å; L161-Q163 PolarHBondContact O-N 3.21Å |
| 164 | L | 87.3 | Confident | 86.3 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -74.3 | 136.3 | -177.8 | -69.9 | 179.9 | 0 | 0 | 0 | 112.2 | L161 V162 F166 L183 A186 A188 T190 L193 | L161-L164 HydrophobicContact CD1-CD1 3.99Å; L161-L164 WeakPolarHBondContact O-CB 3.4Å; L161-L164 PolarHBondContact O-N 2.75Å; L161-L164 VanDerWaalsContact O-N 3.16Å; V162-L164 VanDerWaalsContact C-N 3.3Å; L164-F166 HydrophobicContact CB-CZ 4.35Å; L164-F166 WeakPolarHBondContact O-CD2 3.29Å; L164-F166 PolarHBondContact O-N 3.46Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; L164-A186 HydrophobicContact CB-CB 4.26Å; L164-A186 HydrophobicContact CD1-CB 3.97Å; L164-A188 HydrophobicContact CD2-CB 3.96Å; L164-T190 HydrophobicContact CD1-CG2 3.98Å; L164-L193 HydrophobicContact CD1-CD1 3.47Å; L164-L193 VanDerWaalsContact CD1-CD1 3.47Å; L164-L193 HydrophobicContact CG-CD1 4.11Å |
| 165 | P | 86.5 | Confident | 85.4 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | trans | -74.4 | 120.4 | 170.7 | 29.8 | -32.6 | 0 | 0 | 0 | 110.4 | A186 C187 A188 | P165-A186 WeakPolarHBondContact O-CA 3.12Å; P165-C187 PolarHBondContact O-N 2.93Å; P165-A188 HydrophobicContact CG-CB 3.85Å | ||
| 166 | F | 85.2 | Confident | 84.8 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 110.1 | 172.7 | -60.4 | -73.1 | 0 | 0 | 0 | 110.2 | I7 F10 T92 L96 L161 L164 I182 A185 A186 | I7-F166 HydrophobicContact CB-CB 4.13Å; I7-F166 HydrophobicContact CD1-CB 4.21Å; I7-F166 HydrophobicContact CG1-CB 4.48Å; I7-F166 WeakPolarHBondContact CG1-O 3.44Å; I7-F166 PolarHBondContact N-O 3.44Å; F10-F166 HydrophobicContact CZ-CB 4.46Å; F10-F166 HydrophobicContact CZ-CD1 4.02Å; F10-F166 HydrophobicContact CZ-CE1 4.48Å; F10-F166 HydrophobicContact CZ-CG 4.14Å; T92-F166 HydrophobicContact CG2-CD2 4Å; T92-F166 HydrophobicContact CG2-CE2 4.23Å; L96-F166 HydrophobicContact CD1-CE2 4.32Å; L96-F166 HydrophobicContact CD2-CZ 4.27Å; L161-F166 HydrophobicContact CD1-CZ 4.24Å; L164-F166 HydrophobicContact CB-CZ 4.35Å; L164-F166 WeakPolarHBondContact O-CD2 3.29Å; L164-F166 PolarHBondContact O-N 3.46Å; F166-I182 HydrophobicContact CE1-CG2 3.6Å; F166-I182 HydrophobicContact CZ-CG2 3.89Å; F166-A185 HydrophobicContact CD1-CB 4.47Å; F166-A186 HydrophobicContact CD1-CB 4.28Å; F166-A186 HydrophobicContact CE1-CB 4.26Å |
| 167 | C | 81.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 46% | 0.459 | 26% | 0.256 | S | S | . | . | trans | -138.4 | 3.5 | 179.8 | 92.9 | 0 | 0 | 0 | 0 | 113.9 | A185 C187 | C167-A185 PolarHBondContact N-O 3.13Å; C167-C187 WeakPolarHBondContact CA-SG 3.4Å; C167-C187 HydrophobicContact CB-CB 3.94Å; C167-C187 WeakPolarHBondContact CB-SG 3.45Å; C167-C187 PolarHBondContact N-SG 2.99Å; C167-C187 WeakPolarHBondContact SG-CB 3.26Å; C167-C187 CovalentContact SG-SG 2Å; C167-C187 PolarHBondContact SG-SG 3.27Å | ||
| 168 | G | 75 | Confident | 84.1 | Confident | 35 Ų | 35 | 46 Ų | 46 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -78.6 | -153.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I7 A185 C187 | I7-G168 VanDerWaalsContact CD1-O 3.23Å; I7-G168 WeakPolarHBondContact CD1-O 3.48Å; G168-A185 PolarHBondContact N-O 3.49Å; G168-C187 PolarHBondContact N-SG 3.03Å; G168-C187 VanDerWaalsContact N-SG 3.36Å |
| 169 | N | 79.9 | Confident | 83.6 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | trans | -71.9 | 131 | 173.2 | -169.9 | 5 | 0 | 0 | 0 | 109.6 | V171 | N169-V171 PolarHBondContact O-N 3.43Å; N169-V171 WeakPolarHBondContact OD1-CG2 3.35Å; N169-V171 PolarHBondContact OD1-N 3.46Å | ||
| 170 | N | 82.9 | Confident | 83 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | trans | -81.1 | 8.6 | 178.8 | 73.2 | -25.6 | 0 | 0 | 0 | 113.5 | I7 E9 F10 I11 | I7-N170 HydrophobicContact CD1-CB 4.15Å; I7-N170 HydrophobicContact CG1-CB 4.42Å; I7-N170 HydrophobicContact CG2-CB 3.65Å; E9-N170 WeakPolarHBondContact O-CB 3.38Å; E9-N170 PolarHBondContact O-ND2 3.26Å; F10-N170 CarbonylContact C-O 3.51Å; F10-N170 VanDerWaalsContact CA-O 3.27Å; F10-N170 WeakPolarHBondContact CA-O 3.34Å; F10-N170 HydrophobicContact CD1-CB 4.43Å; I11-N170 PolarHBondContact N-O 3.24Å | ||
| 171 | V | 82.6 | Confident | 82.5 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.3 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | I11 L13 N169 | I11-V171 HydrophobicContact CB-CG2 4.39Å; I11-V171 HydrophobicContact CD1-CG2 4.16Å; L13-V171 HydrophobicContact CD1-CG1 3.29Å; L13-V171 HydrophobicContact CG-CG1 3.72Å; N169-V171 PolarHBondContact O-N 3.43Å; N169-V171 WeakPolarHBondContact OD1-CG2 3.35Å; N169-V171 PolarHBondContact OD1-N 3.46Å |
| 172 | I | 81 | Confident | 82.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.2 | 173.3 | -69.5 | 177 | 0 | 0 | 0 | 108.4 | F10 I11 L12 L13 H174 P181 I182 | F10-I172 HydrophobicContact CB-CD1 3.79Å; F10-I172 HydrophobicContact CB-CG1 4.27Å; F10-I172 HydrophobicContact CD1-CD1 3.78Å; F10-I172 HydrophobicContact CD1-CG1 3.96Å; F10-I172 HydrophobicContact CD2-CD1 4.12Å; F10-I172 HydrophobicContact CE1-CD1 4.38Å; F10-I172 HydrophobicContact CG-CD1 3.64Å; F10-I172 HydrophobicContact CG-CG1 4.24Å; I11-I172 PolarHBondContact O-N 3.2Å; L12-I172 HydrophobicContact CD2-CB 4.02Å; L12-I172 HydrophobicContact CD2-CD1 4.49Å; L12-I172 HydrophobicContact CD2-CG2 3.82Å; L13-I172 PolarHBondContact N-O 3.47Å; I172-H174 HydrophobicContact CG2-CB 3.72Å; I172-H174 PolarHBondContact O-N 2.98Å; I172-P181 HydrophobicContact CG2-CB 3.84Å; I172-I182 HydrophobicContact CD1-CG1 3.96Å |
| 173 | N | 79.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 39 Ų | 39 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -76.9 | 55.9 | 176.4 | -167.8 | 18.4 | 0 | 0 | 0 | 112.3 | L13 K270 | L13-N173 HydrophobicContact CD1-CB 3.9Å; N173-K270 WeakPolarHBondContact O-CE 3.44Å; N173-K270 PolarHBondContact O-NZ 3.44Å; N173-K270 PolarHBondContact OD1-NZ 2.83Å |
| 174 | H | 77.9 | Confident | 81.7 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.069 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -150.7 | 168.6 | -179.8 | -146.7 | -86.4 | 0 | 0 | 0 | 110.8 | L13 G14 I172 Y176 | L13-H174 PolarHBondContact N-O 3.27Å; G14-H174 PolarHBondContact N-O 3.08Å; G14-H174 VanDerWaalsContact N-O 3.14Å; I172-H174 HydrophobicContact CG2-CB 3.72Å; I172-H174 PolarHBondContact O-N 2.98Å; H174-Y176 VanDerWaalsContact CB-O 3.31Å; H174-Y176 WeakPolarHBondContact CB-O 3.31Å; H174-Y176 AromaticContact CE1-CD1 3.46Å; H174-Y176 VanDerWaalsContact CE1-CD1 3.46Å; H174-Y176 WeakPolarHBondContact CE1-CD1 3.43Å; H174-Y176 AromaticContact CE1-CE1 3.06Å; H174-Y176 WeakPolarHBondContact CE1-CE1 3.45Å; H174-Y176 AromaticContact CE1-CZ 3.44Å; H174-Y176 VanDerWaalsContact CE1-CZ 3.44Å; H174-Y176 AromaticContact ND1-CD1 3.36Å; H174-Y176 WeakPolarHBondContact ND1-CD1 3.41Å; H174-Y176 AromaticContact ND1-CE1 3.44Å; H174-Y176 WeakPolarHBondContact ND1-CE1 3.28Å; H174-Y176 AromaticContact ND1-CG 3.7Å; H174-Y176 AromaticContact ND1-CZ 3.78Å; H174-Y176 PolarHBondContact ND1-N 3.28Å; H174-Y176 PolarHBondContact ND1-O 2.83Å |
| 175 | F | 76.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.9 | -5 | 176.3 | 62.6 | -89 | 0 | 0 | 0 | 113.4 | F15 V75 L79 K270 V274 | F15-F175 HydrophobicContact CE2-CB 4.27Å; F15-F175 AromaticContact CE2-CD1 3.99Å; F15-F175 HydrophobicContact CE2-CD1 3.99Å; F15-F175 HydrophobicContact CE2-CG 4.22Å; F15-F175 HydrophobicContact CZ-CD1 4.08Å; F15-F175 HydrophobicContact CZ-CE1 4.43Å; V75-F175 HydrophobicContact CG1-CD2 4.16Å; V75-F175 HydrophobicContact CG1-CE2 3.69Å; L79-F175 HydrophobicContact CB-CD2 4Å; L79-F175 HydrophobicContact CD1-CB 3.7Å; L79-F175 HydrophobicContact CD1-CD2 3.7Å; L79-F175 HydrophobicContact CD1-CG 3.85Å; L79-F175 HydrophobicContact CD2-CD2 4.05Å; L79-F175 HydrophobicContact CD2-CE2 4.14Å; L79-F175 HydrophobicContact CG-CD2 4.12Å; F175-K270 HydrophobicContact CD1-CB 4.4Å; F175-K270 HydrophobicContact CD1-CG 4.35Å; F175-K270 HydrophobicContact CE1-CB 4.38Å; F175-V274 HydrophobicContact CD1-CG2 4.12Å; F175-V274 HydrophobicContact CD2-CG2 4.44Å; F175-V274 HydrophobicContact CE1-CG2 3.54Å; F175-V274 HydrophobicContact CE2-CG2 3.85Å; F175-V274 HydrophobicContact CZ-CB 4.4Å; F175-V274 HydrophobicContact CZ-CG2 3.38Å |
| 176 | Y | 80.9 | Confident | 81.5 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -145.1 | 170.7 | 170.7 | 67.3 | -99.7 | 0 | 0 | 0 | 109.3 | V75 H102 H174 D178 | V75-Y176 HydrophobicContact CG1-CD1 3.79Å; V75-Y176 HydrophobicContact CG1-CG 4.24Å; H102-Y176 AromaticContact CD2-CE2 3.94Å; H102-Y176 AromaticContact NE2-CE2 3.77Å; H102-Y176 AromaticContact NE2-CZ 3.74Å; H174-Y176 VanDerWaalsContact CB-O 3.31Å; H174-Y176 WeakPolarHBondContact CB-O 3.31Å; H174-Y176 AromaticContact CE1-CD1 3.46Å; H174-Y176 VanDerWaalsContact CE1-CD1 3.46Å; H174-Y176 WeakPolarHBondContact CE1-CD1 3.43Å; H174-Y176 AromaticContact CE1-CE1 3.06Å; H174-Y176 WeakPolarHBondContact CE1-CE1 3.45Å; H174-Y176 AromaticContact CE1-CZ 3.44Å; H174-Y176 VanDerWaalsContact CE1-CZ 3.44Å; H174-Y176 AromaticContact ND1-CD1 3.36Å; H174-Y176 WeakPolarHBondContact ND1-CD1 3.41Å; H174-Y176 AromaticContact ND1-CE1 3.44Å; H174-Y176 WeakPolarHBondContact ND1-CE1 3.28Å; H174-Y176 AromaticContact ND1-CG 3.7Å; H174-Y176 AromaticContact ND1-CZ 3.78Å; H174-Y176 PolarHBondContact ND1-N 3.28Å; H174-Y176 PolarHBondContact ND1-O 2.83Å; Y176-D178 HydrophobicContact CD2-CB 4.17Å; Y176-D178 HydrophobicContact CE2-CB 3.61Å; Y176-D178 PolarHBondContact O-N 3.38Å |
| 177 | C | 84 | Confident | 81.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -74.6 | 86 | 177.3 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | C95 Q98 A99 I182 | C95-C177 WeakPolarHBondContact CA-SG 3.36Å; C95-C177 HydrophobicContact CB-CB 3.98Å; C95-C177 WeakPolarHBondContact CB-SG 3.13Å; C95-C177 WeakPolarHBondContact O-CB 3.27Å; C95-C177 WeakPolarHBondContact SG-CB 3.33Å; C95-C177 CovalentContact SG-SG 2.01Å; C95-C177 PolarHBondContact SG-SG 3.21Å; Q98-C177 HydrophobicContact CB-CB 4.35Å; A99-C177 HydrophobicContact CB-CB 4.4Å; A99-C177 VanDerWaalsContact CB-O 3.31Å; A99-C177 WeakPolarHBondContact CB-O 3.43Å; C177-I182 HydrophobicContact CB-CD1 3.97Å | ||
| 178 | D | 82.7 | Confident | 81.9 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -85 | 143.2 | 174.6 | -176 | 36.3 | 0 | 0 | 0 | 111.5 | F103 Y176 G180 P181 I182 | F103-D178 WeakPolarHBondContact CZ-OD1 3.29Å; Y176-D178 HydrophobicContact CD2-CB 4.17Å; Y176-D178 HydrophobicContact CE2-CB 3.61Å; Y176-D178 PolarHBondContact O-N 3.38Å; D178-G180 PolarHBondContact O-N 2.95Å; D178-P181 HydrophobicContact CB-CG 4.12Å; D178-P181 WeakPolarHBondContact O-CD 3.31Å; D178-P181 VanDerWaalsContact OD2-CD 3.25Å; D178-P181 WeakPolarHBondContact OD2-CD 3.46Å; D178-I182 WeakPolarHBondContact O-CD1 3.1Å; D178-I182 WeakPolarHBondContact O-CG1 3.3Å; D178-I182 PolarHBondContact O-N 3.03Å | ||
| 179 | V | 80.5 | Confident | 82.5 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | -173.1 | 167 | 0 | 0 | 0 | 0 | 111.5 | F103 I182 L183 | F103-V179 HydrophobicContact CD2-CG2 3.69Å; F103-V179 HydrophobicContact CE2-CB 3.97Å; F103-V179 HydrophobicContact CE2-CG2 3.29Å; F103-V179 HydrophobicContact CZ-CB 4.1Å; F103-V179 HydrophobicContact CZ-CG2 3.87Å; V179-I182 PolarHBondContact O-N 3.13Å; V179-L183 HydrophobicContact CG1-CD1 3.73Å; V179-L183 HydrophobicContact CG1-CG 4Å; V179-L183 VanDerWaalsContact O-CG 3.29Å; V179-L183 WeakPolarHBondContact O-CG 3.22Å; V179-L183 PolarHBondContact O-N 2.92Å |
| 180 | G | 79.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58 | -55 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D178 I182 L183 K184 | D178-G180 PolarHBondContact O-N 2.95Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 2.76Å; G180-L183 PolarHBondContact O-N 3.16Å; G180-K184 PolarHBondContact O-N 3.38Å |
| 181 | P | 80.4 | Confident | 83.2 | Confident | 30 Ų | 30 | 37 Ų | 37 | 20% | 0.195 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.7 | -35.8 | 173.1 | -28.4 | 36.3 | 0 | 0 | 0 | 114.8 | I172 D178 K184 A185 | I172-P181 HydrophobicContact CG2-CB 3.84Å; D178-P181 HydrophobicContact CB-CG 4.12Å; D178-P181 WeakPolarHBondContact O-CD 3.31Å; D178-P181 VanDerWaalsContact OD2-CD 3.25Å; D178-P181 WeakPolarHBondContact OD2-CD 3.46Å; P181-K184 PolarHBondContact O-N 3.29Å; P181-A185 PolarHBondContact O-N 2.86Å |
| 182 | I | 84.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 176.9 | -67.4 | 164.6 | 0 | 0 | 0 | 110.6 | L96 A99 L161 F166 I172 C177 D178 V179 G180 K184 A185 A186 | L96-I182 HydrophobicContact CD2-CG2 4.22Å; A99-I182 HydrophobicContact CB-CD1 4.14Å; L161-I182 HydrophobicContact CD1-CG2 3.92Å; L161-I182 HydrophobicContact CD2-CG2 4.46Å; F166-I182 HydrophobicContact CE1-CG2 3.6Å; F166-I182 HydrophobicContact CZ-CG2 3.89Å; I172-I182 HydrophobicContact CD1-CG1 3.96Å; C177-I182 HydrophobicContact CB-CD1 3.97Å; D178-I182 WeakPolarHBondContact O-CD1 3.1Å; D178-I182 WeakPolarHBondContact O-CG1 3.3Å; D178-I182 PolarHBondContact O-N 3.03Å; V179-I182 PolarHBondContact O-N 3.13Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 2.76Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 3.15Å; I182-A185 WeakPolarHBondContact O-CB 3.24Å; I182-A185 PolarHBondContact O-N 3.08Å; I182-A186 PolarHBondContact O-N 3.13Å |
| 183 | L | 84.2 | Confident | 83.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 178.2 | -68.6 | 177.5 | 0 | 0 | 0 | 111.7 | L161 L164 V179 G180 A185 A186 T190 L193 E194 | L161-L183 HydrophobicContact CD1-CD2 3.68Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; V179-L183 HydrophobicContact CG1-CD1 3.73Å; V179-L183 HydrophobicContact CG1-CG 4Å; V179-L183 VanDerWaalsContact O-CG 3.29Å; V179-L183 WeakPolarHBondContact O-CG 3.22Å; V179-L183 PolarHBondContact O-N 2.92Å; G180-L183 PolarHBondContact O-N 3.16Å; L183-A185 PolarHBondContact O-N 3.03Å; L183-A186 VanDerWaalsContact O-CB 3.31Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 2.83Å; L183-T190 HydrophobicContact CB-CG2 4.03Å; L183-T190 HydrophobicContact CD2-CG2 3.81Å; L183-T190 HydrophobicContact CG-CG2 4.46Å; L183-L193 HydrophobicContact CD1-CB 4.28Å; L183-L193 HydrophobicContact CD2-CB 4.01Å; L183-L193 HydrophobicContact CD2-CD1 3.81Å; L183-L193 HydrophobicContact CD2-CG 4.48Å; L183-E194 HydrophobicContact CD1-CG 3.83Å |
| 184 | K | 83.9 | Confident | 84.3 | Confident | 161 Ų | 161 | 42.7 Ų | 42.7 | 70% | 0.7 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20 | 174.4 | -71.5 | -178.9 | 179.6 | -177.8 | 0 | 114.4 | G180 P181 I182 | G180-K184 PolarHBondContact O-N 3.38Å; P181-K184 PolarHBondContact O-N 3.29Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 3.15Å |
| 185 | A | 83.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | F10 F166 C167 G168 P181 I182 L183 | F10-A185 HydrophobicContact CE1-CB 3.92Å; F166-A185 HydrophobicContact CD1-CB 4.47Å; C167-A185 PolarHBondContact N-O 3.13Å; G168-A185 PolarHBondContact N-O 3.49Å; P181-A185 PolarHBondContact O-N 2.86Å; I182-A185 WeakPolarHBondContact O-CB 3.24Å; I182-A185 PolarHBondContact O-N 3.08Å; L183-A185 PolarHBondContact O-N 3.03Å |
| 186 | A | 86.6 | Confident | 85.3 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 152.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L164 P165 F166 I182 L183 T190 | L164-A186 HydrophobicContact CB-CB 4.26Å; L164-A186 HydrophobicContact CD1-CB 3.97Å; P165-A186 WeakPolarHBondContact O-CA 3.12Å; F166-A186 HydrophobicContact CD1-CB 4.28Å; F166-A186 HydrophobicContact CE1-CB 4.26Å; I182-A186 PolarHBondContact O-N 3.13Å; L183-A186 VanDerWaalsContact O-CB 3.31Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 2.83Å; A186-T190 HydrophobicContact CB-CG2 3.96Å |
| 187 | C | 86.1 | Confident | 85.6 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -112.4 | 20.2 | -179.8 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | P165 C167 G168 | P165-C187 PolarHBondContact O-N 2.93Å; C167-C187 WeakPolarHBondContact CA-SG 3.4Å; C167-C187 HydrophobicContact CB-CB 3.94Å; C167-C187 WeakPolarHBondContact CB-SG 3.45Å; C167-C187 PolarHBondContact N-SG 2.99Å; C167-C187 WeakPolarHBondContact SG-CB 3.26Å; C167-C187 CovalentContact SG-SG 2Å; C167-C187 PolarHBondContact SG-SG 3.27Å; G168-C187 PolarHBondContact N-SG 3.03Å; G168-C187 VanDerWaalsContact N-SG 3.36Å |
| 188 | A | 88.1 | Confident | 85.6 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -127.4 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L164 P165 T190 | L164-A188 HydrophobicContact CD2-CB 3.96Å; P165-A188 HydrophobicContact CG-CB 3.85Å; A188-T190 PolarHBondContact O-N 3.33Å |
| 189 | D | 86.9 | Confident | 85.9 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | trans | -64 | 121.3 | 175.9 | -177.8 | 18.1 | 0 | 0 | 0 | 110.8 | S191 | D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.05Å; D189-S191 PolarHBondContact OD1-OG 2.86Å | ||
| 190 | T | 89.8 | Confident | 86.3 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | trans | -99.4 | 0.1 | 179.6 | 54 | 0 | 0 | 0 | 0 | 113 | L164 L183 A186 A188 I192 L193 E194 | L164-T190 HydrophobicContact CD1-CG2 3.98Å; L183-T190 HydrophobicContact CB-CG2 4.03Å; L183-T190 HydrophobicContact CD2-CG2 3.81Å; L183-T190 HydrophobicContact CG-CG2 4.46Å; A186-T190 HydrophobicContact CB-CG2 3.96Å; A188-T190 PolarHBondContact O-N 3.33Å; T190-I192 VanDerWaalsContact C-N 3.28Å; T190-I192 PolarHBondContact O-N 2.66Å; T190-I192 VanDerWaalsContact O-N 3.15Å; T190-L193 WeakPolarHBondContact O-CB 3.2Å; T190-L193 PolarHBondContact O-N 2.96Å; T190-E194 PolarHBondContact O-N 3.43Å; T190-E194 PolarHBondContact OG1-OE1 3.15Å; T190-E194 VanDerWaalsContact OG1-OE1 3.07Å | ||
| 191 | S | 88.7 | Confident | 86.5 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.9 | -39.5 | -171.3 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | D189 E194 L195 | D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.05Å; D189-S191 PolarHBondContact OD1-OG 2.86Å; S191-E194 PolarHBondContact O-N 2.06Å; S191-L195 WeakPolarHBondContact O-CB 3.42Å; S191-L195 PolarHBondContact O-N 3.23Å |
| 192 | I | 89.4 | Confident | 86.8 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 59% | 0.59 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 178 | -66.4 | 171.6 | 0 | 0 | 0 | 111.2 | L160 T190 L195 L196 | L160-I192 HydrophobicContact CD1-CG2 4.45Å; T190-I192 VanDerWaalsContact C-N 3.28Å; T190-I192 PolarHBondContact O-N 2.66Å; T190-I192 VanDerWaalsContact O-N 3.15Å; I192-L195 PolarHBondContact O-N 3.13Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.33Å; I192-L196 VanDerWaalsContact O-CG 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 3.45Å |
| 193 | L | 88.9 | Confident | 87 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 178.3 | -85.1 | 159.5 | 0 | 0 | 0 | 111.6 | Q157 L160 L161 L164 L183 T190 L196 G197 | Q157-L193 HydrophobicContact CB-CD2 4.25Å; Q157-L193 VanDerWaalsContact O-CD2 3.28Å; Q157-L193 WeakPolarHBondContact O-CD2 3.47Å; L160-L193 HydrophobicContact CB-CD1 4.29Å; L160-L193 HydrophobicContact CB-CD2 3.87Å; L160-L193 HydrophobicContact CB-CG 4.15Å; L161-L193 HydrophobicContact CB-CD1 4.4Å; L161-L193 HydrophobicContact CB-CD2 4.4Å; L161-L193 HydrophobicContact CD1-CD1 4.39Å; L164-L193 HydrophobicContact CD1-CD1 3.47Å; L164-L193 VanDerWaalsContact CD1-CD1 3.47Å; L164-L193 HydrophobicContact CG-CD1 4.11Å; L183-L193 HydrophobicContact CD1-CB 4.28Å; L183-L193 HydrophobicContact CD2-CB 4.01Å; L183-L193 HydrophobicContact CD2-CD1 3.81Å; L183-L193 HydrophobicContact CD2-CG 4.48Å; T190-L193 WeakPolarHBondContact O-CB 3.2Å; T190-L193 PolarHBondContact O-N 2.96Å; L193-L196 PolarHBondContact O-N 2.9Å; L193-G197 PolarHBondContact O-N 3.19Å |
| 194 | E | 86.8 | Confident | 87.3 | Confident | 104 Ų | 104 | 66.5 Ų | 66.5 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 175.2 | -68.1 | 179.6 | -175.2 | 0 | 0 | 111.6 | L183 T190 S191 G197 L198 | L183-E194 HydrophobicContact CD1-CG 3.83Å; T190-E194 PolarHBondContact O-N 3.43Å; T190-E194 PolarHBondContact OG1-OE1 3.15Å; T190-E194 VanDerWaalsContact OG1-OE1 3.07Å; S191-E194 PolarHBondContact O-N 2.06Å; E194-G197 PolarHBondContact O-N 3.34Å; E194-L198 WeakPolarHBondContact O-CB 3.26Å; E194-L198 PolarHBondContact O-N 3.08Å |
| 195 | L | 86.9 | Confident | 87.4 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 176.1 | 179.6 | 62 | 0 | 0 | 0 | 111.9 | S191 I192 G197 L198 L199 | S191-L195 WeakPolarHBondContact O-CB 3.42Å; S191-L195 PolarHBondContact O-N 3.23Å; I192-L195 PolarHBondContact O-N 3.13Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.36Å; L195-L198 PolarHBondContact O-N 3.46Å; L195-L199 HydrophobicContact CD1-CD1 4.35Å; L195-L199 HydrophobicContact CD1-CG 4.3Å; L195-L199 HydrophobicContact CG-CD1 4.17Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 3.09Å |
| 196 | L | 89.2 | Confident | 87.5 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.8 | -72.1 | 174.9 | 0 | 0 | 0 | 111.5 | Q157 L160 I192 L193 L199 A200 | Q157-L196 HydrophobicContact CG-CB 4.21Å; Q157-L196 PolarHBondContact NE2-O 3.08Å; Q157-L196 VanDerWaalsContact NE2-O 3.14Å; L160-L196 HydrophobicContact CD1-CD1 3.64Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.33Å; I192-L196 VanDerWaalsContact O-CG 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 3.45Å; L193-L196 PolarHBondContact O-N 2.9Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-A200 VanDerWaalsContact O-CB 3.3Å; L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 2.9Å |
| 197 | G | 86.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 E194 L195 A200 T201 | L193-G197 PolarHBondContact O-N 3.19Å; E194-G197 PolarHBondContact O-N 3.34Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.36Å; G197-A200 PolarHBondContact O-N 3.43Å; G197-T201 WeakPolarHBondContact O-CB 3.32Å; G197-T201 PolarHBondContact O-N 3.46Å; G197-T201 PolarHBondContact O-OG1 2.97Å |
| 198 | L | 84.8 | Confident | 88 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 175.9 | -179.5 | 64 | 0 | 0 | 0 | 111.6 | E194 L195 A200 T201 I202 | E194-L198 WeakPolarHBondContact O-CB 3.26Å; E194-L198 PolarHBondContact O-N 3.08Å; L195-L198 PolarHBondContact O-N 3.46Å; L198-A200 PolarHBondContact O-N 3.49Å; L198-T201 PolarHBondContact O-N 3.37Å; L198-I202 HydrophobicContact CD1-CD1 3.86Å; L198-I202 HydrophobicContact CD1-CG1 4.29Å; L198-I202 HydrophobicContact CG-CD1 3.86Å; L198-I202 WeakPolarHBondContact O-CG1 3.38Å; L198-I202 PolarHBondContact O-N 2.83Å |
| 199 | L | 88.8 | Confident | 88.1 | Confident | 98 Ų | 98 | 60 Ų | 60 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.4 | -71.5 | 173.9 | 0 | 0 | 0 | 111.4 | L195 L196 I202 L203 | L195-L199 HydrophobicContact CD1-CD1 4.35Å; L195-L199 HydrophobicContact CD1-CG 4.3Å; L195-L199 HydrophobicContact CG-CD1 4.17Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.34Å; L195-L199 PolarHBondContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 3.41Å; L199-I202 PolarHBondContact O-N 3.01Å; L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 PolarHBondContact O-N 3.23Å |
| 200 | A | 88.1 | Confident | 88.4 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I153 L196 G197 L198 I202 L203 V204 | I153-A200 HydrophobicContact CG2-CB 3.89Å; L196-A200 VanDerWaalsContact O-CB 3.3Å; L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 2.9Å; G197-A200 PolarHBondContact O-N 3.43Å; L198-A200 PolarHBondContact O-N 3.49Å; A200-I202 PolarHBondContact O-N 2.91Å; A200-L203 PolarHBondContact O-N 2.9Å; A200-V204 VanDerWaalsContact O-CB 3.26Å; A200-V204 WeakPolarHBondContact O-CB 3.35Å; A200-V204 WeakPolarHBondContact O-CG2 3.27Å; A200-V204 PolarHBondContact O-N 3.3Å |
| 201 | T | 85.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 177.9 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | G197 L198 I205 P206 Y257 | G197-T201 WeakPolarHBondContact O-CB 3.32Å; G197-T201 PolarHBondContact O-N 3.46Å; G197-T201 PolarHBondContact O-OG1 2.97Å; L198-T201 PolarHBondContact O-N 3.37Å; T201-I205 HydrophobicContact CG2-CD1 4.01Å; T201-I205 WeakPolarHBondContact O-CB 3.41Å; T201-I205 PolarHBondContact O-N 3.49Å; T201-P206 VanDerWaalsContact O-CD 3.25Å; T201-P206 WeakPolarHBondContact O-CD 3.3Å; T201-Y257 HydrophobicContact CG2-CE1 4.4Å |
| 202 | I | 85.8 | Confident | 88.8 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 179.7 | -68.3 | 169.5 | 0 | 0 | 0 | 111.5 | L198 L199 A200 P206 | L198-I202 HydrophobicContact CD1-CD1 3.86Å; L198-I202 HydrophobicContact CD1-CG1 4.29Å; L198-I202 HydrophobicContact CG-CD1 3.86Å; L198-I202 WeakPolarHBondContact O-CG1 3.38Å; L198-I202 PolarHBondContact O-N 2.83Å; L199-I202 PolarHBondContact O-N 3.01Å; A200-I202 PolarHBondContact O-N 2.91Å; I202-P206 WeakPolarHBondContact O-CB 3.18Å; I202-P206 WeakPolarHBondContact O-CD 3.18Å; I202-P206 WeakPolarHBondContact O-CG 3.25Å |
| 203 | L | 89.4 | Confident | 88.9 | Confident | 122 Ų | 122 | 57.9 Ų | 57.9 | 64% | 0.639 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | -180 | 178.7 | 63.2 | 0 | 0 | 0 | 111.3 | L199 A200 G207 | L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 PolarHBondContact O-N 3.23Å; A200-L203 PolarHBondContact O-N 2.9Å; L203-G207 VanDerWaalsContact O-CA 3.25Å; L203-G207 WeakPolarHBondContact O-CA 3.23Å; L203-G207 PolarHBondContact O-N 2.91Å |
| 204 | V | 89 | Confident | 89.3 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -76.8 | -56.1 | -172.3 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | T107 F110 I153 A200 S208 | T107-V204 HydrophobicContact CG2-CG1 4.12Å; T107-V204 HydrophobicContact CG2-CG2 3.86Å; F110-V204 HydrophobicContact CB-CG1 3.69Å; F110-V204 HydrophobicContact CD2-CG1 3.97Å; F110-V204 HydrophobicContact CG-CG1 4.09Å; I153-V204 HydrophobicContact CD1-CG2 4.32Å; A200-V204 VanDerWaalsContact O-CB 3.26Å; A200-V204 WeakPolarHBondContact O-CB 3.35Å; A200-V204 WeakPolarHBondContact O-CG2 3.27Å; A200-V204 PolarHBondContact O-N 3.3Å; V204-S208 WeakPolarHBondContact O-CB 3.47Å; V204-S208 PolarHBondContact O-N 3.38Å; V204-S208 PolarHBondContact O-OG 2.92Å |
| 205 | I | 86.6 | Confident | 89.7 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.8 | -65.5 | -169.7 | -64.4 | 166.5 | 0 | 0 | 0 | 111.2 | F110 T201 G207 S208 L209 Y250 V253 Y257 | F110-I205 HydrophobicContact CD2-CG1 4.16Å; F110-I205 HydrophobicContact CE1-CG1 4.29Å; F110-I205 HydrophobicContact CE2-CD1 4.36Å; F110-I205 HydrophobicContact CE2-CG1 3.84Å; F110-I205 HydrophobicContact CZ-CD1 4.42Å; F110-I205 HydrophobicContact CZ-CG1 3.92Å; T201-I205 HydrophobicContact CG2-CD1 4.01Å; T201-I205 WeakPolarHBondContact O-CB 3.41Å; T201-I205 PolarHBondContact O-N 3.49Å; I205-G207 VanDerWaalsContact C-N 3.31Å; I205-G207 PolarHBondContact O-N 2.89Å; I205-S208 PolarHBondContact O-N 3.42Å; I205-S208 PolarHBondContact O-OG 2.76Å; I205-S208 VanDerWaalsContact O-OG 3.1Å; I205-L209 WeakPolarHBondContact O-CB 3.3Å; I205-L209 PolarHBondContact O-N 3.01Å; I205-Y250 HydrophobicContact CG2-CD1 4.31Å; I205-Y250 HydrophobicContact CG2-CE1 4.42Å; I205-Y250 WeakPolarHBondContact O-CE1 3.36Å; I205-V253 HydrophobicContact CD1-CG1 4.02Å; I205-V253 HydrophobicContact CG2-CG1 3.72Å; I205-Y257 HydrophobicContact CD1-CE2 4.24Å |
| 206 | P | 86.8 | Confident | 90 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 173.6 | -25.6 | 29.9 | 0 | 0 | 0 | 114 | T201 I202 L209 L210 | T201-P206 VanDerWaalsContact O-CD 3.25Å; T201-P206 WeakPolarHBondContact O-CD 3.3Å; I202-P206 WeakPolarHBondContact O-CB 3.18Å; I202-P206 WeakPolarHBondContact O-CD 3.18Å; I202-P206 WeakPolarHBondContact O-CG 3.25Å; P206-L209 PolarHBondContact O-N 2.87Å; P206-L210 WeakPolarHBondContact O-CB 3.45Å; P206-L210 VanDerWaalsContact O-CG 3.23Å; P206-L210 WeakPolarHBondContact O-CG 3.36Å; P206-L210 PolarHBondContact O-N 2.75Å |
| 207 | G | 90.4 | Very high | 90.2 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L203 I205 L210 F211 | L203-G207 VanDerWaalsContact O-CA 3.25Å; L203-G207 WeakPolarHBondContact O-CA 3.23Å; L203-G207 PolarHBondContact O-N 2.91Å; I205-G207 VanDerWaalsContact C-N 3.31Å; I205-G207 PolarHBondContact O-N 2.89Å; G207-L210 PolarHBondContact O-N 2.9Å; G207-F211 WeakPolarHBondContact O-CB 3.37Å; G207-F211 PolarHBondContact O-N 3.16Å |
| 208 | S | 91.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -35 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | V204 I205 F211 T212 Y250 | V204-S208 WeakPolarHBondContact O-CB 3.47Å; V204-S208 PolarHBondContact O-N 3.38Å; V204-S208 PolarHBondContact O-OG 2.92Å; I205-S208 PolarHBondContact O-N 3.42Å; I205-S208 PolarHBondContact O-OG 2.76Å; I205-S208 VanDerWaalsContact O-OG 3.1Å; S208-F211 PolarHBondContact O-N 2.97Å; S208-T212 WeakPolarHBondContact O-CB 3.28Å; S208-T212 PolarHBondContact O-N 3.17Å; S208-T212 PolarHBondContact O-OG1 3.49Å; S208-Y250 VanDerWaalsContact CB-OH 3.24Å; S208-Y250 WeakPolarHBondContact CB-OH 3.29Å; S208-Y250 PolarHBondContact OG-OH 3.47Å |
| 209 | L | 90.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 173.5 | -178.8 | 56.1 | 0 | 0 | 0 | 111.7 | I205 P206 F211 T212 I213 Y250 L254 | I205-L209 WeakPolarHBondContact O-CB 3.3Å; I205-L209 PolarHBondContact O-N 3.01Å; P206-L209 PolarHBondContact O-N 2.87Å; L209-F211 VanDerWaalsContact C-N 3.34Å; L209-F211 PolarHBondContact O-N 2.97Å; L209-T212 WeakPolarHBondContact O-CB 3.44Å; L209-T212 PolarHBondContact O-N 3.42Å; L209-I213 HydrophobicContact CD1-CD1 3.92Å; L209-I213 HydrophobicContact CD1-CG1 4.13Å; L209-I213 HydrophobicContact CG-CD1 3.82Å; L209-I213 HydrophobicContact CG-CG1 4.43Å; L209-I213 VanDerWaalsContact O-CG1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.11Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-Y250 HydrophobicContact CB-CD1 3.75Å; L209-Y250 HydrophobicContact CB-CE1 3.57Å; L209-Y250 HydrophobicContact CB-CG 4.46Å; L209-Y250 HydrophobicContact CD1-CD1 3.9Å; L209-Y250 HydrophobicContact CD1-CD2 3.99Å; L209-Y250 HydrophobicContact CD1-CE1 4.29Å; L209-Y250 HydrophobicContact CD1-CE2 4.39Å; L209-Y250 HydrophobicContact CD1-CG 3.72Å; L209-Y250 HydrophobicContact CD2-CD1 4.16Å; L209-Y250 HydrophobicContact CG-CD1 4.14Å; L209-Y250 HydrophobicContact CG-CE1 4.4Å; L209-Y250 HydrophobicContact CG-CG 4.44Å; L209-L254 HydrophobicContact CD2-CD1 4.05Å |
| 210 | L | 92.4 | Very high | 91.2 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.9 | -75.4 | 172.2 | 0 | 0 | 0 | 110.9 | P206 G207 T212 I213 I214 | P206-L210 WeakPolarHBondContact O-CB 3.45Å; P206-L210 VanDerWaalsContact O-CG 3.23Å; P206-L210 WeakPolarHBondContact O-CG 3.36Å; P206-L210 PolarHBondContact O-N 2.75Å; G207-L210 PolarHBondContact O-N 2.9Å; L210-T212 VanDerWaalsContact C-N 3.29Å; L210-T212 PolarHBondContact O-N 3.1Å; L210-I213 PolarHBondContact O-N 3.02Å; L210-I214 WeakPolarHBondContact O-CB 3.27Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.27Å; L210-I214 PolarHBondContact O-N 3.42Å |
| 211 | F | 94.4 | Very high | 91.5 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 175.3 | -177.6 | -94.8 | 0 | 0 | 0 | 112 | G114 S117 F118 G207 S208 L209 S215 | G114-F211 WeakPolarHBondContact O-CE1 3.26Å; S117-F211 WeakPolarHBondContact OG-CD1 3.43Å; S117-F211 WeakPolarHBondContact OG-CE1 3.49Å; F118-F211 HydrophobicContact CB-CE1 3.96Å; F118-F211 HydrophobicContact CB-CZ 3.99Å; F118-F211 HydrophobicContact CD2-CZ 4.09Å; F118-F211 HydrophobicContact CG-CZ 4.39Å; G207-F211 WeakPolarHBondContact O-CB 3.37Å; G207-F211 PolarHBondContact O-N 3.16Å; S208-F211 PolarHBondContact O-N 2.97Å; L209-F211 VanDerWaalsContact C-N 3.34Å; L209-F211 PolarHBondContact O-N 2.97Å; F211-S215 WeakPolarHBondContact O-CB 3.43Å; F211-S215 PolarHBondContact O-N 3.3Å; F211-S215 PolarHBondContact O-OG 2.82Å |
| 212 | T | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | S208 L209 L210 I214 S215 Y216 V246 | S208-T212 WeakPolarHBondContact O-CB 3.28Å; S208-T212 PolarHBondContact O-N 3.17Å; S208-T212 PolarHBondContact O-OG1 3.49Å; L209-T212 WeakPolarHBondContact O-CB 3.44Å; L209-T212 PolarHBondContact O-N 3.42Å; L210-T212 VanDerWaalsContact C-N 3.29Å; L210-T212 PolarHBondContact O-N 3.1Å; T212-I214 PolarHBondContact O-N 2.53Å; T212-S215 WeakPolarHBondContact O-CB 3.27Å; T212-S215 PolarHBondContact O-N 3.35Å; T212-Y216 HydrophobicContact CG2-CD2 3.74Å; T212-Y216 HydrophobicContact CG2-CE2 3.93Å; T212-Y216 VanDerWaalsContact O-CD2 3.28Å; T212-Y216 WeakPolarHBondContact O-CD2 3.15Å; T212-Y216 PolarHBondContact O-N 2.99Å; T212-V246 HydrophobicContact CG2-CG1 3.79Å; T212-V246 HydrophobicContact CG2-CG2 4.25Å |
| 213 | I | 92.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 178.8 | -71.5 | 169.4 | 0 | 0 | 0 | 110.8 | L209 L210 S215 Y216 I217 | L209-I213 HydrophobicContact CD1-CD1 3.92Å; L209-I213 HydrophobicContact CD1-CG1 4.13Å; L209-I213 HydrophobicContact CG-CD1 3.82Å; L209-I213 HydrophobicContact CG-CG1 4.43Å; L209-I213 VanDerWaalsContact O-CG1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.11Å; L209-I213 PolarHBondContact O-N 3.03Å; L210-I213 PolarHBondContact O-N 3.02Å; I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 3.37Å; I213-Y216 PolarHBondContact O-N 3.28Å; I213-Y216 VanDerWaalsContact O-N 3.13Å; I213-I217 HydrophobicContact CG2-CD1 3.79Å; I213-I217 HydrophobicContact CG2-CG1 4.35Å; I213-I217 WeakPolarHBondContact O-CG1 3.21Å; I213-I217 PolarHBondContact O-N 2.92Å |
| 214 | I | 95.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 178.5 | -69.2 | 166.3 | 0 | 0 | 0 | 110.2 | L210 T212 Y216 I217 Y218 | L210-I214 WeakPolarHBondContact O-CB 3.27Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.27Å; L210-I214 PolarHBondContact O-N 3.42Å; T212-I214 PolarHBondContact O-N 2.53Å; I214-Y216 VanDerWaalsContact C-N 3.26Å; I214-Y216 PolarHBondContact O-N 3.48Å; I214-I217 PolarHBondContact O-N 3.27Å; I214-Y218 HydrophobicContact CG2-CD2 3.98Å; I214-Y218 HydrophobicContact CG2-CE2 3.65Å; I214-Y218 WeakPolarHBondContact O-CD2 3.29Å; I214-Y218 PolarHBondContact O-N 2.83Å |
| 215 | S | 95.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 176.5 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | F211 T212 I213 Y218 I219 | F211-S215 WeakPolarHBondContact O-CB 3.43Å; F211-S215 PolarHBondContact O-N 3.3Å; F211-S215 PolarHBondContact O-OG 2.82Å; T212-S215 WeakPolarHBondContact O-CB 3.27Å; T212-S215 PolarHBondContact O-N 3.35Å; I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 3.37Å; S215-Y218 PolarHBondContact O-N 3.49Å; S215-I219 VanDerWaalsContact O-CG1 3.26Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 2.89Å |
| 216 | Y | 92.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.7 | -28.1 | -178.2 | -87.8 | -79.1 | 0 | 0 | 0 | 114.9 | T212 I213 I214 Y218 I219 L220 C239 H242 L243 | T212-Y216 HydrophobicContact CG2-CD2 3.74Å; T212-Y216 HydrophobicContact CG2-CE2 3.93Å; T212-Y216 VanDerWaalsContact O-CD2 3.28Å; T212-Y216 WeakPolarHBondContact O-CD2 3.15Å; T212-Y216 PolarHBondContact O-N 2.99Å; I213-Y216 PolarHBondContact O-N 3.28Å; I213-Y216 VanDerWaalsContact O-N 3.13Å; I214-Y216 VanDerWaalsContact C-N 3.26Å; I214-Y216 PolarHBondContact O-N 3.48Å; Y216-Y218 VanDerWaalsContact C-N 3.34Å; Y216-I219 HydrophobicContact CD1-CB 4.41Å; Y216-I219 HydrophobicContact CD1-CD1 3.95Å; Y216-I219 HydrophobicContact CD1-CG2 4.45Å; Y216-I219 HydrophobicContact CE1-CD1 3.96Å; Y216-I219 HydrophobicContact CG-CD1 4.24Å; Y216-I219 PolarHBondContact O-N 3.31Å; Y216-L220 VanDerWaalsContact O-CB 3.26Å; Y216-L220 WeakPolarHBondContact O-CB 3.39Å; Y216-L220 PolarHBondContact O-N 2.89Å; Y216-C239 HydrophobicContact CE1-CB 3.84Å; Y216-H242 AromaticContact CE2-CE1 3.99Å; Y216-H242 AromaticContact CE2-ND1 3.55Å; Y216-H242 AromaticContact CZ-ND1 3.6Å; Y216-H242 PolarHBondContact OH-ND1 2.98Å; Y216-L243 HydrophobicContact CD1-CD1 3.8Å; Y216-L243 HydrophobicContact CD1-CD2 3.51Å; Y216-L243 HydrophobicContact CD1-CG 3.81Å; Y216-L243 HydrophobicContact CD2-CD2 3.83Å; Y216-L243 HydrophobicContact CE1-CD1 3.54Å; Y216-L243 HydrophobicContact CE1-CD2 3.44Å; Y216-L243 VanDerWaalsContact CE1-CD2 3.44Å; Y216-L243 HydrophobicContact CE1-CG 3.3Å; Y216-L243 HydrophobicContact CE2-CD2 3.78Å; Y216-L243 HydrophobicContact CE2-CG 4.28Å; Y216-L243 HydrophobicContact CG-CD2 3.7Å; Y216-L243 HydrophobicContact CG-CG 4.47Å |
| 217 | I | 94.4 | Very high | 92.7 | Very high | 98 Ų | 98 | 65.9 Ų | 65.9 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 169.1 | -71.5 | 166.2 | 0 | 0 | 0 | 109.8 | I213 I214 S221 | I213-I217 HydrophobicContact CG2-CD1 3.79Å; I213-I217 HydrophobicContact CG2-CG1 4.35Å; I213-I217 WeakPolarHBondContact O-CG1 3.21Å; I213-I217 PolarHBondContact O-N 2.92Å; I214-I217 PolarHBondContact O-N 3.27Å; I217-S221 VanDerWaalsContact O-CB 3.31Å; I217-S221 WeakPolarHBondContact O-CB 3.08Å; I217-S221 PolarHBondContact O-N 2.85Å; I217-S221 PolarHBondContact O-OG 3.49Å |
| 218 | Y | 95.3 | Very high | 92.9 | Very high | 133 Ų | 133 | 67 Ų | 67 | 52% | 0.522 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 176.7 | -74 | -68.3 | 0 | 0 | 0 | 112.6 | Y121 C125 I214 S215 Y216 S221 T222 | Y121-Y218 HydrophobicContact CE2-CD2 4.26Å; Y121-Y218 HydrophobicContact CE2-CG 4.06Å; C125-Y218 VanDerWaalsContact SG-C 3.6Å; I214-Y218 HydrophobicContact CG2-CD2 3.98Å; I214-Y218 HydrophobicContact CG2-CE2 3.65Å; I214-Y218 WeakPolarHBondContact O-CD2 3.29Å; I214-Y218 PolarHBondContact O-N 2.83Å; S215-Y218 PolarHBondContact O-N 3.49Å; Y216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-S221 PolarHBondContact O-N 3.38Å; Y218-T222 WeakPolarHBondContact O-CB 3.27Å; Y218-T222 PolarHBondContact O-N 3.14Å; Y218-T222 PolarHBondContact O-OG1 3.36Å |
| 219 | I | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.5 | -52.1 | 175.6 | -70.5 | 164.8 | 0 | 0 | 0 | 109.9 | R120 I124 S215 Y216 S221 T222 I223 | R120-I219 HydrophobicContact CB-CD1 4.03Å; I124-I219 HydrophobicContact CB-CG2 4.5Å; I124-I219 HydrophobicContact CD1-CG2 3.73Å; I124-I219 HydrophobicContact CG2-CG2 4.23Å; S215-I219 VanDerWaalsContact O-CG1 3.26Å; S215-I219 WeakPolarHBondContact O-CG1 3.35Å; S215-I219 PolarHBondContact O-N 2.89Å; Y216-I219 HydrophobicContact CD1-CB 4.41Å; Y216-I219 HydrophobicContact CD1-CD1 3.95Å; Y216-I219 HydrophobicContact CD1-CG2 4.45Å; Y216-I219 HydrophobicContact CE1-CD1 3.96Å; Y216-I219 HydrophobicContact CG-CD1 4.24Å; Y216-I219 PolarHBondContact O-N 3.31Å; I219-S221 VanDerWaalsContact C-N 3.34Å; I219-S221 PolarHBondContact O-N 3.46Å; I219-T222 WeakPolarHBondContact O-CB 2.85Å; I219-T222 PolarHBondContact O-N 2.89Å; I219-T222 VanDerWaalsContact O-N 3.09Å; I219-I223 HydrophobicContact CG2-CD1 3.69Å; I219-I223 HydrophobicContact CG2-CG1 4.33Å; I219-I223 WeakPolarHBondContact O-CG1 3.29Å; I219-I223 PolarHBondContact O-N 3.26Å |
| 220 | L | 92.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 45% | 0.45 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -179.2 | -175.8 | 61.6 | 0 | 0 | 0 | 111.4 | Y216 T222 I223 L224 | Y216-L220 VanDerWaalsContact O-CB 3.26Å; Y216-L220 WeakPolarHBondContact O-CB 3.39Å; Y216-L220 PolarHBondContact O-N 2.89Å; L220-T222 PolarHBondContact O-N 3.48Å; L220-I223 PolarHBondContact O-N 3.18Å; L220-L224 HydrophobicContact CD1-CG 4.4Å; L220-L224 HydrophobicContact CG-CD1 4.21Å; L220-L224 HydrophobicContact CG-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CG 3.14Å; L220-L224 PolarHBondContact O-N 2.85Å |
| 221 | S | 93.4 | Very high | 92.2 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 175 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | I217 Y218 I219 R225 | I217-S221 VanDerWaalsContact O-CB 3.31Å; I217-S221 WeakPolarHBondContact O-CB 3.08Å; I217-S221 PolarHBondContact O-N 2.85Å; I217-S221 PolarHBondContact O-OG 3.49Å; Y218-S221 PolarHBondContact O-N 3.38Å; I219-S221 VanDerWaalsContact C-N 3.34Å; I219-S221 PolarHBondContact O-N 3.46Å; S221-R225 WeakPolarHBondContact O-CG 3.47Å; S221-R225 PolarHBondContact O-N 3.47Å |
| 222 | T | 92.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 28% | 0.282 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 177.2 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | I124 C125 Y218 I219 L220 L224 R225 I226 | I124-T222 HydrophobicContact CG2-CG2 4.25Å; C125-T222 PolarHBondContact SG-OG1 3.33Å; Y218-T222 WeakPolarHBondContact O-CB 3.27Å; Y218-T222 PolarHBondContact O-N 3.14Å; Y218-T222 PolarHBondContact O-OG1 3.36Å; I219-T222 WeakPolarHBondContact O-CB 2.85Å; I219-T222 PolarHBondContact O-N 2.89Å; I219-T222 VanDerWaalsContact O-N 3.09Å; L220-T222 PolarHBondContact O-N 3.48Å; T222-L224 PolarHBondContact O-N 3.47Å; T222-R225 WeakPolarHBondContact O-CB 3.36Å; T222-R225 PolarHBondContact O-N 3.41Å; T222-I226 PolarHBondContact O-N 2.88Å |
| 223 | I | 91.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178 | -68.6 | 172.6 | 0 | 0 | 0 | 110.6 | I124 I219 L220 R225 I226 R232 A235 F236 | I124-I223 HydrophobicContact CG2-CG1 4.13Å; I219-I223 HydrophobicContact CG2-CD1 3.69Å; I219-I223 HydrophobicContact CG2-CG1 4.33Å; I219-I223 WeakPolarHBondContact O-CG1 3.29Å; I219-I223 PolarHBondContact O-N 3.26Å; L220-I223 PolarHBondContact O-N 3.18Å; I223-R225 PolarHBondContact O-N 3.44Å; I223-I226 VanDerWaalsContact O-CB 3.29Å; I223-I226 WeakPolarHBondContact O-CB 3.49Å; I223-I226 WeakPolarHBondContact O-CG1 3.36Å; I223-I226 PolarHBondContact O-N 2.87Å; I223-R232 HydrophobicContact CG2-CB 4.11Å; I223-R232 HydrophobicContact CG2-CG 4.26Å; I223-R232 WeakPolarHBondContact O-CG 3.16Å; I223-A235 HydrophobicContact CD1-CB 4.13Å; I223-A235 HydrophobicContact CG1-CB 3.85Å; I223-F236 HydrophobicContact CD1-CB 4.46Å |
| 224 | L | 91.5 | Very high | 91.2 | Very high | 105 Ų | 105 | 81 Ų | 81 | 55% | 0.55 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -28.2 | 179.8 | -69.4 | 173.7 | 0 | 0 | 0 | 112.9 | L220 T222 I226 R232 | L220-L224 HydrophobicContact CD1-CG 4.4Å; L220-L224 HydrophobicContact CG-CD1 4.21Å; L220-L224 HydrophobicContact CG-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CG 3.14Å; L220-L224 PolarHBondContact O-N 2.85Å; T222-L224 PolarHBondContact O-N 3.47Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.39Å; L224-R232 PolarHBondContact O-NH2 3.28Å; L224-R232 VanDerWaalsContact O-NH2 3.11Å |
| 225 | R | 92.7 | Very high | 90.7 | Very high | 213 Ų | 213 | 77.4 Ų | 77.4 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.7 | 175.3 | -69.5 | 174.2 | -177.3 | -167.6 | 0.7 | 113.9 | S221 T222 I223 P227 | S221-R225 WeakPolarHBondContact O-CG 3.47Å; S221-R225 PolarHBondContact O-N 3.47Å; T222-R225 WeakPolarHBondContact O-CB 3.36Å; T222-R225 PolarHBondContact O-N 3.41Å; I223-R225 PolarHBondContact O-N 3.44Å; R225-P227 WeakPolarHBondContact O-CD 2.96Å |
| 226 | I | 91.1 | Very high | 90.2 | Very high | 45 Ų | 45 | 82.2 Ų | 82.2 | 23% | 0.231 | 43% | 0.425 | C | S | . | . | trans | -67.6 | 126.8 | 175.7 | -60.8 | 173 | 0 | 0 | 0 | 108.3 | T222 I223 L224 R232 A235 | T222-I226 PolarHBondContact O-N 2.88Å; I223-I226 VanDerWaalsContact O-CB 3.29Å; I223-I226 WeakPolarHBondContact O-CB 3.49Å; I223-I226 WeakPolarHBondContact O-CG1 3.36Å; I223-I226 PolarHBondContact O-N 2.87Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.39Å; I226-R232 HydrophobicContact CB-CG 3.97Å; I226-R232 HydrophobicContact CG2-CG 4.32Å; I226-R232 VanDerWaalsContact O-CZ 3.25Å; I226-R232 PolarHBondContact O-NE 3.09Å; I226-R232 PolarHBondContact O-NH2 3.48Å; I226-A235 HydrophobicContact CD1-CB 3.99Å | ||
| 227 | P | 88.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 82% | 0.818 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -73.5 | -28.8 | -176.4 | 25.3 | -32.7 | 0 | 0 | 0 | 113.5 | R225 | R225-P227 WeakPolarHBondContact O-CD 2.96Š|
| 228 | S | 93.5 | Very high | 89.1 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 40% | 0.399 | 44% | 0.437 | S | S | . | . | trans | -87.8 | 128.3 | -178.8 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | T230 G231 R232 | S228-T230 VanDerWaalsContact C-N 3.32Å; S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 PolarHBondContact OG-N 2.68Å; S228-G231 WeakPolarHBondContact O-CA 2.95Å; S228-G231 PolarHBondContact O-N 2.87Å; S228-G231 VanDerWaalsContact O-N 3.13Å; S228-G231 PolarHBondContact OG-N 3.17Å; S228-R232 WeakPolarHBondContact O-CG 3.42Å; S228-R232 PolarHBondContact O-N 2.98Å | ||
| 229 | A | 88.1 | Confident | 88.6 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G231 R232 Q233 | A229-G231 VanDerWaalsContact C-N 3.32Å; A229-G231 PolarHBondContact O-N 2.83Å; A229-R232 WeakPolarHBondContact O-CB 3.23Å; A229-R232 PolarHBondContact O-N 3.3Å; A229-Q233 PolarHBondContact O-N 3Å |
| 230 | T | 88.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 175.1 | -44 | 0 | 0 | 0 | 0 | 111.4 | S228 Q233 K234 | S228-T230 VanDerWaalsContact C-N 3.32Å; S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 PolarHBondContact OG-N 2.68Å; T230-Q233 PolarHBondContact O-N 3.35Å; T230-K234 WeakPolarHBondContact O-CB 3.36Å; T230-K234 PolarHBondContact O-N 3.11Å |
| 231 | G | 84.3 | Confident | 87.8 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 26% | 0.258 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S228 A229 K234 A235 | S228-G231 WeakPolarHBondContact O-CA 2.95Å; S228-G231 PolarHBondContact O-N 2.87Å; S228-G231 VanDerWaalsContact O-N 3.13Å; S228-G231 PolarHBondContact OG-N 3.17Å; A229-G231 VanDerWaalsContact C-N 3.32Å; A229-G231 PolarHBondContact O-N 2.83Å; G231-K234 PolarHBondContact O-N 2.76Å; G231-A235 WeakPolarHBondContact O-CB 3.46Å; G231-A235 PolarHBondContact O-N 3.02Å |
| 232 | R | 87.3 | Confident | 87.5 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 175.2 | -68.9 | 179.4 | -175.2 | 170.4 | 3.5 | 111.8 | I223 L224 I226 S228 A229 K234 A235 F236 | I223-R232 HydrophobicContact CG2-CB 4.11Å; I223-R232 HydrophobicContact CG2-CG 4.26Å; I223-R232 WeakPolarHBondContact O-CG 3.16Å; L224-R232 PolarHBondContact O-NH2 3.28Å; L224-R232 VanDerWaalsContact O-NH2 3.11Å; I226-R232 HydrophobicContact CB-CG 3.97Å; I226-R232 HydrophobicContact CG2-CG 4.32Å; I226-R232 VanDerWaalsContact O-CZ 3.25Å; I226-R232 PolarHBondContact O-NE 3.09Å; I226-R232 PolarHBondContact O-NH2 3.48Å; S228-R232 WeakPolarHBondContact O-CG 3.42Å; S228-R232 PolarHBondContact O-N 2.98Å; A229-R232 WeakPolarHBondContact O-CB 3.23Å; A229-R232 PolarHBondContact O-N 3.3Å; R232-K234 VanDerWaalsContact C-N 3.34Å; R232-K234 PolarHBondContact O-N 3.26Å; R232-A235 PolarHBondContact O-N 2.95Å; R232-F236 WeakPolarHBondContact O-CB 3.3Å; R232-F236 PolarHBondContact O-N 3.03Å |
| 233 | Q | 87 | Confident | 87.2 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | -179.3 | -171.7 | 179.1 | 14 | 0 | 0 | 111.2 | A229 T230 F236 S237 | A229-Q233 PolarHBondContact O-N 3Å; T230-Q233 PolarHBondContact O-N 3.35Å; Q233-F236 PolarHBondContact O-N 2.84Å; Q233-S237 WeakPolarHBondContact O-CB 3.22Å; Q233-S237 PolarHBondContact O-N 3.49Å; Q233-S237 PolarHBondContact O-OG 3.38Å |
| 234 | K | 84.7 | Confident | 86.9 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.9 | -52.7 | 175.7 | -170.5 | 175.6 | -179 | -178.6 | 0 | 110.8 | T230 G231 R232 F236 S237 T238 | T230-K234 WeakPolarHBondContact O-CB 3.36Å; T230-K234 PolarHBondContact O-N 3.11Å; G231-K234 PolarHBondContact O-N 2.76Å; R232-K234 VanDerWaalsContact C-N 3.34Å; R232-K234 PolarHBondContact O-N 3.26Å; K234-F236 PolarHBondContact O-N 2.98Å; K234-S237 PolarHBondContact O-N 3.32Å; K234-S237 PolarHBondContact O-OG 2.8Å; K234-T238 WeakPolarHBondContact O-CG2 3.24Å; K234-T238 PolarHBondContact O-N 2.01Å |
| 235 | A | 85.7 | Confident | 86.5 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I223 I226 G231 R232 S237 T238 | I223-A235 HydrophobicContact CD1-CB 4.13Å; I223-A235 HydrophobicContact CG1-CB 3.85Å; I226-A235 HydrophobicContact CD1-CB 3.99Å; G231-A235 WeakPolarHBondContact O-CB 3.46Å; G231-A235 PolarHBondContact O-N 3.02Å; R232-A235 PolarHBondContact O-N 2.95Å; A235-S237 PolarHBondContact O-N 3.35Å; A235-T238 PolarHBondContact O-N 2.98Å; A235-T238 PolarHBondContact O-OG1 2.89Å |
| 236 | F | 84.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.2 | -173.2 | -97.4 | 0 | 0 | 0 | 112.3 | I223 R232 Q233 K234 T238 C239 A240 | I223-F236 HydrophobicContact CD1-CB 4.46Å; R232-F236 WeakPolarHBondContact O-CB 3.3Å; R232-F236 PolarHBondContact O-N 3.03Å; Q233-F236 PolarHBondContact O-N 2.84Å; K234-F236 PolarHBondContact O-N 2.98Å; F236-T238 PolarHBondContact O-N 2.95Å; F236-C239 PolarHBondContact O-N 3.35Å; F236-A240 PolarHBondContact O-N 2.8Å |
| 237 | S | 82.4 | Confident | 85.9 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 49% | 0.49 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -28.8 | 178.9 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | Q233 K234 A235 C239 A240 | Q233-S237 WeakPolarHBondContact O-CB 3.22Å; Q233-S237 PolarHBondContact O-N 3.49Å; Q233-S237 PolarHBondContact O-OG 3.38Å; K234-S237 PolarHBondContact O-N 3.32Å; K234-S237 PolarHBondContact O-OG 2.8Å; A235-S237 PolarHBondContact O-N 3.35Å; S237-C239 PolarHBondContact O-N 3.13Å; S237-A240 PolarHBondContact O-N 3.16Å |
| 238 | T | 81.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.5 | -19.2 | 176.9 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | K234 A235 F236 | K234-T238 WeakPolarHBondContact O-CG2 3.24Å; K234-T238 PolarHBondContact O-N 2.01Å; A235-T238 PolarHBondContact O-N 2.98Å; A235-T238 PolarHBondContact O-OG1 2.89Å; F236-T238 PolarHBondContact O-N 2.95Å |
| 239 | C | 84.6 | Confident | 84.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -105 | -14.8 | -179.1 | -83.9 | 0 | 0 | 0 | 0 | 113.6 | I124 Y216 F236 S237 S241 H242 L243 | I124-C239 WeakPolarHBondContact CD1-SG 3.26Å; Y216-C239 HydrophobicContact CE1-CB 3.84Å; F236-C239 PolarHBondContact O-N 3.35Å; S237-C239 PolarHBondContact O-N 3.13Å; C239-S241 VanDerWaalsContact C-N 3.34Å; C239-S241 PolarHBondContact O-N 3.37Å; C239-H242 PolarHBondContact O-N 3.46Å; C239-L243 PolarHBondContact O-N 3.44Å |
| 240 | A | 84.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | F236 S237 T244 | F236-A240 PolarHBondContact O-N 2.8Å; S237-A240 PolarHBondContact O-N 3.16Å; A240-T244 WeakPolarHBondContact O-CB 3.24Å; A240-T244 PolarHBondContact O-N 2.81Å; A240-T244 PolarHBondContact O-OG1 3.43Å |
| 241 | S | 84.2 | Confident | 84.1 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -52.3 | 176.5 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | C239 L243 T244 V245 I287 | C239-S241 VanDerWaalsContact C-N 3.34Å; C239-S241 PolarHBondContact O-N 3.37Å; S241-L243 PolarHBondContact O-N 3.39Å; S241-T244 WeakPolarHBondContact O-CB 3.33Å; S241-T244 PolarHBondContact O-N 2.72Å; S241-T244 VanDerWaalsContact O-N 3.13Å; S241-V245 PolarHBondContact O-N 3.46Å; S241-I287 WeakPolarHBondContact O-CG2 3.21Å |
| 242 | H | 87.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 179 | -176.6 | -107.2 | 0 | 0 | 0 | 112.1 | M57 L113 M116 Y216 C239 T244 V245 V246 | M57-H242 HydrophobicContact CE-CB 3.96Å; L113-H242 PolarHBondContact O-NE2 3.5Å; M116-H242 WeakPolarHBondContact CB-NE2 3.4Å; Y216-H242 AromaticContact CE2-CE1 3.99Å; Y216-H242 AromaticContact CE2-ND1 3.55Å; Y216-H242 AromaticContact CZ-ND1 3.6Å; Y216-H242 PolarHBondContact OH-ND1 2.98Å; C239-H242 PolarHBondContact O-N 3.46Å; H242-T244 VanDerWaalsContact C-N 3.3Å; H242-T244 PolarHBondContact O-N 3.26Å; H242-V245 PolarHBondContact O-N 2.92Å; H242-V246 WeakPolarHBondContact O-CB 3.19Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.15Å |
| 243 | L | 86.5 | Confident | 82.9 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 174.6 | -80.8 | 175.2 | 0 | 0 | 0 | 112.6 | Y216 C239 S241 V246 S247 | Y216-L243 HydrophobicContact CD1-CD1 3.8Å; Y216-L243 HydrophobicContact CD1-CD2 3.51Å; Y216-L243 HydrophobicContact CD1-CG 3.81Å; Y216-L243 HydrophobicContact CD2-CD2 3.83Å; Y216-L243 HydrophobicContact CE1-CD1 3.54Å; Y216-L243 HydrophobicContact CE1-CD2 3.44Å; Y216-L243 VanDerWaalsContact CE1-CD2 3.44Å; Y216-L243 HydrophobicContact CE1-CG 3.3Å; Y216-L243 HydrophobicContact CE2-CD2 3.78Å; Y216-L243 HydrophobicContact CE2-CG 4.28Å; Y216-L243 HydrophobicContact CG-CD2 3.7Å; Y216-L243 HydrophobicContact CG-CG 4.47Å; C239-L243 PolarHBondContact O-N 3.44Å; S241-L243 PolarHBondContact O-N 3.39Å; L243-V246 PolarHBondContact O-N 2.93Å; L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.48Å; L243-S247 PolarHBondContact O-N 2.85Å; L243-S247 PolarHBondContact O-OG 2.86Å |
| 244 | T | 85.1 | Confident | 82.2 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -46 | 178 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | A240 S241 H242 S247 L248 I287 | A240-T244 WeakPolarHBondContact O-CB 3.24Å; A240-T244 PolarHBondContact O-N 2.81Å; A240-T244 PolarHBondContact O-OG1 3.43Å; S241-T244 WeakPolarHBondContact O-CB 3.33Å; S241-T244 PolarHBondContact O-N 2.72Å; S241-T244 VanDerWaalsContact O-N 3.13Å; H242-T244 VanDerWaalsContact C-N 3.3Å; H242-T244 PolarHBondContact O-N 3.26Å; T244-S247 PolarHBondContact O-N 2.91Å; T244-L248 HydrophobicContact CG2-CD1 4.07Å; T244-L248 WeakPolarHBondContact O-CB 3.47Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.45Å; T244-L248 PolarHBondContact O-N 3.05Å; T244-I287 HydrophobicContact CG2-CD1 3.86Å; T244-I287 HydrophobicContact CG2-CG1 4.24Å; T244-I287 HydrophobicContact CG2-CG2 4.32Å |
| 245 | V | 84.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | L113 S241 H242 S247 L248 L249 N284 I287 Y288 | L113-V245 HydrophobicContact CD2-CG1 4.19Å; S241-V245 PolarHBondContact O-N 3.46Å; H242-V245 PolarHBondContact O-N 2.92Å; V245-S247 PolarHBondContact O-N 2.97Å; V245-L248 PolarHBondContact O-N 2.9Å; V245-L249 WeakPolarHBondContact O-CB 3.33Å; V245-L249 PolarHBondContact O-N 3.42Å; V245-N284 VanDerWaalsContact CG1-OD1 3.26Å; V245-N284 WeakPolarHBondContact CG1-OD1 3.45Å; V245-N284 WeakPolarHBondContact CG2-OD1 2.87Å; V245-I287 HydrophobicContact CG2-CB 4.22Å; V245-I287 HydrophobicContact CG2-CD1 3.94Å; V245-I287 HydrophobicContact CG2-CG2 3.83Å; V245-Y288 HydrophobicContact CB-CE2 4.4Å; V245-Y288 HydrophobicContact CG2-CD2 4.29Å; V245-Y288 HydrophobicContact CG2-CE2 3.55Å |
| 246 | V | 85.8 | Confident | 80.4 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -49.6 | 175.9 | 166.3 | 0 | 0 | 0 | 0 | 110.5 | T212 H242 L243 L248 L249 Y250 | T212-V246 HydrophobicContact CG2-CG1 3.79Å; T212-V246 HydrophobicContact CG2-CG2 4.25Å; H242-V246 WeakPolarHBondContact O-CB 3.19Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.15Å; L243-V246 PolarHBondContact O-N 2.93Å; V246-L248 VanDerWaalsContact C-N 3.34Å; V246-L248 PolarHBondContact O-N 3.28Å; V246-L249 PolarHBondContact O-N 3.29Å; V246-Y250 HydrophobicContact CB-CD2 4.24Å; V246-Y250 HydrophobicContact CB-CE2 4.4Å; V246-Y250 HydrophobicContact CG1-CD2 3.5Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.5Å; V246-Y250 HydrophobicContact CG1-CE2 3.73Å; V246-Y250 HydrophobicContact CG2-CE2 4.42Å; V246-Y250 WeakPolarHBondContact O-CB 3.35Å; V246-Y250 VanDerWaalsContact O-CD2 3.24Å; V246-Y250 WeakPolarHBondContact O-CD2 3.3Å; V246-Y250 PolarHBondContact O-N 2.88Å |
| 247 | S | 84.2 | Confident | 79.1 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 56% | 0.559 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.8 | -39.8 | -179.8 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | L243 T244 V245 G251 | L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.48Å; L243-S247 PolarHBondContact O-N 2.85Å; L243-S247 PolarHBondContact O-OG 2.86Å; T244-S247 PolarHBondContact O-N 2.91Å; V245-S247 PolarHBondContact O-N 2.97Å; S247-G251 VanDerWaalsContact O-CA 3.32Å; S247-G251 WeakPolarHBondContact O-CA 3.23Å; S247-G251 PolarHBondContact O-N 3.41Å |
| 248 | L | 82.3 | Confident | 77.9 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.8 | -50.5 | 175.9 | -72.8 | 171 | 0 | 0 | 0 | 111.2 | T244 V245 V246 A252 L283 I287 | T244-L248 HydrophobicContact CG2-CD1 4.07Å; T244-L248 WeakPolarHBondContact O-CB 3.47Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.45Å; T244-L248 PolarHBondContact O-N 3.05Å; V245-L248 PolarHBondContact O-N 2.9Å; V246-L248 VanDerWaalsContact C-N 3.34Å; V246-L248 PolarHBondContact O-N 3.28Å; L248-A252 VanDerWaalsContact O-CB 3.24Å; L248-A252 WeakPolarHBondContact O-CB 3.46Å; L248-A252 PolarHBondContact O-N 3.09Å; L248-A252 VanDerWaalsContact O-N 3.13Å; L248-L283 HydrophobicContact CD1-CD1 3.91Å; L248-I287 HydrophobicContact CD1-CD1 3.67Å |
| 249 | L | 80.7 | Confident | 76.6 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -58.8 | -178.1 | -174.8 | 69 | 0 | 0 | 0 | 111.6 | E109 F110 L113 V245 V246 G251 A252 V253 T280 | E109-L249 HydrophobicContact CG-CD2 4.32Å; F110-L249 HydrophobicContact CD1-CD2 4.05Å; F110-L249 HydrophobicContact CE1-CD2 3.59Å; F110-L249 HydrophobicContact CE1-CG 4Å; F110-L249 HydrophobicContact CZ-CD2 4.1Å; F110-L249 HydrophobicContact CZ-CG 4.29Å; L113-L249 HydrophobicContact CD1-CD2 3.26Å; V245-L249 WeakPolarHBondContact O-CB 3.33Å; V245-L249 PolarHBondContact O-N 3.42Å; V246-L249 PolarHBondContact O-N 3.29Å; L249-G251 PolarHBondContact O-N 3.46Å; L249-A252 PolarHBondContact O-N 2.88Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 3.46Å; L249-T280 HydrophobicContact CB-CG2 4.07Å; L249-T280 HydrophobicContact CD1-CG2 3.98Å |
| 250 | Y | 81.1 | Confident | 74.7 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | -176.7 | -71.3 | -81.4 | 0 | 0 | 0 | 112.3 | F110 I205 S208 L209 V246 A252 V253 L254 | F110-Y250 HydrophobicContact CD1-CD1 4.41Å; F110-Y250 AromaticContact CD1-CE1 3.59Å; F110-Y250 HydrophobicContact CD1-CE1 3.59Å; F110-Y250 HydrophobicContact CD1-CE2 4.47Å; F110-Y250 AromaticContact CD1-CZ 3.65Å; F110-Y250 HydrophobicContact CE1-CD1 4.04Å; F110-Y250 AromaticContact CE1-CE1 3.67Å; F110-Y250 HydrophobicContact CE1-CE1 3.67Å; I205-Y250 HydrophobicContact CG2-CD1 4.31Å; I205-Y250 HydrophobicContact CG2-CE1 4.42Å; I205-Y250 WeakPolarHBondContact O-CE1 3.36Å; S208-Y250 VanDerWaalsContact CB-OH 3.24Å; S208-Y250 WeakPolarHBondContact CB-OH 3.29Å; S208-Y250 PolarHBondContact OG-OH 3.47Å; L209-Y250 HydrophobicContact CB-CD1 3.75Å; L209-Y250 HydrophobicContact CB-CE1 3.57Å; L209-Y250 HydrophobicContact CB-CG 4.46Å; L209-Y250 HydrophobicContact CD1-CD1 3.9Å; L209-Y250 HydrophobicContact CD1-CD2 3.99Å; L209-Y250 HydrophobicContact CD1-CE1 4.29Å; L209-Y250 HydrophobicContact CD1-CE2 4.39Å; L209-Y250 HydrophobicContact CD1-CG 3.72Å; L209-Y250 HydrophobicContact CD2-CD1 4.16Å; L209-Y250 HydrophobicContact CG-CD1 4.14Å; L209-Y250 HydrophobicContact CG-CE1 4.4Å; L209-Y250 HydrophobicContact CG-CG 4.44Å; V246-Y250 HydrophobicContact CB-CD2 4.24Å; V246-Y250 HydrophobicContact CB-CE2 4.4Å; V246-Y250 HydrophobicContact CG1-CD2 3.5Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.5Å; V246-Y250 HydrophobicContact CG1-CE2 3.73Å; V246-Y250 HydrophobicContact CG2-CE2 4.42Å; V246-Y250 WeakPolarHBondContact O-CB 3.35Å; V246-Y250 VanDerWaalsContact O-CD2 3.24Å; V246-Y250 WeakPolarHBondContact O-CD2 3.3Å; V246-Y250 PolarHBondContact O-N 2.88Å; Y250-A252 VanDerWaalsContact C-N 3.26Å; Y250-A252 PolarHBondContact O-N 2.85Å; Y250-V253 PolarHBondContact O-N 3.43Å; Y250-L254 VanDerWaalsContact O-CB 3.3Å; Y250-L254 WeakPolarHBondContact O-CB 3.33Å; Y250-L254 VanDerWaalsContact O-CG 3.23Å; Y250-L254 WeakPolarHBondContact O-CG 3.25Å; Y250-L254 PolarHBondContact O-N 2.94Å |
| 251 | G | 77.8 | Confident | 72.9 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S247 L249 F255 | S247-G251 VanDerWaalsContact O-CA 3.32Å; S247-G251 WeakPolarHBondContact O-CA 3.23Å; S247-G251 PolarHBondContact O-N 3.41Å; L249-G251 PolarHBondContact O-N 3.46Å; G251-F255 WeakPolarHBondContact O-CB 3.45Å; G251-F255 PolarHBondContact O-N 3.09Å |
| 252 | A | 73.9 | Confident | 70.9 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.2 | -31.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L248 L249 Y250 M256 N276 | L248-A252 VanDerWaalsContact O-CB 3.24Å; L248-A252 WeakPolarHBondContact O-CB 3.46Å; L248-A252 PolarHBondContact O-N 3.09Å; L248-A252 VanDerWaalsContact O-N 3.13Å; L249-A252 PolarHBondContact O-N 2.88Å; Y250-A252 VanDerWaalsContact C-N 3.26Å; Y250-A252 PolarHBondContact O-N 2.85Å; A252-M256 PolarHBondContact O-N 3.08Å; A252-N276 VanDerWaalsContact CB-CG 3.5Å; A252-N276 WeakPolarHBondContact CB-OD1 3.3Å; A252-N276 PolarHBondContact O-ND2 3.34Å; A252-N276 VanDerWaalsContact O-ND2 3.1Å |
| 253 | V | 72.8 | Confident | 68.8 | Low | 18 Ų | 18 | 66.7 Ų | 66.7 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65 | -49.8 | 169.2 | 170 | 0 | 0 | 0 | 0 | 110.9 | F110 I205 L249 Y250 F255 M256 Y257 | F110-V253 HydrophobicContact CZ-CG2 4.1Å; I205-V253 HydrophobicContact CD1-CG1 4.02Å; I205-V253 HydrophobicContact CG2-CG1 3.72Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 3.46Å; Y250-V253 PolarHBondContact O-N 3.43Å; V253-F255 VanDerWaalsContact C-N 3.3Å; V253-F255 PolarHBondContact O-N 3.44Å; V253-M256 WeakPolarHBondContact O-CB 3.28Å; V253-M256 PolarHBondContact O-N 3.33Å; V253-Y257 HydrophobicContact CG1-CD2 3.73Å; V253-Y257 HydrophobicContact CG1-CE2 3.74Å; V253-Y257 WeakPolarHBondContact O-CD2 3.48Å; V253-Y257 PolarHBondContact O-N 3.06Å; V253-Y257 VanDerWaalsContact O-N 3.08Å |
| 254 | L | 71.9 | Confident | 66.7 | Low | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 177.3 | -73.3 | 171 | 0 | 0 | 0 | 112 | L209 Y250 M256 Y257 L258 | L209-L254 HydrophobicContact CD2-CD1 4.05Å; Y250-L254 VanDerWaalsContact O-CB 3.3Å; Y250-L254 WeakPolarHBondContact O-CB 3.33Å; Y250-L254 VanDerWaalsContact O-CG 3.23Å; Y250-L254 WeakPolarHBondContact O-CG 3.25Å; Y250-L254 PolarHBondContact O-N 2.94Å; L254-M256 VanDerWaalsContact C-N 3.26Å; L254-M256 PolarHBondContact O-N 3.41Å; L254-Y257 PolarHBondContact O-N 2.63Å; L254-L258 HydrophobicContact CB-CD1 4.17Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 VanDerWaalsContact O-CB 3.28Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.29Å; L254-L258 PolarHBondContact O-N 3.32Å |
| 255 | F | 68.2 | Low | 65.2 | Low | 117 Ų | 117 | 67.6 Ų | 67.6 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 174.3 | -177.4 | -98.5 | 0 | 0 | 0 | 112.4 | G251 V253 V272 | G251-F255 WeakPolarHBondContact O-CB 3.45Å; G251-F255 PolarHBondContact O-N 3.09Å; V253-F255 VanDerWaalsContact C-N 3.3Å; V253-F255 PolarHBondContact O-N 3.44Å; F255-V272 HydrophobicContact CD1-CG1 4.18Å; F255-V272 HydrophobicContact CD1-CG2 4.35Å; F255-V272 HydrophobicContact CE1-CG2 4.01Å |
| 256 | M | 64.1 | Low | 63.8 | Low | 66 Ų | 66 | 73.4 Ų | 73.4 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 176.7 | -171.4 | 174.4 | 174.9 | 0 | 0 | 112.3 | A252 V253 L254 V272 | A252-M256 PolarHBondContact O-N 3.08Å; V253-M256 WeakPolarHBondContact O-CB 3.28Å; V253-M256 PolarHBondContact O-N 3.33Å; L254-M256 VanDerWaalsContact C-N 3.26Å; L254-M256 PolarHBondContact O-N 3.41Å; M256-V272 HydrophobicContact CB-CG1 4.2Å; M256-V272 HydrophobicContact CG-CG1 4.48Å |
| 257 | Y | 57.9 | Low | 62.1 | Low | 143 Ų | 143 | 79.6 Ų | 79.6 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -89.4 | -33 | -175.2 | -75 | -74.3 | 0 | 0 | 0 | 115.2 | T201 I205 V253 L254 R259 | T201-Y257 HydrophobicContact CG2-CE1 4.4Å; I205-Y257 HydrophobicContact CD1-CE2 4.24Å; V253-Y257 HydrophobicContact CG1-CD2 3.73Å; V253-Y257 HydrophobicContact CG1-CE2 3.74Å; V253-Y257 WeakPolarHBondContact O-CD2 3.48Å; V253-Y257 PolarHBondContact O-N 3.06Å; V253-Y257 VanDerWaalsContact O-N 3.08Å; L254-Y257 PolarHBondContact O-N 2.63Å; Y257-R259 VanDerWaalsContact C-N 3.29Å; Y257-R259 PolarHBondContact O-N 2.87Å |
| 258 | L | 57.6 | Low | 60.6 | Low | 136 Ų | 136 | 79 Ų | 79 | 71% | 0.712 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -84.2 | 0.7 | -176 | -66.1 | 175.2 | 0 | 0 | 0 | 113.8 | L254 | L254-L258 HydrophobicContact CB-CD1 4.17Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 VanDerWaalsContact O-CB 3.28Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.29Å; L254-L258 PolarHBondContact O-N 3.32Å |
| 259 | R | 53.9 | Low | 59.5 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -77.8 | 125.1 | -177.2 | -152.8 | 172.8 | -172 | -117.4 | -0.8 | 110.3 | Y257 T261 H263 | Y257-R259 VanDerWaalsContact C-N 3.29Å; Y257-R259 PolarHBondContact O-N 2.87Å; R259-T261 PolarHBondContact O-N 2.84Å; R259-H263 PolarHBondContact NH1-O 2.88Å |
| 260 | P | 43.3 | Very low | 58.6 | Low | 86 Ų | 86 | 78.1 Ų | 78.1 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | trans | -57.4 | 129.8 | 179.7 | -23.1 | 31.7 | 0 | 0 | 0 | 111.5 | A262 H263 | P260-A262 PolarHBondContact O-N 3.37Å; P260-H263 PolarHBondContact O-N 3.2Å | ||
| 261 | T | 47.7 | Very low | 57.5 | Low | 125 Ų | 125 | 81.2 Ų | 81.2 | 77% | 0.767 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -53.1 | -26.9 | -179.2 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | R259 H263 S264 | R259-T261 PolarHBondContact O-N 2.84Å; T261-H263 PolarHBondContact O-N 2.88Å; T261-S264 PolarHBondContact O-N 3.46Å; T261-S264 VanDerWaalsContact O-N 3.15Å; T261-S264 PolarHBondContact O-OG 3.3Å |
| 262 | A | 41.3 | Very low | 56.4 | Low | 92 Ų | 92 | 80.2 Ų | 80.2 | 76% | 0.76 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P260 | P260-A262 PolarHBondContact O-N 3.37Š|
| 263 | H | 43.5 | Very low | 55.7 | Low | 147 Ų | 147 | 79.3 Ų | 79.3 | 68% | 0.681 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -115.8 | 11.8 | 175.2 | -76.4 | -73.9 | 0 | 0 | 0 | 113.3 | R259 P260 T261 S265 | R259-H263 PolarHBondContact NH1-O 2.88Å; P260-H263 PolarHBondContact O-N 3.2Å; T261-H263 PolarHBondContact O-N 2.88Å; H263-S265 PolarHBondContact O-N 3.43Å |
| 264 | S | 43.4 | Very low | 55.1 | Low | 56 Ų | 56 | 79.5 Ų | 79.5 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | trans | -84.7 | 111.5 | -177 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | T261 | T261-S264 PolarHBondContact O-N 3.46Å; T261-S264 VanDerWaalsContact O-N 3.15Å; T261-S264 PolarHBondContact O-OG 3.3Å | ||
| 265 | S | 53.8 | Low | 54.5 | Low | 51 Ų | 51 | 80.3 Ų | 80.3 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | trans | -105.3 | 138.1 | 163.6 | 80.4 | 0 | 0 | 0 | 0 | 108.8 | H263 K267 I268 N269 | H263-S265 PolarHBondContact O-N 3.43Å; S265-K267 PolarHBondContact O-N 2.85Å; S265-I268 PolarHBondContact O-N 3.3Å; S265-N269 PolarHBondContact O-N 2.8Å | ||
| 266 | F | 53.7 | Low | 54.2 | Low | 123 Ų | 123 | 76 Ų | 76 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -52.3 | -26.9 | 175.7 | -77.7 | -82.8 | 0 | 0 | 0 | 112.7 | K270 | F266-K270 VanDerWaalsContact O-CG 3.26Å; F266-K270 WeakPolarHBondContact O-CG 3.28Å; F266-K270 PolarHBondContact O-N 3.45Å |
| 267 | K | 51.5 | Low | 54.1 | Low | 139 Ų | 139 | 73.1 Ų | 73.1 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 176.3 | -70.4 | -177.7 | 179.1 | 178.9 | 0 | 112.4 | S265 V271 | S265-K267 PolarHBondContact O-N 2.85Å; K267-V271 WeakPolarHBondContact O-CG2 3.44Å; K267-V271 PolarHBondContact O-N 3.42Å |
| 268 | I | 52.6 | Low | 54.5 | Low | 67 Ų | 67 | 67 Ų | 67 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74.5 | -39.7 | -179.2 | -64.9 | 173.4 | 0 | 0 | 0 | 110.9 | S265 K270 V271 V272 | S265-I268 PolarHBondContact O-N 3.3Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.01Å; I268-V271 PolarHBondContact O-N 3.1Å; I268-V271 VanDerWaalsContact O-N 3.12Å; I268-V272 HydrophobicContact CG2-CG2 4.18Å; I268-V272 WeakPolarHBondContact O-CG2 3.33Å; I268-V272 PolarHBondContact O-N 3.39Å |
| 269 | N | 58.5 | Low | 55 | Low | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 176.4 | -72.1 | -2.7 | 0 | 0 | 0 | 112.1 | S265 S273 | S265-N269 PolarHBondContact O-N 2.8Å; N269-S273 WeakPolarHBondContact O-CB 3.4Å; N269-S273 PolarHBondContact O-N 3.41Å |
| 270 | K | 61.3 | Low | 55.7 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 172.2 | -72.7 | 176.4 | -172.8 | -169.2 | 0 | 112.7 | G14 F15 N173 F175 F266 I268 S273 V274 | G14-K270 PolarHBondContact O-NZ 3.48Å; F15-K270 HydrophobicContact CE1-CB 3.56Å; F15-K270 HydrophobicContact CE1-CD 4.34Å; F15-K270 HydrophobicContact CZ-CB 3.74Å; N173-K270 WeakPolarHBondContact O-CE 3.44Å; N173-K270 PolarHBondContact O-NZ 3.44Å; N173-K270 PolarHBondContact OD1-NZ 2.83Å; F175-K270 HydrophobicContact CD1-CB 4.4Å; F175-K270 HydrophobicContact CD1-CG 4.35Å; F175-K270 HydrophobicContact CE1-CB 4.38Å; F266-K270 VanDerWaalsContact O-CG 3.26Å; F266-K270 WeakPolarHBondContact O-CG 3.28Å; F266-K270 PolarHBondContact O-N 3.45Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.01Å; K270-S273 PolarHBondContact O-N 3.19Å; K270-V274 WeakPolarHBondContact O-CB 3.45Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.39Å; K270-V274 PolarHBondContact O-N 3.04Å |
| 271 | V | 57.8 | Low | 57 | Low | 68 Ų | 68 | 56.2 Ų | 56.2 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 178 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F15 K267 I268 V274 L275 | F15-V271 HydrophobicContact CE1-CG2 4.01Å; K267-V271 WeakPolarHBondContact O-CG2 3.44Å; K267-V271 PolarHBondContact O-N 3.42Å; I268-V271 PolarHBondContact O-N 3.1Å; I268-V271 VanDerWaalsContact O-N 3.12Å; V271-V274 PolarHBondContact O-N 3.2Å; V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 WeakPolarHBondContact O-CB 3.37Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.32Å; V271-L275 PolarHBondContact O-N 3.38Å |
| 272 | V | 55.7 | Low | 58.2 | Low | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F255 M256 I268 L275 N276 | F255-V272 HydrophobicContact CD1-CG1 4.18Å; F255-V272 HydrophobicContact CD1-CG2 4.35Å; F255-V272 HydrophobicContact CE1-CG2 4.01Å; M256-V272 HydrophobicContact CB-CG1 4.2Å; M256-V272 HydrophobicContact CG-CG1 4.48Å; I268-V272 HydrophobicContact CG2-CG2 4.18Å; I268-V272 WeakPolarHBondContact O-CG2 3.33Å; I268-V272 PolarHBondContact O-N 3.39Å; V272-L275 PolarHBondContact O-N 3.08Å; V272-N276 WeakPolarHBondContact O-CB 3.4Å; V272-N276 VanDerWaalsContact O-CG 3.26Å; V272-N276 PolarHBondContact O-N 2.97Å |
| 273 | S | 59.6 | Low | 59.7 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | N269 K270 L275 N276 T277 | N269-S273 WeakPolarHBondContact O-CB 3.4Å; N269-S273 PolarHBondContact O-N 3.41Å; K270-S273 PolarHBondContact O-N 3.19Å; S273-L275 PolarHBondContact O-N 3.36Å; S273-N276 PolarHBondContact O-N 3.29Å; S273-T277 VanDerWaalsContact O-CB 3.27Å; S273-T277 WeakPolarHBondContact O-CB 3.41Å; S273-T277 PolarHBondContact O-N 3.44Å; S273-T277 PolarHBondContact O-OG1 3.19Å |
| 274 | V | 60.7 | Low | 61.3 | Low | 22 Ų | 22 | 42.6 Ų | 42.6 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 172.5 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | F15 L79 F175 K270 V271 N276 I278 | F15-V274 HydrophobicContact CE2-CG2 3.88Å; F15-V274 HydrophobicContact CZ-CG2 3.55Å; L79-V274 HydrophobicContact CD2-CG2 4.24Å; F175-V274 HydrophobicContact CD1-CG2 4.12Å; F175-V274 HydrophobicContact CD2-CG2 4.44Å; F175-V274 HydrophobicContact CE1-CG2 3.54Å; F175-V274 HydrophobicContact CE2-CG2 3.85Å; F175-V274 HydrophobicContact CZ-CB 4.4Å; F175-V274 HydrophobicContact CZ-CG2 3.38Å; K270-V274 WeakPolarHBondContact O-CB 3.45Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.39Å; K270-V274 PolarHBondContact O-N 3.04Å; V271-V274 PolarHBondContact O-N 3.2Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.45Å; V274-I278 HydrophobicContact CG1-CD1 3.57Å; V274-I278 HydrophobicContact CG1-CG1 4.43Å; V274-I278 WeakPolarHBondContact O-CB 3.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.2Å; V274-I278 PolarHBondContact O-N 3.07Å |
| 275 | L | 59.1 | Low | 62.7 | Low | 88 Ų | 88 | 40 Ų | 40 | 46% | 0.461 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 178 | -71.9 | 169.2 | 0 | 0 | 0 | 111.3 | V271 V272 S273 L279 | V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 WeakPolarHBondContact O-CB 3.37Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.32Å; V271-L275 PolarHBondContact O-N 3.38Å; V272-L275 PolarHBondContact O-N 3.08Å; S273-L275 PolarHBondContact O-N 3.36Å; L275-L279 WeakPolarHBondContact O-CA 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.31Å; L275-L279 PolarHBondContact O-N 3.04Å |
| 276 | N | 60.3 | Low | 63.6 | Low | 26 Ų | 26 | 41.2 Ų | 41.2 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.3 | -46.8 | -179.5 | -71.3 | -7.8 | 0 | 0 | 0 | 113.2 | A252 V272 S273 V274 I278 | A252-N276 VanDerWaalsContact CB-CG 3.5Å; A252-N276 WeakPolarHBondContact CB-OD1 3.3Å; A252-N276 PolarHBondContact O-ND2 3.34Å; A252-N276 VanDerWaalsContact O-ND2 3.1Å; V272-N276 WeakPolarHBondContact O-CB 3.4Å; V272-N276 VanDerWaalsContact O-CG 3.26Å; V272-N276 PolarHBondContact O-N 2.97Å; S273-N276 PolarHBondContact O-N 3.29Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.45Å; N276-I278 PolarHBondContact O-N 3.46Å |
| 277 | T | 62.1 | Low | 64.8 | Low | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.3 | -20.9 | -179.8 | -57.2 | 0 | 0 | 0 | 0 | 112 | Y71 V75 S273 | Y71-T277 HydrophobicContact CD1-CG2 4.4Å; Y71-T277 HydrophobicContact CE1-CG2 3.6Å; V75-T277 HydrophobicContact CB-CG2 4.19Å; V75-T277 HydrophobicContact CG1-CG2 4.07Å; V75-T277 HydrophobicContact CG2-CG2 4.21Å; S273-T277 VanDerWaalsContact O-CB 3.27Å; S273-T277 WeakPolarHBondContact O-CB 3.41Å; S273-T277 PolarHBondContact O-N 3.44Å; S273-T277 PolarHBondContact O-OG1 3.19Å |
| 278 | I | 66.2 | Low | 65.8 | Low | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -106.7 | -46.3 | -177 | -64.3 | -177 | 0 | 0 | 0 | 112.6 | I29 I32 I76 L79 V274 N276 L282 | I29-I278 HydrophobicContact CG1-CD1 4.31Å; I29-I278 HydrophobicContact CG2-CD1 4.2Å; I32-I278 HydrophobicContact CB-CG2 4.17Å; I32-I278 HydrophobicContact CD1-CG2 4.02Å; I32-I278 HydrophobicContact CG2-CG2 3.24Å; I76-I278 HydrophobicContact CD1-CD1 3.68Å; I76-I278 HydrophobicContact CD1-CG1 3.52Å; L79-I278 HydrophobicContact CD2-CD1 4.24Å; V274-I278 HydrophobicContact CG1-CD1 3.57Å; V274-I278 HydrophobicContact CG1-CG1 4.43Å; V274-I278 WeakPolarHBondContact O-CB 3.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.2Å; V274-I278 PolarHBondContact O-N 3.07Å; N276-I278 PolarHBondContact O-N 3.46Å; I278-L282 WeakPolarHBondContact O-CB 3.37Å; I278-L282 PolarHBondContact O-N 3.45Å; I278-L282 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 68.4 | Low | 66.5 | Low | 74 Ų | 74 | 28 Ų | 28 | 39% | 0.387 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -73.9 | -42.7 | -168.9 | -170.5 | 64.1 | 0 | 0 | 0 | 111.9 | L275 L282 L283 | L275-L279 WeakPolarHBondContact O-CA 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.31Å; L275-L279 PolarHBondContact O-N 3.04Å; L279-L282 PolarHBondContact O-N 3.21Å; L279-L283 HydrophobicContact CD1-CD1 3.81Å; L279-L283 HydrophobicContact CD1-CG 4Å; L279-L283 HydrophobicContact CD2-CD1 4.36Å; L279-L283 HydrophobicContact CG-CD1 3.69Å; L279-L283 HydrophobicContact CG-CG 4.19Å; L279-L283 WeakPolarHBondContact O-CB 3.44Å; L279-L283 WeakPolarHBondContact O-CG 3.15Å; L279-L283 PolarHBondContact O-N 3.44Å |
| 280 | T | 70.2 | Confident | 66.5 | Low | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -51.5 | -178.6 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | L249 L282 L283 N284 | L249-T280 HydrophobicContact CB-CG2 4.07Å; L249-T280 HydrophobicContact CD1-CG2 3.98Å; T280-L282 VanDerWaalsContact C-N 3.27Å; T280-L282 PolarHBondContact O-N 3.35Å; T280-L283 PolarHBondContact O-N 3.19Å; T280-L283 VanDerWaalsContact O-N 3.16Å; T280-N284 PolarHBondContact O-N 3.36Å; T280-N284 PolarHBondContact O-OD1 3Å |
| 281 | P | 69.1 | Low | 66.5 | Low | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -32.9 | 176.4 | -25.1 | 37.8 | 0 | 0 | 0 | 113.5 | T36 E68 T72 P285 | T36-P281 HydrophobicContact CG2-CB 3.78Å; E68-P281 HydrophobicContact CB-CB 4.21Å; E68-P281 HydrophobicContact CG-CB 4.06Å; E68-P281 HydrophobicContact CG-CG 4.42Å; E68-P281 WeakPolarHBondContact OE2-CA 3.43Å; T72-P281 HydrophobicContact CG2-CB 3.82Å; T72-P281 HydrophobicContact CG2-CG 4.04Å; P281-P285 WeakPolarHBondContact O-CD 3.48Å |
| 282 | L | 73.8 | Confident | 66.8 | Low | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.1 | 174.9 | 64.4 | 0 | 0 | 0 | 111.9 | I32 L35 T36 I278 L279 T280 F286 | I32-L282 HydrophobicContact CG1-CD2 4.19Å; I32-L282 HydrophobicContact CG2-CB 4.16Å; I32-L282 HydrophobicContact CG2-CD1 4.12Å; I32-L282 HydrophobicContact CG2-CD2 3.8Å; I32-L282 HydrophobicContact CG2-CG 4.23Å; L35-L282 HydrophobicContact CB-CD1 4.01Å; L35-L282 HydrophobicContact CD2-CD1 3.71Å; L35-L282 HydrophobicContact CG-CD1 3.73Å; T36-L282 WeakPolarHBondContact OG1-CA 3.39Å; I278-L282 WeakPolarHBondContact O-CB 3.37Å; I278-L282 PolarHBondContact O-N 3.45Å; I278-L282 VanDerWaalsContact O-N 3.15Å; L279-L282 PolarHBondContact O-N 3.21Å; T280-L282 VanDerWaalsContact C-N 3.27Å; T280-L282 PolarHBondContact O-N 3.35Å; L282-F286 HydrophobicContact CD1-CE2 3.98Å; L282-F286 HydrophobicContact CG-CE2 4.41Å; L282-F286 WeakPolarHBondContact O-CD2 3.25Å; L282-F286 WeakPolarHBondContact O-CE2 3.37Å |
| 283 | L | 73.6 | Confident | 67.3 | Low | 53 Ų | 53 | 44.7 Ų | 44.7 | 28% | 0.277 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -78.3 | -25.9 | -173.9 | -69.2 | 179.2 | 0 | 0 | 0 | 112.9 | L248 L279 T280 F286 I287 | L248-L283 HydrophobicContact CD1-CD1 3.91Å; L279-L283 HydrophobicContact CD1-CD1 3.81Å; L279-L283 HydrophobicContact CD1-CG 4Å; L279-L283 HydrophobicContact CD2-CD1 4.36Å; L279-L283 HydrophobicContact CG-CD1 3.69Å; L279-L283 HydrophobicContact CG-CG 4.19Å; L279-L283 WeakPolarHBondContact O-CB 3.44Å; L279-L283 WeakPolarHBondContact O-CG 3.15Å; L279-L283 PolarHBondContact O-N 3.44Å; T280-L283 PolarHBondContact O-N 3.19Å; T280-L283 VanDerWaalsContact O-N 3.16Å; L283-F286 PolarHBondContact O-N 3.2Å; L283-F286 VanDerWaalsContact O-N 3.08Å; L283-I287 HydrophobicContact CB-CD1 3.83Å; L283-I287 HydrophobicContact CB-CG1 4.48Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.35Å; L283-I287 PolarHBondContact O-N 3.26Å |
| 284 | N | 77 | Confident | 67.4 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.3 | -49.2 | -176.4 | -75.5 | -5.8 | 0 | 0 | 0 | 113.1 | E68 V245 T280 F286 I287 Y288 | E68-N284 PolarHBondContact OE1-ND2 2.85Å; V245-N284 VanDerWaalsContact CG1-OD1 3.26Å; V245-N284 WeakPolarHBondContact CG1-OD1 3.45Å; V245-N284 WeakPolarHBondContact CG2-OD1 2.87Å; T280-N284 PolarHBondContact O-N 3.36Å; T280-N284 PolarHBondContact O-OD1 3Å; N284-F286 VanDerWaalsContact C-N 3.33Å; N284-F286 PolarHBondContact O-N 2.9Å; N284-I287 PolarHBondContact O-N 3.42Å; N284-Y288 VanDerWaalsContact O-CD2 3.23Å; N284-Y288 WeakPolarHBondContact O-CD2 3.06Å; N284-Y288 PolarHBondContact O-N 2.84Å |
| 285 | P | 70.9 | Confident | 67.4 | Low | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53 | -46.1 | 171.8 | -27.2 | 32.7 | 0 | 0 | 0 | 113.6 | I43 P281 T289 | I43-P285 HydrophobicContact CD1-CB 3.93Å; I43-P285 HydrophobicContact CD1-CG 4.07Å; P281-P285 WeakPolarHBondContact O-CD 3.48Å; P285-T289 WeakPolarHBondContact O-CB 3.31Å; P285-T289 WeakPolarHBondContact O-CG2 3.23Å; P285-T289 PolarHBondContact O-N 2Å; P285-T289 PolarHBondContact O-OG1 2.83Å |
| 286 | F | 73.5 | Confident | 67.9 | Low | 76 Ų | 76 | 50.9 Ų | 50.9 | 33% | 0.333 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.8 | -40.5 | -179.3 | -60.2 | -68.4 | 0 | 0 | 0 | 112.4 | L35 L282 L283 N284 Y288 I290 | L35-F286 HydrophobicContact CD1-CZ 3.95Å; L35-F286 HydrophobicContact CD2-CE2 4.18Å; L35-F286 HydrophobicContact CD2-CZ 3.89Å; L35-F286 HydrophobicContact CG-CE2 4.26Å; L35-F286 HydrophobicContact CG-CZ 3.95Å; L282-F286 HydrophobicContact CD1-CE2 3.98Å; L282-F286 HydrophobicContact CG-CE2 4.41Å; L282-F286 WeakPolarHBondContact O-CD2 3.25Å; L282-F286 WeakPolarHBondContact O-CE2 3.37Å; L283-F286 PolarHBondContact O-N 3.2Å; L283-F286 VanDerWaalsContact O-N 3.08Å; N284-F286 VanDerWaalsContact C-N 3.33Å; N284-F286 PolarHBondContact O-N 2.9Å; F286-Y288 PolarHBondContact O-N 2.76Å; F286-I290 HydrophobicContact CB-CD1 4.17Å; F286-I290 HydrophobicContact CB-CG1 4.49Å; F286-I290 HydrophobicContact CD1-CD1 3.49Å; F286-I290 VanDerWaalsContact CD1-CD1 3.49Å; F286-I290 HydrophobicContact CD1-CG1 4.19Å; F286-I290 HydrophobicContact CE1-CD1 4.35Å; F286-I290 HydrophobicContact CG-CD1 4.28Å; F286-I290 VanDerWaalsContact O-CB 3.25Å; F286-I290 WeakPolarHBondContact O-CB 3.43Å; F286-I290 PolarHBondContact O-N 3.07Å |
| 287 | I | 78 | Confident | 68.4 | Low | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 179.9 | -68.1 | 163.6 | 0 | 0 | 0 | 110.7 | S241 T244 V245 L248 L283 N284 | S241-I287 WeakPolarHBondContact O-CG2 3.21Å; T244-I287 HydrophobicContact CG2-CD1 3.86Å; T244-I287 HydrophobicContact CG2-CG1 4.24Å; T244-I287 HydrophobicContact CG2-CG2 4.32Å; V245-I287 HydrophobicContact CG2-CB 4.22Å; V245-I287 HydrophobicContact CG2-CD1 3.94Å; V245-I287 HydrophobicContact CG2-CG2 3.83Å; L248-I287 HydrophobicContact CD1-CD1 3.67Å; L283-I287 HydrophobicContact CB-CD1 3.83Å; L283-I287 HydrophobicContact CB-CG1 4.48Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.35Å; L283-I287 PolarHBondContact O-N 3.26Å; N284-I287 PolarHBondContact O-N 3.42Å |
| 288 | Y | 72.9 | Confident | 68.7 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -81.9 | -32.1 | -179.6 | -72.9 | -70.5 | 0 | 0 | 0 | 113.8 | M57 L61 M116 V245 N284 F286 N292 | M57-Y288 HydrophobicContact CE-CE1 3.92Å; L61-Y288 HydrophobicContact CD1-CD1 4.06Å; L61-Y288 HydrophobicContact CD1-CD2 3.34Å; L61-Y288 HydrophobicContact CD1-CE1 4.17Å; L61-Y288 HydrophobicContact CD1-CE2 3.44Å; L61-Y288 VanDerWaalsContact CD1-CE2 3.44Å; L61-Y288 HydrophobicContact CD1-CG 3.67Å; L61-Y288 HydrophobicContact CD2-CD1 4.09Å; L61-Y288 HydrophobicContact CD2-CD2 4.36Å; L61-Y288 HydrophobicContact CD2-CG 3.86Å; L61-Y288 HydrophobicContact CG-CD2 4.49Å; L61-Y288 HydrophobicContact CG-CG 4.45Å; M116-Y288 HydrophobicContact CE-CE1 4.25Å; M116-Y288 WeakPolarHBondContact CE-OH 3.35Å; V245-Y288 HydrophobicContact CB-CE2 4.4Å; V245-Y288 HydrophobicContact CG2-CD2 4.29Å; V245-Y288 HydrophobicContact CG2-CE2 3.55Å; N284-Y288 VanDerWaalsContact O-CD2 3.23Å; N284-Y288 WeakPolarHBondContact O-CD2 3.06Å; N284-Y288 PolarHBondContact O-N 2.84Å; F286-Y288 PolarHBondContact O-N 2.76Å; Y288-N292 VanDerWaalsContact O-CB 3.26Å; Y288-N292 WeakPolarHBondContact O-CB 3.39Å |
| 289 | T | 67.4 | Low | 69.1 | Low | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -94 | -44.6 | -175.6 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | I43 P285 R291 V295 | I43-T289 HydrophobicContact CD1-CG2 4.46Å; I43-T289 HydrophobicContact CG1-CG2 3.71Å; P285-T289 WeakPolarHBondContact O-CB 3.31Å; P285-T289 WeakPolarHBondContact O-CG2 3.23Å; P285-T289 PolarHBondContact O-N 2Å; P285-T289 PolarHBondContact O-OG1 2.83Å; T289-R291 PolarHBondContact O-N 2.99Å; T289-V295 HydrophobicContact CG2-CG1 3.86Å |
| 290 | I | 59.8 | Low | 69.2 | Low | 93 Ų | 93 | 52.3 Ų | 52.3 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.7 | -175.3 | -64.6 | -173.6 | 0 | 0 | 0 | 112 | F286 K296 | F286-I290 HydrophobicContact CB-CD1 4.17Å; F286-I290 HydrophobicContact CB-CG1 4.49Å; F286-I290 HydrophobicContact CD1-CD1 3.49Å; F286-I290 VanDerWaalsContact CD1-CD1 3.49Å; F286-I290 HydrophobicContact CD1-CG1 4.19Å; F286-I290 HydrophobicContact CE1-CD1 4.35Å; F286-I290 HydrophobicContact CG-CD1 4.28Å; F286-I290 VanDerWaalsContact O-CB 3.25Å; F286-I290 WeakPolarHBondContact O-CB 3.43Å; F286-I290 PolarHBondContact O-N 3.07Å; I290-K296 WeakPolarHBondContact O-CE 3.29Å; I290-K296 PolarHBondContact O-NZ 3.28Å |
| 291 | R | 60.2 | Low | 69.4 | Low | 169 Ų | 169 | 57.5 Ų | 57.5 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -88.6 | -20 | 177.5 | -71.9 | -175.9 | 163.5 | -171.8 | -3.5 | 113.3 | T289 | T289-R291 PolarHBondContact O-N 2.99Š|
| 292 | N | 65.3 | Low | 69.4 | Low | 46 Ų | 46 | 58.6 Ų | 58.6 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | trans | -92.8 | 117 | -175.3 | -164.9 | -46.6 | 0 | 0 | 0 | 112 | Y58 Y288 E294 V295 K296 | Y58-N292 VanDerWaalsContact OH-CG 3.27Å; Y58-N292 PolarHBondContact OH-ND2 3.16Å; Y288-N292 VanDerWaalsContact O-CB 3.26Å; Y288-N292 WeakPolarHBondContact O-CB 3.39Å; N292-E294 VanDerWaalsContact C-N 3.27Å; N292-E294 PolarHBondContact O-N 2.6Å; N292-E294 WeakPolarHBondContact OD1-CA 3.28Å; N292-E294 VanDerWaalsContact OD1-CB 3.25Å; N292-E294 WeakPolarHBondContact OD1-CB 3.03Å; N292-E294 PolarHBondContact OD1-N 3.45Å; N292-V295 HydrophobicContact CB-CB 4.14Å; N292-V295 HydrophobicContact CB-CG2 3.82Å; N292-V295 PolarHBondContact O-N 3.04Å; N292-V295 PolarHBondContact OD1-N 3Å; N292-K296 PolarHBondContact O-N 3.32Å | ||
| 293 | K | 64.3 | Low | 69.3 | Low | 184 Ų | 184 | 60.8 Ų | 60.8 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.6 | -31.9 | 178.6 | -69 | -173.6 | 178.7 | -176.8 | 0 | 112.9 | G297 | K293-G297 PolarHBondContact O-N 3.39Å |
| 294 | E | 61.6 | Low | 69.2 | Low | 124 Ų | 124 | 62.7 Ų | 62.7 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.1 | -41.7 | 178.8 | -57.7 | 175.5 | 161.4 | 0 | 0 | 110.5 | L53 N292 G297 A298 | L53-E294 HydrophobicContact CD2-CB 3.87Å; N292-E294 VanDerWaalsContact C-N 3.27Å; N292-E294 PolarHBondContact O-N 2.6Å; N292-E294 WeakPolarHBondContact OD1-CA 3.28Å; N292-E294 VanDerWaalsContact OD1-CB 3.25Å; N292-E294 WeakPolarHBondContact OD1-CB 3.03Å; N292-E294 PolarHBondContact OD1-N 3.45Å; E294-G297 PolarHBondContact O-N 2.92Å; E294-A298 WeakPolarHBondContact O-CB 3.48Å; E294-A298 PolarHBondContact O-N 3.14Å |
| 295 | V | 62.2 | Low | 68.4 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | I46 L53 Y58 T289 N292 G297 A298 L299 | I46-V295 HydrophobicContact CD1-CG1 4.08Å; I46-V295 HydrophobicContact CG2-CG1 4.39Å; L53-V295 HydrophobicContact CD1-CG2 4.36Å; L53-V295 HydrophobicContact CD2-CG2 4.42Å; Y58-V295 HydrophobicContact CE1-CG2 3.93Å; Y58-V295 WeakPolarHBondContact OH-CG2 2.91Å; T289-V295 HydrophobicContact CG2-CG1 3.86Å; N292-V295 HydrophobicContact CB-CB 4.14Å; N292-V295 HydrophobicContact CB-CG2 3.82Å; N292-V295 PolarHBondContact O-N 3.04Å; N292-V295 PolarHBondContact OD1-N 3Å; V295-G297 VanDerWaalsContact C-N 3.31Å; V295-G297 PolarHBondContact O-N 3.47Å; V295-A298 PolarHBondContact O-N 3.21Å; V295-L299 WeakPolarHBondContact O-CB 3.31Å; V295-L299 PolarHBondContact O-N 3.03Å |
| 296 | K | 69.1 | Low | 67.6 | Low | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 172.9 | -73.4 | -175.7 | 179 | 170.6 | 0 | 112.4 | I290 N292 L299 G300 | I290-K296 WeakPolarHBondContact O-CE 3.29Å; I290-K296 PolarHBondContact O-NZ 3.28Å; N292-K296 PolarHBondContact O-N 3.32Å; K296-L299 PolarHBondContact O-N 2.83Å; K296-G300 PolarHBondContact O-N 3.35Å |
| 297 | G | 70.6 | Confident | 66.7 | Low | 35 Ų | 35 | 72.8 Ų | 72.8 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K293 E294 V295 G300 K301 | K293-G297 PolarHBondContact O-N 3.39Å; E294-G297 PolarHBondContact O-N 2.92Å; V295-G297 VanDerWaalsContact C-N 3.31Å; V295-G297 PolarHBondContact O-N 3.47Å; G297-G300 PolarHBondContact O-N 3.46Å; G297-K301 WeakPolarHBondContact O-CG 3.22Å; G297-K301 PolarHBondContact O-N 3.25Å; G297-K301 VanDerWaalsContact O-N 3.08Å |
| 298 | A | 69.5 | Low | 65.4 | Low | 7 Ų | 7 | 75 Ų | 75 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I46 E50 L53 E294 V295 G300 K301 A302 | I46-A298 HydrophobicContact CG2-CB 3.78Å; E50-A298 HydrophobicContact CB-CB 3.99Å; E50-A298 HydrophobicContact CG-CB 3.92Å; L53-A298 HydrophobicContact CD1-CB 3.93Å; E294-A298 WeakPolarHBondContact O-CB 3.48Å; E294-A298 PolarHBondContact O-N 3.14Å; V295-A298 PolarHBondContact O-N 3.21Å; A298-G300 PolarHBondContact O-N 2.79Å; A298-K301 PolarHBondContact O-N 2.84Å; A298-A302 WeakPolarHBondContact O-CB 3.49Å; A298-A302 PolarHBondContact O-N 3.35Å |
| 299 | L | 72.9 | Confident | 64.2 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -175.4 | 63.1 | 0 | 0 | 0 | 111.6 | L42 I46 V295 K296 K301 A302 V303 | L42-L299 HydrophobicContact CD1-CD1 4.28Å; L42-L299 HydrophobicContact CD2-CD1 4.42Å; I46-L299 HydrophobicContact CD1-CB 4.35Å; I46-L299 HydrophobicContact CD1-CD1 4.12Å; V295-L299 WeakPolarHBondContact O-CB 3.31Å; V295-L299 PolarHBondContact O-N 3.03Å; K296-L299 PolarHBondContact O-N 2.83Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 2.71Å; L299-A302 PolarHBondContact O-N 2.88Å; L299-V303 HydrophobicContact CD1-CG2 4.41Å; L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.12Å |
| 300 | G | 71.6 | Confident | 63.3 | Low | 39 Ų | 39 | 88.4 Ų | 88.4 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K296 G297 A298 T304 | K296-G300 PolarHBondContact O-N 3.35Å; G297-G300 PolarHBondContact O-N 3.46Å; A298-G300 PolarHBondContact O-N 2.79Å; G300-T304 WeakPolarHBondContact O-CG2 3.37Å; G300-T304 PolarHBondContact O-N 3.23Å; G300-T304 VanDerWaalsContact O-N 3.08Å; G300-T304 PolarHBondContact O-OG1 3.35Å |
| 301 | K | 73.6 | Confident | 62.7 | Low | 113 Ų | 113 | 88.1 Ų | 88.1 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.1 | -71.7 | -179.5 | 176 | -169.6 | 0 | 113.1 | G297 A298 L299 V303 T304 C305 | G297-K301 WeakPolarHBondContact O-CG 3.22Å; G297-K301 PolarHBondContact O-N 3.25Å; G297-K301 VanDerWaalsContact O-N 3.08Å; A298-K301 PolarHBondContact O-N 2.84Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 2.71Å; K301-V303 VanDerWaalsContact C-N 3.35Å; K301-T304 WeakPolarHBondContact CA-OG1 3.28Å; K301-T304 PolarHBondContact O-N 3.33Å; K301-T304 PolarHBondContact O-OG1 3.2Å; K301-C305 VanDerWaalsContact O-CB 3.27Å; K301-C305 WeakPolarHBondContact O-CB 3.42Å; K301-C305 PolarHBondContact O-N 3.25Å |
| 302 | A | 69.7 | Low | 61.8 | Low | 25 Ų | 25 | 92 Ų | 92 | 21% | 0.207 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A298 L299 C305 S306 | A298-A302 WeakPolarHBondContact O-CB 3.49Å; A298-A302 PolarHBondContact O-N 3.35Å; L299-A302 PolarHBondContact O-N 2.88Å; A302-C305 PolarHBondContact O-N 3.36Å; A302-S306 WeakPolarHBondContact O-CB 2.88Å; A302-S306 PolarHBondContact O-N 3.25Å |
| 303 | V | 72.6 | Confident | 61.6 | Low | 69 Ų | 69 | 94.3 Ų | 94.3 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L299 K301 K307 | L299-V303 HydrophobicContact CD1-CG2 4.41Å; L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.12Å; K301-V303 VanDerWaalsContact C-N 3.35Å; V303-K307 WeakPolarHBondContact O-CG 3.26Å; V303-K307 PolarHBondContact O-N 3.11Å; V303-K307 VanDerWaalsContact O-N 3.11Å |
| 304 | T | 70.8 | Confident | 61.5 | Low | 92 Ų | 92 | 89.5 Ų | 89.5 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | G300 K301 K307 A308 | G300-T304 WeakPolarHBondContact O-CG2 3.37Å; G300-T304 PolarHBondContact O-N 3.23Å; G300-T304 VanDerWaalsContact O-N 3.08Å; G300-T304 PolarHBondContact O-OG1 3.35Å; K301-T304 WeakPolarHBondContact CA-OG1 3.28Å; K301-T304 PolarHBondContact O-N 3.33Å; K301-T304 PolarHBondContact O-OG1 3.2Å; T304-K307 PolarHBondContact O-N 3.01Å; T304-A308 PolarHBondContact O-N 3.15Å; T304-A308 VanDerWaalsContact O-N 3.08Å |
| 305 | C | 59.1 | Low | 61.5 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -39.9 | 176.9 | -148.8 | 0 | 0 | 0 | 0 | 111.9 | K301 A302 K307 A308 H309 | K301-C305 VanDerWaalsContact O-CB 3.27Å; K301-C305 WeakPolarHBondContact O-CB 3.42Å; K301-C305 PolarHBondContact O-N 3.25Å; A302-C305 PolarHBondContact O-N 3.36Å; C305-K307 PolarHBondContact O-N 3.43Å; C305-A308 PolarHBondContact O-N 3.27Å; C305-H309 PolarHBondContact O-N 2.84Å |
| 306 | S | 55.6 | Low | 61.5 | Low | 63 Ų | 63 | 92.4 Ų | 92.4 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.3 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | A302 A308 H309 H310 | A302-S306 WeakPolarHBondContact O-CB 2.88Å; A302-S306 PolarHBondContact O-N 3.25Å; S306-A308 PolarHBondContact O-N 3.03Å; S306-H309 PolarHBondContact O-N 3.31Å; S306-H310 PolarHBondContact O-CD2 3.02Å; S306-H310 PolarHBondContact O-N 3.04Å |
| 307 | K | 54.5 | Low | 61 | Low | 146 Ų | 146 | 91 Ų | 91 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -35.2 | 174.7 | -74.4 | -179.5 | -179.8 | -173.4 | 0 | 113.2 | V303 T304 C305 H309 H310 A311 | V303-K307 WeakPolarHBondContact O-CG 3.26Å; V303-K307 PolarHBondContact O-N 3.11Å; V303-K307 VanDerWaalsContact O-N 3.11Å; T304-K307 PolarHBondContact O-N 3.01Å; C305-K307 PolarHBondContact O-N 3.43Å; K307-H309 VanDerWaalsContact C-N 3.29Å; K307-H309 PolarHBondContact O-N 2.98Å; K307-H310 PolarHBondContact O-N 3.47Å; K307-A311 WeakPolarHBondContact O-CB 3.35Å; K307-A311 PolarHBondContact O-N 3.22Å |
| 308 | A | 50.6 | Low | 60.3 | Low | 63 Ų | 63 | 94.7 Ų | 94.7 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.3 | -28.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T304 C305 S306 | T304-A308 PolarHBondContact O-N 3.15Å; T304-A308 VanDerWaalsContact O-N 3.08Å; C305-A308 PolarHBondContact O-N 3.27Å; S306-A308 PolarHBondContact O-N 3.03Å |
| 309 | H | 48.2 | Very low | 59.7 | Low | 156 Ų | 156 | 101 Ų | 101 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -79.5 | -24.4 | 175.6 | -112.1 | -74.8 | 0 | 0 | 0 | 113.9 | C305 S306 K307 | C305-H309 PolarHBondContact O-N 2.84Å; S306-H309 PolarHBondContact O-N 3.31Å; K307-H309 VanDerWaalsContact C-N 3.29Å; K307-H309 PolarHBondContact O-N 2.98Å |
| 310 | H | 48.1 | Very low | 58.7 | Low | 161 Ų | 161 | 103.5 Ų | 103.5 | 75% | 0.745 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -89.8 | -7.1 | 175 | -79.7 | -63.2 | 0 | 0 | 0 | 114.2 | S306 K307 | S306-H310 PolarHBondContact O-CD2 3.02Å; S306-H310 PolarHBondContact O-N 3.04Å; K307-H310 PolarHBondContact O-N 3.47Å |
| 311 | A | 47.1 | Very low | 57.6 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 72% | 0.719 | 59% | 0.592 | S | S | * | * | trans | -100.8 | 11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K307 | K307-A311 WeakPolarHBondContact O-CB 3.35Å; K307-A311 PolarHBondContact O-N 3.22Å | ||
| 312 | K | 41.2 | Very low | 56.1 | Low | 249 Ų | 249 | 108.5 Ų | 108.5 | 100% | 1.083 | 60% | 0.601 | S | S | * | * | trans | -111.1 | 0 | 168 | -91.7 | -173.4 | 174.8 | -177.2 | 0 | 109.1 |
Retrieved 312 of 312 residues in 102 ms
(Link to these results)