| 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 | 58.9 | Low | 74.5 | Confident | 189 Ų | 189 | 113.8 Ų | 113.8 | 93% | 0.931 | 57% | 0.574 | S | S | * | * | 0 | -37.9 | 0 | -138.1 | 161.7 | 63.7 | 0 | 0 | 111.1 | G3 F4 Q5 | M1-G3 PolarHBondContact O-N 3.04Å; M1-F4 PolarHBondContact O-N 3Å; M1-Q5 PolarHBondContact O-N 3.06Å | |||
| 2 | D | 74.1 | Confident | 74.4 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.8 | -32.7 | -177.8 | -46.6 | -50.5 | 0 | 0 | 0 | 114.8 | F4 Q5 T6 | D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact O-N 3.37Å; D2-Q5 PolarHBondContact O-N 3.15Å; D2-T6 WeakPolarHBondContact O-CB 3.32Å; D2-T6 PolarHBondContact O-N 3.17Å; D2-T6 PolarHBondContact O-OG1 3.16Å |
| 3 | G | 75.6 | Confident | 74.6 | Confident | 47 Ų | 47 | 113.2 Ų | 113.2 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.5 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 T6 I7 | M1-G3 PolarHBondContact O-N 3.04Å; G3-T6 PolarHBondContact O-N 3.16Å; G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.25Å; G3-I7 WeakPolarHBondContact O-CG1 3.43Å; G3-I7 PolarHBondContact O-N 3.33Å |
| 4 | F | 78 | Confident | 74.9 | Confident | 142 Ų | 142 | 115.6 Ų | 115.6 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -41 | 177.3 | -173.2 | -107.1 | 0 | 0 | 0 | 111.8 | M1 D2 T6 I7 L8 | M1-F4 PolarHBondContact O-N 3Å; D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact O-N 3.37Å; F4-T6 VanDerWaalsContact C-N 3.32Å; F4-T6 PolarHBondContact O-N 3.48Å; F4-I7 PolarHBondContact O-N 3.31Å; F4-L8 HydrophobicContact CD1-CD1 3.6Å; F4-L8 HydrophobicContact CE1-CD1 3.25Å; F4-L8 HydrophobicContact CE1-CG 4.21Å; F4-L8 HydrophobicContact CG-CD1 4.46Å; F4-L8 HydrophobicContact CZ-CD1 3.86Å; F4-L8 HydrophobicContact CZ-CG 4.4Å; F4-L8 WeakPolarHBondContact O-CB 3.32Å; F4-L8 PolarHBondContact O-N 3.25Å |
| 5 | Q | 76.2 | Confident | 75.3 | Confident | 122 Ų | 122 | 117.4 Ų | 117.4 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -37.5 | 173.4 | -72.3 | -167.8 | -18.6 | 0 | 0 | 112.5 | M1 D2 L8 K9 | M1-Q5 PolarHBondContact O-N 3.06Å; D2-Q5 PolarHBondContact O-N 3.15Å; Q5-L8 PolarHBondContact O-N 3.43Å; Q5-K9 VanDerWaalsContact O-CB 3.28Å; Q5-K9 WeakPolarHBondContact O-CB 3.43Å; Q5-K9 PolarHBondContact O-N 2.97Å |
| 6 | T | 76.7 | Confident | 75.4 | Confident | 98 Ų | 98 | 111.9 Ų | 111.9 | 60% | 0.601 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D2 G3 F4 K9 F10 | D2-T6 WeakPolarHBondContact O-CB 3.32Å; D2-T6 PolarHBondContact O-N 3.17Å; D2-T6 PolarHBondContact O-OG1 3.16Å; G3-T6 PolarHBondContact O-N 3.16Å; F4-T6 VanDerWaalsContact C-N 3.32Å; F4-T6 PolarHBondContact O-N 3.48Å; T6-K9 PolarHBondContact O-N 3.5Å; T6-F10 PolarHBondContact O-N 3.31Å |
| 7 | I | 76.9 | Confident | 75.8 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.8 | -68.7 | 166 | 0 | 0 | 0 | 110.9 | G3 F4 K9 F10 F11 | G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.25Å; G3-I7 WeakPolarHBondContact O-CG1 3.43Å; G3-I7 PolarHBondContact O-N 3.33Å; F4-I7 PolarHBondContact O-N 3.31Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.1Å; I7-F10 WeakPolarHBondContact O-CB 3.49Å; I7-F10 PolarHBondContact O-N 2.97Å; I7-F11 HydrophobicContact CG2-CD2 3.61Å; I7-F11 HydrophobicContact CG2-CE2 3.34Å; I7-F11 WeakPolarHBondContact O-CD2 3.43Å; I7-F11 PolarHBondContact O-N 3.32Å |
| 8 | L | 77.3 | Confident | 76.3 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.1 | -95.3 | 163.6 | 0 | 0 | 0 | 112 | F4 Q5 F10 F11 M12 | F4-L8 HydrophobicContact CD1-CD1 3.6Å; F4-L8 HydrophobicContact CE1-CD1 3.25Å; F4-L8 HydrophobicContact CE1-CG 4.21Å; F4-L8 HydrophobicContact CG-CD1 4.46Å; F4-L8 HydrophobicContact CZ-CD1 3.86Å; F4-L8 HydrophobicContact CZ-CG 4.4Å; F4-L8 WeakPolarHBondContact O-CB 3.32Å; F4-L8 PolarHBondContact O-N 3.25Å; Q5-L8 PolarHBondContact O-N 3.43Å; L8-F10 VanDerWaalsContact C-N 3.29Å; L8-F10 PolarHBondContact O-N 3.22Å; L8-F11 PolarHBondContact O-N 2.93Å; L8-M12 WeakPolarHBondContact O-CB 3.32Å; L8-M12 VanDerWaalsContact O-CG 3.27Å; L8-M12 WeakPolarHBondContact O-CG 3.26Å; L8-M12 PolarHBondContact O-N 3.08Å |
| 9 | K | 77.2 | Confident | 76.8 | Confident | 145 Ų | 145 | 101.7 Ų | 101.7 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 177.4 | -168.4 | 175.2 | -176.1 | 177.1 | 0 | 111.7 | Q5 T6 I7 N13 | Q5-K9 VanDerWaalsContact O-CB 3.28Å; Q5-K9 WeakPolarHBondContact O-CB 3.43Å; Q5-K9 PolarHBondContact O-N 2.97Å; T6-K9 PolarHBondContact O-N 3.5Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.1Å; K9-N13 WeakPolarHBondContact O-CB 3.42Å; K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 3.35Å |
| 10 | F | 76.6 | Confident | 77.3 | Confident | 112 Ų | 112 | 98.9 Ų | 98.9 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 173.7 | 179.6 | -94.9 | 0 | 0 | 0 | 112.3 | T6 I7 L8 M12 N13 R14 | T6-F10 PolarHBondContact O-N 3.31Å; I7-F10 WeakPolarHBondContact O-CB 3.49Å; I7-F10 PolarHBondContact O-N 2.97Å; L8-F10 VanDerWaalsContact C-N 3.29Å; L8-F10 PolarHBondContact O-N 3.22Å; F10-M12 PolarHBondContact O-N 3.14Å; F10-N13 PolarHBondContact O-N 2.91Å; F10-R14 PolarHBondContact O-N 3.33Å |
| 11 | F | 72.4 | Confident | 77.8 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.4 | -77.2 | -62.4 | 0 | 0 | 0 | 112.4 | I7 L8 R14 K15 I18 | I7-F11 HydrophobicContact CG2-CD2 3.61Å; I7-F11 HydrophobicContact CG2-CE2 3.34Å; I7-F11 WeakPolarHBondContact O-CD2 3.43Å; I7-F11 PolarHBondContact O-N 3.32Å; L8-F11 PolarHBondContact O-N 2.93Å; F11-R14 CarbonylContact O-C 3.6Å; F11-R14 PolarHBondContact O-N 3.17Å; F11-K15 WeakPolarHBondContact O-CA 3.3Å; F11-K15 PolarHBondContact O-N 3Å; F11-I18 HydrophobicContact CB-CD1 4.42Å; F11-I18 HydrophobicContact CD1-CD1 3.58Å; F11-I18 HydrophobicContact CE1-CD1 4.36Å; F11-I18 HydrophobicContact CG-CD1 4.49Å |
| 12 | M | 72.9 | Confident | 79.2 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176.9 | -72.8 | -63.2 | -68.4 | 0 | 0 | 111.9 | L8 F10 R14 K15 | L8-M12 WeakPolarHBondContact O-CB 3.32Å; L8-M12 VanDerWaalsContact O-CG 3.27Å; L8-M12 WeakPolarHBondContact O-CG 3.26Å; L8-M12 PolarHBondContact O-N 3.08Å; F10-M12 PolarHBondContact O-N 3.14Å; M12-R14 PolarHBondContact O-N 2.98Å; M12-K15 PolarHBondContact O-N 3.33Å |
| 13 | N | 77.6 | Confident | 79.9 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.3 | -19 | 176.6 | -80.3 | -5.1 | 0 | 0 | 0 | 114 | K9 F10 | K9-N13 WeakPolarHBondContact O-CB 3.42Å; K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 3.35Å; F10-N13 PolarHBondContact O-N 2.91Å |
| 14 | R | 78.4 | Confident | 80.5 | Confident | 147 Ų | 147 | 92.3 Ų | 92.3 | 56% | 0.555 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 18.4 | -179.7 | -63.1 | -154.6 | -177.7 | -154.3 | 3.4 | 113.6 | F10 F11 M12 T16 A17 I18 | F10-R14 PolarHBondContact O-N 3.33Å; F11-R14 CarbonylContact O-C 3.6Å; F11-R14 PolarHBondContact O-N 3.17Å; M12-R14 PolarHBondContact O-N 2.98Å; R14-T16 PolarHBondContact O-N 3.49Å; R14-A17 PolarHBondContact O-N 3.01Å; R14-A17 VanDerWaalsContact O-N 3.08Å; R14-I18 HydrophobicContact CB-CD1 4.07Å; R14-I18 WeakPolarHBondContact O-CD1 3.48Å; R14-I18 WeakPolarHBondContact O-CG1 3.39Å; R14-I18 PolarHBondContact O-N 3.33Å |
| 15 | K | 81.4 | Confident | 81.1 | Confident | 142 Ų | 142 | 91.5 Ų | 91.5 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -50.4 | -38.2 | -174.2 | -179.3 | 176.3 | 179 | 172.3 | 0 | 112.4 | F11 M12 G19 | F11-K15 WeakPolarHBondContact O-CA 3.3Å; F11-K15 PolarHBondContact O-N 3Å; M12-K15 PolarHBondContact O-N 3.33Å; K15-G19 PolarHBondContact O-N 3.28Å |
| 16 | T | 76.6 | Confident | 81.7 | Confident | 30 Ų | 30 | 90.6 Ų | 90.6 | 18% | 0.184 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.7 | -49 | -179.3 | -37 | 0 | 0 | 0 | 0 | 112.5 | R14 I18 G19 Y20 R306 E307 | R14-T16 PolarHBondContact O-N 3.49Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 3.28Å; T16-G19 PolarHBondContact O-N 3.08Å; T16-Y20 HydrophobicContact CG2-CD2 4.2Å; T16-Y20 HydrophobicContact CG2-CE2 3.64Å; T16-Y20 WeakPolarHBondContact O-CD2 3.1Å; T16-Y20 PolarHBondContact O-N 3.21Å; T16-R306 HydrophobicContact CG2-CB 3.79Å; T16-R306 HydrophobicContact CG2-CG 4.32Å; T16-E307 HydrophobicContact CG2-CB 4.22Å; T16-E307 WeakPolarHBondContact CG2-O 3.15Å; T16-E307 PolarHBondContact OG1-OE2 2.99Å |
| 17 | A | 82.1 | Confident | 82.4 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R14 G19 Y20 S21 | R14-A17 PolarHBondContact O-N 3.01Å; R14-A17 VanDerWaalsContact O-N 3.08Å; A17-G19 VanDerWaalsContact C-N 3.32Å; A17-G19 PolarHBondContact O-N 3.18Å; A17-Y20 PolarHBondContact O-N 3.21Å; A17-S21 PolarHBondContact O-N 3.3Å; A17-S21 PolarHBondContact O-OG 3.43Å; A17-S21 VanDerWaalsContact O-OG 3.11Å |
| 18 | I | 84.6 | Confident | 83 | Confident | 69 Ų | 69 | 85.4 Ų | 85.4 | 35% | 0.354 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.5 | -63.6 | 153.7 | 0 | 0 | 0 | 110.6 | F11 R14 T16 Y20 S21 F22 | F11-I18 HydrophobicContact CB-CD1 4.42Å; F11-I18 HydrophobicContact CD1-CD1 3.58Å; F11-I18 HydrophobicContact CE1-CD1 4.36Å; F11-I18 HydrophobicContact CG-CD1 4.49Å; R14-I18 HydrophobicContact CB-CD1 4.07Å; R14-I18 WeakPolarHBondContact O-CD1 3.48Å; R14-I18 WeakPolarHBondContact O-CG1 3.39Å; R14-I18 PolarHBondContact O-N 3.33Å; T16-I18 VanDerWaalsContact C-N 3.34Å; T16-I18 PolarHBondContact O-N 3.28Å; I18-Y20 PolarHBondContact O-N 3.3Å; I18-S21 PolarHBondContact O-N 3.13Å; I18-F22 WeakPolarHBondContact O-CB 3.46Å; I18-F22 PolarHBondContact O-N 3.04Å |
| 19 | G | 85.6 | Confident | 83.5 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K15 T16 A17 M23 | K15-G19 PolarHBondContact O-N 3.28Å; T16-G19 PolarHBondContact O-N 3.08Å; A17-G19 VanDerWaalsContact C-N 3.32Å; A17-G19 PolarHBondContact O-N 3.18Å; G19-M23 WeakPolarHBondContact O-CB 3.29Å; G19-M23 PolarHBondContact O-N 3.17Å |
| 20 | Y | 86.9 | Confident | 84 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 18% | 0.18 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 176.9 | -67.8 | -45 | 0 | 0 | 0 | 112.8 | T16 A17 I18 F22 M23 A24 V109 I308 | T16-Y20 HydrophobicContact CG2-CD2 4.2Å; T16-Y20 HydrophobicContact CG2-CE2 3.64Å; T16-Y20 WeakPolarHBondContact O-CD2 3.1Å; T16-Y20 PolarHBondContact O-N 3.21Å; A17-Y20 PolarHBondContact O-N 3.21Å; I18-Y20 PolarHBondContact O-N 3.3Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 2.84Å; Y20-M23 PolarHBondContact O-N 3.01Å; Y20-A24 WeakPolarHBondContact O-CB 3.11Å; Y20-A24 PolarHBondContact O-N 2.77Å; Y20-V109 HydrophobicContact CD1-CG1 4.13Å; Y20-V109 HydrophobicContact CE1-CG1 3.92Å; Y20-I308 HydrophobicContact CE2-CG1 4.41Å |
| 21 | S | 87.4 | Confident | 84.6 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | A17 I18 A24 L25 | A17-S21 PolarHBondContact O-N 3.3Å; A17-S21 PolarHBondContact O-OG 3.43Å; A17-S21 VanDerWaalsContact O-OG 3.11Å; I18-S21 PolarHBondContact O-N 3.13Å; S21-A24 PolarHBondContact O-N 3.2Å; S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.16Å |
| 22 | F | 88.8 | Confident | 85.4 | Confident | 129 Ų | 129 | 73 Ų | 73 | 57% | 0.566 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 175.9 | -176.4 | -107.3 | 0 | 0 | 0 | 111.9 | I18 Y20 A24 L25 L26 | I18-F22 WeakPolarHBondContact O-CB 3.46Å; I18-F22 PolarHBondContact O-N 3.04Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 2.84Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; F22-L25 PolarHBondContact O-N 3.49Å; F22-L26 HydrophobicContact CD1-CD1 3.81Å; F22-L26 HydrophobicContact CD1-CG 4.33Å; F22-L26 HydrophobicContact CE1-CD1 3.33Å; F22-L26 HydrophobicContact CE1-CG 3.97Å; F22-L26 HydrophobicContact CE2-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD1 3.82Å; F22-L26 HydrophobicContact CZ-CD2 4.21Å; F22-L26 HydrophobicContact CZ-CG 4.05Å; F22-L26 WeakPolarHBondContact O-CG 3.46Å; F22-L26 PolarHBondContact O-N 2.98Å |
| 23 | M | 87.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.1 | -164.5 | 178.3 | -63.7 | 0 | 0 | 111.9 | G19 Y20 L26 T27 A110 M113 | G19-M23 WeakPolarHBondContact O-CB 3.29Å; G19-M23 PolarHBondContact O-N 3.17Å; Y20-M23 PolarHBondContact O-N 3.01Å; M23-L26 PolarHBondContact O-N 3.28Å; M23-T27 WeakPolarHBondContact O-CB 3.4Å; M23-T27 PolarHBondContact O-N 3.11Å; M23-T27 PolarHBondContact O-OG1 3.29Å; M23-A110 HydrophobicContact SD-CB 3.86Å; M23-M113 HydrophobicContact CB-CE 3.95Å; M23-M113 HydrophobicContact CG-CE 3.42Å; M23-M113 VanDerWaalsContact CG-CE 3.42Å; M23-M113 HydrophobicContact SD-CE 3.24Å; M23-M113 WeakPolarHBondContact SD-CE 3.49Å |
| 24 | A | 88.8 | Confident | 86.3 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y20 S21 F22 L26 T27 V28 M113 | Y20-A24 WeakPolarHBondContact O-CB 3.11Å; Y20-A24 PolarHBondContact O-N 2.77Å; S21-A24 PolarHBondContact O-N 3.2Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; A24-L26 PolarHBondContact O-N 3.04Å; A24-T27 WeakPolarHBondContact O-CB 3.3Å; A24-T27 PolarHBondContact O-N 3.35Å; A24-T27 VanDerWaalsContact O-N 3.16Å; A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 3.42Å; A24-M113 HydrophobicContact CB-SD 4.28Å |
| 25 | L | 90.9 | Very high | 86.2 | Confident | 125 Ų | 125 | 65 Ų | 65 | 65% | 0.654 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 176.3 | -73.3 | 170.5 | 0 | 0 | 0 | 112.3 | S21 F22 T27 V28 G29 | S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.16Å; F22-L25 PolarHBondContact O-N 3.49Å; L25-T27 VanDerWaalsContact C-N 3.28Å; L25-T27 PolarHBondContact O-N 3.03Å; L25-V28 PolarHBondContact O-N 3.21Å; L25-G29 PolarHBondContact O-N 3.31Å |
| 26 | L | 89.7 | Confident | 86.2 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 175.2 | -75.3 | 179.8 | 0 | 0 | 0 | 112.2 | F22 M23 A24 G29 G30 | F22-L26 HydrophobicContact CD1-CD1 3.81Å; F22-L26 HydrophobicContact CD1-CG 4.33Å; F22-L26 HydrophobicContact CE1-CD1 3.33Å; F22-L26 HydrophobicContact CE1-CG 3.97Å; F22-L26 HydrophobicContact CE2-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD1 3.82Å; F22-L26 HydrophobicContact CZ-CD2 4.21Å; F22-L26 HydrophobicContact CZ-CG 4.05Å; F22-L26 WeakPolarHBondContact O-CG 3.46Å; F22-L26 PolarHBondContact O-N 2.98Å; M23-L26 PolarHBondContact O-N 3.28Å; A24-L26 PolarHBondContact O-N 3.04Å; L26-G29 PolarHBondContact O-N 3.03Å; L26-G30 PolarHBondContact O-N 3.02Å |
| 27 | T | 89.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 9% | 0.086 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111 | M23 A24 L25 G30 E31 M113 W114 V117 | M23-T27 WeakPolarHBondContact O-CB 3.4Å; M23-T27 PolarHBondContact O-N 3.11Å; M23-T27 PolarHBondContact O-OG1 3.29Å; A24-T27 WeakPolarHBondContact O-CB 3.3Å; A24-T27 PolarHBondContact O-N 3.35Å; A24-T27 VanDerWaalsContact O-N 3.16Å; L25-T27 VanDerWaalsContact C-N 3.28Å; L25-T27 PolarHBondContact O-N 3.03Å; T27-G30 PolarHBondContact O-N 3.1Å; T27-E31 WeakPolarHBondContact O-CB 3.35Å; T27-E31 PolarHBondContact O-N 3.23Å; T27-M113 HydrophobicContact CG2-CB 4.31Å; T27-W114 VanDerWaalsContact CG2-CA 3.5Å; T27-W114 HydrophobicContact CG2-CB 4.18Å; T27-W114 HydrophobicContact CG2-CE3 4.39Å; T27-V117 HydrophobicContact CG2-CB 4.29Å; T27-V117 HydrophobicContact CG2-CG2 4Å |
| 28 | V | 90 | Very high | 86.3 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | A24 L25 R32 V117 | A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 3.42Å; L25-V28 PolarHBondContact O-N 3.21Å; V28-R32 WeakPolarHBondContact O-CG 3.3Å; V28-R32 PolarHBondContact O-N 2.92Å; V28-R32 VanDerWaalsContact O-N 3.08Å; V28-V117 HydrophobicContact CG2-CG1 4.16Å; V28-V117 HydrophobicContact CG2-CG2 3.91Å |
| 29 | G | 87.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L25 L26 R32 V33 | L25-G29 PolarHBondContact O-N 3.31Å; L26-G29 PolarHBondContact O-N 3.03Å; G29-R32 PolarHBondContact O-N 3.44Å; G29-V33 WeakPolarHBondContact O-CG2 3.29Å; G29-V33 PolarHBondContact O-N 3.49Å |
| 30 | G | 87.3 | Confident | 86.7 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L26 T27 R32 V33 F34 | L26-G30 PolarHBondContact O-N 3.02Å; T27-G30 PolarHBondContact O-N 3.1Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 2.79Å; G30-V33 PolarHBondContact O-N 3.37Å; G30-F34 WeakPolarHBondContact O-CD2 3.5Å; G30-F34 PolarHBondContact O-N 2.94Å |
| 31 | E | 90.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.009 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 177 | -170.5 | -76.4 | 150.7 | 0 | 0 | 111.7 | T27 V33 F34 S35 W114 V117 A118 N121 | T27-E31 WeakPolarHBondContact O-CB 3.35Å; T27-E31 PolarHBondContact O-N 3.23Å; E31-V33 VanDerWaalsContact C-N 3.33Å; E31-V33 PolarHBondContact O-N 2.72Å; E31-F34 PolarHBondContact O-N 2.74Å; E31-S35 WeakPolarHBondContact O-CB 3.33Å; E31-S35 PolarHBondContact O-N 3.28Å; E31-S35 PolarHBondContact O-OG 2.91Å; E31-W114 HydrophobicContact CB-CE3 4.42Å; E31-W114 HydrophobicContact CB-CH2 4.29Å; E31-W114 HydrophobicContact CB-CZ3 3.83Å; E31-W114 HydrophobicContact CG-CH2 4.35Å; E31-W114 HydrophobicContact CG-CZ3 4.31Å; E31-V117 HydrophobicContact CB-CG1 3.66Å; E31-V117 HydrophobicContact CG-CG1 3.81Å; E31-A118 HydrophobicContact CG-CB 4.34Å; E31-N121 VanDerWaalsContact OE1-CB 3.32Å; E31-N121 WeakPolarHBondContact OE1-CB 3.46Å; E31-N121 PolarHBondContact OE1-ND2 3.41Å |
| 32 | R | 88.1 | Confident | 87.1 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 47% | 0.468 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 176.6 | -73.2 | -62.9 | -170.7 | -168.4 | -5.2 | 112.6 | V28 G29 G30 S35 L36 N121 | V28-R32 WeakPolarHBondContact O-CG 3.3Å; V28-R32 PolarHBondContact O-N 2.92Å; V28-R32 VanDerWaalsContact O-N 3.08Å; G29-R32 PolarHBondContact O-N 3.44Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 2.79Å; R32-S35 WeakPolarHBondContact CA-OG 3.38Å; R32-S35 PolarHBondContact O-OG 2.92Å; R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.23Å; R32-L36 VanDerWaalsContact O-CG 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.15Å; R32-L36 PolarHBondContact O-N 2.98Å; R32-N121 PolarHBondContact NH1-OD1 2.87Å |
| 33 | V | 88.7 | Confident | 87.1 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | G29 G30 E31 V37 | G29-V33 WeakPolarHBondContact O-CG2 3.29Å; G29-V33 PolarHBondContact O-N 3.49Å; G30-V33 PolarHBondContact O-N 3.37Å; E31-V33 VanDerWaalsContact C-N 3.33Å; E31-V33 PolarHBondContact O-N 2.72Å; V33-V37 HydrophobicContact CG1-CG2 4.35Å; V33-V37 VanDerWaalsContact O-CB 3.23Å; V33-V37 WeakPolarHBondContact O-CB 3.22Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 3.19Å |
| 34 | F | 80.5 | Confident | 87.2 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -64.3 | -42.8 | 179.8 | -79.8 | -67.2 | 0 | 0 | 0 | 112.8 | G30 E31 A38 F39 W114 F124 | G30-F34 WeakPolarHBondContact O-CD2 3.5Å; G30-F34 PolarHBondContact O-N 2.94Å; E31-F34 PolarHBondContact O-N 2.74Å; F34-A38 PolarHBondContact O-N 3.32Å; F34-F39 WeakPolarHBondContact O-CB 3.26Å; F34-F39 PolarHBondContact O-N 3.38Å; F34-W114 HydrophobicContact CB-CH2 4.42Å; F34-W114 AromaticContact CD2-CH2 3.92Å; F34-W114 HydrophobicContact CD2-CH2 3.92Å; F34-W114 HydrophobicContact CD2-CZ3 4.19Å; F34-W114 HydrophobicContact CG-CH2 4.46Å; F34-F124 HydrophobicContact CB-CZ 4.49Å |
| 35 | S | 78 | Confident | 86.9 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | I | π-helix | trans | -68.8 | -37 | -179 | 57.1 | 0 | 0 | 0 | 0 | 113 | E31 R32 | E31-S35 WeakPolarHBondContact O-CB 3.33Å; E31-S35 PolarHBondContact O-N 3.28Å; E31-S35 PolarHBondContact O-OG 2.91Å; R32-S35 WeakPolarHBondContact CA-OG 3.38Å; R32-S35 PolarHBondContact O-OG 2.92Å |
| 36 | L | 80.6 | Confident | 86.9 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 72% | 0.723 | 38% | 0.375 | S | S | * | . | I | π-helix | trans | -85.5 | -35.4 | -178.1 | -66.3 | 173.2 | 0 | 0 | 0 | 113.8 | R32 | R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.23Å; R32-L36 VanDerWaalsContact O-CG 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.15Å; R32-L36 PolarHBondContact O-N 2.98Å |
| 37 | V | 77.4 | Confident | 87.1 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -97.4 | -41.3 | -169.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | V33 | V33-V37 HydrophobicContact CG1-CG2 4.35Å; V33-V37 VanDerWaalsContact O-CB 3.23Å; V33-V37 WeakPolarHBondContact O-CB 3.22Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 3.19Å |
| 38 | A | 82.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -108.2 | -33.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F34 R40 F54 | F34-A38 PolarHBondContact O-N 3.32Å; A38-R40 PolarHBondContact O-N 2.99Å; A38-F54 HydrophobicContact CB-CE1 4.46Å |
| 39 | F | 88.9 | Confident | 87.5 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 10% | 0.101 | 37% | 0.369 | C | S | . | . | trans | -82.3 | 116.4 | -172.3 | -170.7 | -99.8 | 0 | 0 | 0 | 112.5 | F34 C41 Y50 F54 F124 C127 | F34-F39 WeakPolarHBondContact O-CB 3.26Å; F34-F39 PolarHBondContact O-N 3.38Å; F39-C41 HydrophobicContact CE1-CB 4.23Å; F39-C41 HydrophobicContact CZ-CB 4.4Å; F39-Y50 HydrophobicContact CD2-CD1 4.38Å; F39-Y50 AromaticContact CD2-CE1 3.58Å; F39-Y50 HydrophobicContact CD2-CE1 3.58Å; F39-Y50 AromaticContact CE2-CD1 3.69Å; F39-Y50 HydrophobicContact CE2-CD1 3.69Å; F39-Y50 AromaticContact CE2-CE1 3.33Å; F39-Y50 HydrophobicContact CE2-CE1 3.33Å; F39-Y50 HydrophobicContact CG-CE1 4.47Å; F39-Y50 HydrophobicContact CZ-CD1 4.26Å; F39-Y50 HydrophobicContact CZ-CE1 4.06Å; F39-F54 HydrophobicContact CD2-CB 4.06Å; F39-F54 AromaticContact CD2-CD1 3.82Å; F39-F54 HydrophobicContact CD2-CD1 3.82Å; F39-F54 AromaticContact CD2-CD2 3.99Å; F39-F54 HydrophobicContact CD2-CD2 3.99Å; F39-F54 HydrophobicContact CD2-CE1 4.24Å; F39-F54 HydrophobicContact CD2-CE2 4.41Å; F39-F54 AromaticContact CD2-CG 3.67Å; F39-F54 HydrophobicContact CD2-CG 3.67Å; F39-F54 HydrophobicContact CE2-CB 4.08Å; F39-F54 HydrophobicContact CE2-CD2 4.18Å; F39-F54 HydrophobicContact CE2-CG 4.04Å; F39-F124 HydrophobicContact CB-CD1 4.5Å; F39-F124 HydrophobicContact CB-CE1 3.77Å; F39-F124 AromaticContact CD1-CD1 3.91Å; F39-F124 HydrophobicContact CD1-CD1 3.91Å; F39-F124 AromaticContact CD1-CE1 3.97Å; F39-F124 HydrophobicContact CD1-CE1 3.97Å; F39-F124 AromaticContact CD2-CD1 3.49Å; F39-F124 HydrophobicContact CD2-CD1 3.49Å; F39-F124 VanDerWaalsContact CD2-CD1 3.49Å; F39-F124 AromaticContact CD2-CE1 3.5Å; F39-F124 HydrophobicContact CD2-CE1 3.5Å; F39-F124 VanDerWaalsContact CD2-CE1 3.5Å; F39-F124 AromaticContact CE1-CD1 3.9Å; F39-F124 HydrophobicContact CE1-CD1 3.9Å; F39-F124 HydrophobicContact CE1-CE1 4.42Å; F39-F124 AromaticContact CE2-CD1 3.47Å; F39-F124 HydrophobicContact CE2-CD1 3.47Å; F39-F124 VanDerWaalsContact CE2-CD1 3.47Å; F39-F124 HydrophobicContact CE2-CE1 4Å; F39-F124 HydrophobicContact CE2-CG 4.42Å; F39-F124 AromaticContact CG-CD1 3.71Å; F39-F124 HydrophobicContact CG-CD1 3.71Å; F39-F124 AromaticContact CG-CE1 3.47Å; F39-F124 HydrophobicContact CG-CE1 3.47Å; F39-F124 VanDerWaalsContact CG-CE1 3.47Å; F39-F124 AromaticContact CZ-CD1 3.68Å; F39-F124 HydrophobicContact CZ-CD1 3.68Å; F39-F124 HydrophobicContact CZ-CE1 4.43Å; F39-C127 HydrophobicContact CE1-CB 4.12Å; F39-C127 HydrophobicContact CZ-CB 3.55Å | ||
| 40 | R | 90 | Very high | 87.8 | Confident | 209 Ų | 209 | 72.3 Ų | 72.3 | 79% | 0.789 | 36% | 0.364 | S | S | * | . | trans | -132 | 112.7 | 166 | -64.5 | -176.6 | -178.5 | 167.2 | 1 | 108.3 | A38 P42 Y50 | A38-R40 PolarHBondContact O-N 2.99Å; R40-P42 WeakPolarHBondContact O-CD 3.25Å; R40-Y50 WeakPolarHBondContact O-CE1 3.39Å | ||
| 41 | C | 90.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | trans | -61.9 | 125.5 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | F39 C127 A157 | F39-C41 HydrophobicContact CE1-CB 4.23Å; F39-C41 HydrophobicContact CZ-CB 4.4Å; C41-C127 VanDerWaalsContact CA-SG 3.56Å; C41-C127 HydrophobicContact CB-CB 3.72Å; C41-C127 WeakPolarHBondContact CB-SG 3.3Å; C41-C127 WeakPolarHBondContact SG-CA 2.86Å; C41-C127 WeakPolarHBondContact SG-CB 3.24Å; C41-C127 CovalentContact SG-SG 2.04Å; C41-C127 PolarHBondContact SG-SG 3.49Å; C41-A157 HydrophobicContact CB-CB 4.36Å | ||
| 42 | P | 91.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 25% | 0.253 | 36% | 0.363 | S | S | . | . | trans | -64.2 | 158.7 | 173.1 | 21.5 | -24.6 | 0 | 0 | 0 | 110.5 | R40 S44 N47 Y50 | R40-P42 WeakPolarHBondContact O-CD 3.25Å; P42-S44 VanDerWaalsContact C-N 3.32Å; P42-S44 PolarHBondContact O-N 3.4Å; P42-N47 VanDerWaalsContact C-OD1 3.26Å; P42-N47 WeakPolarHBondContact CG-OD1 3.21Å; P42-N47 PolarHBondContact O-ND2 2.97Å; P42-N47 PolarHBondContact O-OD1 3.37Å; P42-Y50 VanDerWaalsContact CD-CD1 3.44Å; P42-Y50 HydrophobicContact CG-CD1 4.23Å; P42-Y50 HydrophobicContact CG-CG 4.05Å | ||
| 43 | C | 89.8 | Confident | 88.7 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -97.6 | 56.5 | 170.4 | -57 | 0 | 0 | 0 | 0 | 109.3 | C158 | C43-C158 VanDerWaalsContact CA-SG 3.6Å; C43-C158 HydrophobicContact CB-CB 4.15Å; C43-C158 WeakPolarHBondContact CB-SG 3.29Å; C43-C158 WeakPolarHBondContact SG-CB 3.47Å; C43-C158 CovalentContact SG-SG 2.01Å; C43-C158 PolarHBondContact SG-SG 3.02Å |
| 44 | S | 89.3 | Confident | 88.9 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -139.4 | 175.6 | -169.3 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | P42 E46 N47 | P42-S44 VanDerWaalsContact C-N 3.32Å; P42-S44 PolarHBondContact O-N 3.4Å; S44-E46 PolarHBondContact O-N 2.86Å; S44-E46 PolarHBondContact OG-N 3.29Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; S44-N47 PolarHBondContact N-OD1 2.9Å; S44-N47 PolarHBondContact O-OD1 2.86Å; S44-N47 PolarHBondContact OG-OD1 3.26Å |
| 45 | N | 82.2 | Confident | 89.6 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.7 | 172.7 | -70 | -51.8 | 0 | 0 | 0 | 113.3 | N47 K133 | N45-N47 VanDerWaalsContact C-N 3.28Å; N45-N47 PolarHBondContact O-N 3.38Å; N45-K133 WeakPolarHBondContact OD1-CE 3.44Å; N45-K133 PolarHBondContact OD1-NZ 3.17Å |
| 46 | E | 91.3 | Very high | 90.4 | Very high | 93 Ų | 93 | 70 Ų | 70 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.9 | -179.9 | -62.1 | -60.3 | 142.5 | 0 | 0 | 113.2 | S44 F48 R49 Y50 | S44-E46 PolarHBondContact O-N 2.86Å; S44-E46 PolarHBondContact OG-N 3.29Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; E46-F48 PolarHBondContact O-N 3.5Å; E46-R49 PolarHBondContact O-N 3.45Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE1-NH1 3.69Å; E46-R49 PolarHBondContact OE1-NH1 2.95Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-CZ 2.79Å; E46-R49 IonicContact OE2-NE 2.84Å; E46-R49 IonicContact OE2-NH1 3.75Å; E46-R49 PolarHBondContact OE2-NH1 3.18Å; E46-Y50 WeakPolarHBondContact O-CB 3.37Å; E46-Y50 PolarHBondContact O-N 3.42Å |
| 47 | N | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.5 | -39.6 | -178.5 | -68.9 | 13.3 | 0 | 0 | 0 | 112.6 | P42 S44 N45 Y50 G51 C127 S130 H154 | P42-N47 VanDerWaalsContact C-OD1 3.26Å; P42-N47 WeakPolarHBondContact CG-OD1 3.21Å; P42-N47 PolarHBondContact O-ND2 2.97Å; P42-N47 PolarHBondContact O-OD1 3.37Å; S44-N47 PolarHBondContact N-OD1 2.9Å; S44-N47 PolarHBondContact O-OD1 2.86Å; S44-N47 PolarHBondContact OG-OD1 3.26Å; N45-N47 VanDerWaalsContact C-N 3.28Å; N45-N47 PolarHBondContact O-N 3.38Å; N47-Y50 PolarHBondContact O-N 3.19Å; N47-G51 PolarHBondContact O-N 3.23Å; N47-C127 WeakPolarHBondContact CB-O 3.41Å; N47-S130 PolarHBondContact ND2-OG 3.48Å; N47-H154 PolarHBondContact ND2-O 2.58Å |
| 48 | F | 93.9 | Very high | 91.9 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 31% | 0.311 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.5 | -52.6 | 176.8 | -179.7 | -107.2 | 0 | 0 | 0 | 111.8 | E46 L52 A128 M129 L132 | E46-F48 PolarHBondContact O-N 3.5Å; F48-L52 HydrophobicContact CD1-CD1 4.21Å; F48-L52 HydrophobicContact CD2-CD1 4.35Å; F48-L52 HydrophobicContact CE1-CD1 3.62Å; F48-L52 HydrophobicContact CE2-CD1 3.77Å; F48-L52 HydrophobicContact CE2-CG 4.26Å; F48-L52 HydrophobicContact CZ-CD1 3.38Å; F48-L52 HydrophobicContact CZ-CG 4.33Å; F48-L52 WeakPolarHBondContact O-CB 3.21Å; F48-L52 VanDerWaalsContact O-CG 3.3Å; F48-L52 WeakPolarHBondContact O-CG 3.37Å; F48-L52 PolarHBondContact O-N 3.22Å; F48-L52 VanDerWaalsContact O-N 3.09Å; F48-A128 VanDerWaalsContact CA-O 3.3Å; F48-A128 WeakPolarHBondContact CA-O 3.3Å; F48-A128 WeakPolarHBondContact CD2-O 3.41Å; F48-M129 HydrophobicContact CD2-CE 3.73Å; F48-M129 HydrophobicContact CE2-CE 3.58Å; F48-L132 HydrophobicContact CD2-CB 4.34Å; F48-L132 HydrophobicContact CD2-CD1 4Å; F48-L132 HydrophobicContact CE2-CD1 3.77Å; F48-L132 HydrophobicContact CZ-CD1 4.25Å |
| 49 | R | 95.1 | Very high | 92.5 | Very high | 161 Ų | 161 | 59.3 Ų | 59.3 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 180 | -64.6 | -171 | -176.2 | 144.4 | -10.3 | 111.3 | E46 L52 V53 | E46-R49 PolarHBondContact O-N 3.45Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE1-NH1 3.69Å; E46-R49 PolarHBondContact OE1-NH1 2.95Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-CZ 2.79Å; E46-R49 IonicContact OE2-NE 2.84Å; E46-R49 IonicContact OE2-NH1 3.75Å; E46-R49 PolarHBondContact OE2-NH1 3.18Å; R49-L52 PolarHBondContact O-N 3.42Å; R49-V53 VanDerWaalsContact O-CG2 3.3Å; R49-V53 WeakPolarHBondContact O-CG2 3.27Å; R49-V53 PolarHBondContact O-N 3.49Å |
| 50 | Y | 94 | Very high | 92.8 | Very high | 68 Ų | 68 | 64.6 Ų | 64.6 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | -179.6 | -174.3 | -96 | 0 | 0 | 0 | 111.7 | F39 R40 P42 E46 N47 L52 V53 F54 | F39-Y50 HydrophobicContact CD2-CD1 4.38Å; F39-Y50 AromaticContact CD2-CE1 3.58Å; F39-Y50 HydrophobicContact CD2-CE1 3.58Å; F39-Y50 AromaticContact CE2-CD1 3.69Å; F39-Y50 HydrophobicContact CE2-CD1 3.69Å; F39-Y50 AromaticContact CE2-CE1 3.33Å; F39-Y50 HydrophobicContact CE2-CE1 3.33Å; F39-Y50 HydrophobicContact CG-CE1 4.47Å; F39-Y50 HydrophobicContact CZ-CD1 4.26Å; F39-Y50 HydrophobicContact CZ-CE1 4.06Å; R40-Y50 WeakPolarHBondContact O-CE1 3.39Å; P42-Y50 VanDerWaalsContact CD-CD1 3.44Å; P42-Y50 HydrophobicContact CG-CD1 4.23Å; P42-Y50 HydrophobicContact CG-CG 4.05Å; E46-Y50 WeakPolarHBondContact O-CB 3.37Å; E46-Y50 PolarHBondContact O-N 3.42Å; N47-Y50 PolarHBondContact O-N 3.19Å; Y50-L52 PolarHBondContact O-N 3.14Å; Y50-V53 PolarHBondContact O-N 3.12Å; Y50-F54 HydrophobicContact CD1-CD2 4.38Å; Y50-F54 HydrophobicContact CD2-CE2 4.17Å; Y50-F54 HydrophobicContact CE1-CD2 4.04Å; Y50-F54 AromaticContact CE1-CE2 3.9Å; Y50-F54 HydrophobicContact CE1-CE2 3.9Å; Y50-F54 HydrophobicContact CE2-CD2 4.22Å; Y50-F54 AromaticContact CE2-CE2 3.5Å; Y50-F54 HydrophobicContact CE2-CE2 3.5Å; Y50-F54 VanDerWaalsContact CE2-CE2 3.5Å; Y50-F54 HydrophobicContact CE2-CZ 4.33Å; Y50-F54 AromaticContact CZ-CD2 3.94Å; Y50-F54 AromaticContact CZ-CE2 3.32Å; Y50-F54 AromaticContact CZ-CZ 3.93Å; Y50-F54 WeakPolarHBondContact O-CD2 3.39Å; Y50-F54 PolarHBondContact O-N 3.06Å; Y50-F54 WeakPolarHBondContact OH-CE2 3.46Å; Y50-F54 WeakPolarHBondContact OH-CZ 3.35Å |
| 51 | G | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N47 V53 F54 L55 | N47-G51 PolarHBondContact O-N 3.23Å; G51-V53 PolarHBondContact O-N 3.34Å; G51-F54 PolarHBondContact O-N 3.22Å; G51-L55 WeakPolarHBondContact O-CB 3.09Å; G51-L55 PolarHBondContact O-N 3.02Å |
| 52 | L | 95.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 177.7 | -75.1 | -168.7 | 0 | 0 | 0 | 113.6 | F48 R49 Y50 L55 F56 A128 | F48-L52 HydrophobicContact CD1-CD1 4.21Å; F48-L52 HydrophobicContact CD2-CD1 4.35Å; F48-L52 HydrophobicContact CE1-CD1 3.62Å; F48-L52 HydrophobicContact CE2-CD1 3.77Å; F48-L52 HydrophobicContact CE2-CG 4.26Å; F48-L52 HydrophobicContact CZ-CD1 3.38Å; F48-L52 HydrophobicContact CZ-CG 4.33Å; F48-L52 WeakPolarHBondContact O-CB 3.21Å; F48-L52 VanDerWaalsContact O-CG 3.3Å; F48-L52 WeakPolarHBondContact O-CG 3.37Å; F48-L52 PolarHBondContact O-N 3.22Å; F48-L52 VanDerWaalsContact O-N 3.09Å; R49-L52 PolarHBondContact O-N 3.42Å; Y50-L52 PolarHBondContact O-N 3.14Å; L52-L55 HydrophobicContact CD2-CD2 4.44Å; L52-L55 PolarHBondContact O-N 2.84Å; L52-F56 HydrophobicContact CB-CD2 4.39Å; L52-F56 HydrophobicContact CD2-CD2 4.09Å; L52-F56 HydrophobicContact CD2-CE2 3.72Å; L52-F56 PolarHBondContact O-N 2.79Å; L52-A128 HydrophobicContact CD2-CB 4.25Å; L52-A128 HydrophobicContact CG-CB 4.34Å |
| 53 | V | 95.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | R49 Y50 G51 L55 F56 A57 | R49-V53 VanDerWaalsContact O-CG2 3.3Å; R49-V53 WeakPolarHBondContact O-CG2 3.27Å; R49-V53 PolarHBondContact O-N 3.49Å; Y50-V53 PolarHBondContact O-N 3.12Å; G51-V53 PolarHBondContact O-N 3.34Å; V53-L55 VanDerWaalsContact C-N 3.25Å; V53-L55 PolarHBondContact O-N 3.14Å; V53-F56 PolarHBondContact O-N 2.87Å; V53-A57 HydrophobicContact CG1-CB 4.18Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.49Å |
| 54 | F | 93.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -28 | 177.2 | -83.3 | -97.5 | 0 | 0 | 0 | 112.9 | A38 F39 Y50 G51 P58 F124 | A38-F54 HydrophobicContact CB-CE1 4.46Å; F39-F54 HydrophobicContact CD2-CB 4.06Å; F39-F54 AromaticContact CD2-CD1 3.82Å; F39-F54 HydrophobicContact CD2-CD1 3.82Å; F39-F54 AromaticContact CD2-CD2 3.99Å; F39-F54 HydrophobicContact CD2-CD2 3.99Å; F39-F54 HydrophobicContact CD2-CE1 4.24Å; F39-F54 HydrophobicContact CD2-CE2 4.41Å; F39-F54 AromaticContact CD2-CG 3.67Å; F39-F54 HydrophobicContact CD2-CG 3.67Å; F39-F54 HydrophobicContact CE2-CB 4.08Å; F39-F54 HydrophobicContact CE2-CD2 4.18Å; F39-F54 HydrophobicContact CE2-CG 4.04Å; Y50-F54 HydrophobicContact CD1-CD2 4.38Å; Y50-F54 HydrophobicContact CD2-CE2 4.17Å; Y50-F54 HydrophobicContact CE1-CD2 4.04Å; Y50-F54 AromaticContact CE1-CE2 3.9Å; Y50-F54 HydrophobicContact CE1-CE2 3.9Å; Y50-F54 HydrophobicContact CE2-CD2 4.22Å; Y50-F54 AromaticContact CE2-CE2 3.5Å; Y50-F54 HydrophobicContact CE2-CE2 3.5Å; Y50-F54 VanDerWaalsContact CE2-CE2 3.5Å; Y50-F54 HydrophobicContact CE2-CZ 4.33Å; Y50-F54 AromaticContact CZ-CD2 3.94Å; Y50-F54 AromaticContact CZ-CE2 3.32Å; Y50-F54 AromaticContact CZ-CZ 3.93Å; Y50-F54 WeakPolarHBondContact O-CD2 3.39Å; Y50-F54 PolarHBondContact O-N 3.06Å; Y50-F54 WeakPolarHBondContact OH-CE2 3.46Å; Y50-F54 WeakPolarHBondContact OH-CZ 3.35Å; G51-F54 PolarHBondContact O-N 3.22Å; F54-P58 VanDerWaalsContact O-CD 3.3Å; F54-P58 WeakPolarHBondContact O-CD 3.3Å; F54-P58 WeakPolarHBondContact O-CG 3.48Å; F54-F124 HydrophobicContact CB-CD1 4.08Å; F54-F124 HydrophobicContact CB-CD2 4.32Å; F54-F124 HydrophobicContact CB-CE1 4.22Å; F54-F124 HydrophobicContact CB-CE2 4.47Å; F54-F124 HydrophobicContact CB-CG 4.15Å; F54-F124 HydrophobicContact CB-CZ 4.42Å; F54-F124 HydrophobicContact CD1-CE1 4.43Å |
| 55 | L | 94.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.8 | -50.1 | 175.5 | -171.5 | 62.4 | 0 | 0 | 0 | 112.4 | G51 L52 V53 W114 L115 A118 L119 F124 | G51-L55 WeakPolarHBondContact O-CB 3.09Å; G51-L55 PolarHBondContact O-N 3.02Å; L52-L55 HydrophobicContact CD2-CD2 4.44Å; L52-L55 PolarHBondContact O-N 2.84Å; V53-L55 VanDerWaalsContact C-N 3.25Å; V53-L55 PolarHBondContact O-N 3.14Å; L55-W114 PolarHBondContact O-NE1 2.97Å; L55-L115 HydrophobicContact CD1-CD2 3.96Å; L55-L115 HydrophobicContact CG-CD2 3.9Å; L55-A118 HydrophobicContact CD1-CB 3.72Å; L55-L119 HydrophobicContact CD1-CG 4.48Å; L55-L119 HydrophobicContact CD2-CD2 4.47Å; L55-F124 HydrophobicContact CB-CB 4.45Å; L55-F124 HydrophobicContact CD1-CD2 4.5Å |
| 56 | F | 95.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -98.3 | -28.8 | -169.4 | -70.5 | -62.4 | 0 | 0 | 0 | 115.2 | L52 V53 A59 F60 L115 | L52-F56 HydrophobicContact CB-CD2 4.39Å; L52-F56 HydrophobicContact CD2-CD2 4.09Å; L52-F56 HydrophobicContact CD2-CE2 3.72Å; L52-F56 PolarHBondContact O-N 2.79Å; V53-F56 PolarHBondContact O-N 2.87Å; F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 3.47Å; F56-F60 PolarHBondContact O-N 2.97Å; F56-L115 HydrophobicContact CD1-CD2 3.96Å; F56-L115 HydrophobicContact CE1-CD1 4.47Å; F56-L115 HydrophobicContact CE1-CD2 4.01Å |
| 57 | A | 95.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V53 A59 F60 V61 | V53-A57 HydrophobicContact CG1-CB 4.18Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.49Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.49Å; A57-F60 PolarHBondContact O-N 3.01Å; A57-V61 WeakPolarHBondContact O-CG2 3.09Å; A57-V61 PolarHBondContact O-N 3.49Å |
| 58 | P | 94 | Very high | 94.2 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 174.5 | -23.1 | 36.1 | 0 | 0 | 0 | 112.4 | F54 F60 V61 L62 W114 | F54-P58 VanDerWaalsContact O-CD 3.3Å; F54-P58 WeakPolarHBondContact O-CD 3.3Å; F54-P58 WeakPolarHBondContact O-CG 3.48Å; P58-F60 VanDerWaalsContact C-N 3.33Å; P58-F60 PolarHBondContact O-N 3.45Å; P58-V61 PolarHBondContact O-N 2.85Å; P58-L62 WeakPolarHBondContact O-CB 3.48Å; P58-L62 VanDerWaalsContact O-CG 3.29Å; P58-L62 WeakPolarHBondContact O-CG 3.18Å; P58-L62 PolarHBondContact O-N 3.06Å; P58-W114 HydrophobicContact CB-CD2 4.02Å; P58-W114 HydrophobicContact CB-CH2 4.18Å; P58-W114 HydrophobicContact CB-CZ2 3.66Å; P58-W114 HydrophobicContact CG-CH2 4.21Å; P58-W114 HydrophobicContact CG-CZ2 3.57Å |
| 59 | A | 95.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 66 Ų | 66 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F56 A57 L62 L63 P111 L115 | F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 3.47Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.49Å; A59-L62 PolarHBondContact O-N 3.22Å; A59-L63 PolarHBondContact O-N 3.03Å; A59-P111 HydrophobicContact CB-CB 4.2Å; A59-P111 WeakPolarHBondContact O-CG 3.45Å; A59-L115 HydrophobicContact CB-CD2 4.29Å; A59-L115 HydrophobicContact CB-CG 4.19Å |
| 60 | F | 95.8 | Very high | 93.4 | Very high | 134 Ų | 134 | 59 Ų | 59 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.3 | -179.8 | -103 | 0 | 0 | 0 | 112.3 | F56 A57 P58 L62 L63 V64 | F56-F60 PolarHBondContact O-N 2.97Å; A57-F60 PolarHBondContact O-N 3.01Å; P58-F60 VanDerWaalsContact C-N 3.33Å; P58-F60 PolarHBondContact O-N 3.45Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 3.47Å; F60-L63 WeakPolarHBondContact O-CB 3.24Å; F60-L63 PolarHBondContact O-N 3.39Å; F60-V64 HydrophobicContact CD1-CG2 4.42Å; F60-V64 HydrophobicContact CE1-CG2 4Å; F60-V64 HydrophobicContact CE2-CG2 4.44Å; F60-V64 HydrophobicContact CZ-CG2 4.01Å; F60-V64 WeakPolarHBondContact O-CG2 3.21Å; F60-V64 PolarHBondContact O-N 3.35Å |
| 61 | V | 95.4 | Very high | 92.9 | Very high | 82 Ų | 82 | 60 Ų | 60 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | A57 P58 L63 V64 I65 | A57-V61 WeakPolarHBondContact O-CG2 3.09Å; A57-V61 PolarHBondContact O-N 3.49Å; P58-V61 PolarHBondContact O-N 2.85Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 2.97Å; V61-V64 PolarHBondContact O-N 3.31Å; V61-I65 HydrophobicContact CG1-CD1 3.89Å; V61-I65 HydrophobicContact CG1-CG1 4.5Å; V61-I65 WeakPolarHBondContact O-CG1 3.31Å; V61-I65 PolarHBondContact O-N 3Å |
| 62 | L | 93.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 175.8 | -72.4 | 171.9 | 0 | 0 | 0 | 112.3 | P58 A59 F60 G66 A110 P111 W114 | P58-L62 WeakPolarHBondContact O-CB 3.48Å; P58-L62 VanDerWaalsContact O-CG 3.29Å; P58-L62 WeakPolarHBondContact O-CG 3.18Å; P58-L62 PolarHBondContact O-N 3.06Å; A59-L62 PolarHBondContact O-N 3.22Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 3.47Å; L62-G66 PolarHBondContact O-N 3.2Å; L62-A110 HydrophobicContact CB-CB 4.22Å; L62-A110 HydrophobicContact CD1-CB 4.44Å; L62-A110 HydrophobicContact CD2-CB 4.46Å; L62-P111 HydrophobicContact CB-CG 4.22Å; L62-W114 HydrophobicContact CD1-CB 3.77Å; L62-W114 HydrophobicContact CD1-CG 4.3Å |
| 63 | L | 95.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.183 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -47 | 175.1 | 177.9 | 62.7 | 0 | 0 | 0 | 111.1 | A59 F60 V61 G66 Y67 A107 L108 P111 | A59-L63 PolarHBondContact O-N 3.03Å; F60-L63 WeakPolarHBondContact O-CB 3.24Å; F60-L63 PolarHBondContact O-N 3.39Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 2.97Å; L63-G66 WeakPolarHBondContact O-CA 3.42Å; L63-G66 PolarHBondContact O-N 3.25Å; L63-G66 VanDerWaalsContact O-N 3.15Å; L63-Y67 HydrophobicContact CD1-CD2 4.21Å; L63-Y67 HydrophobicContact CD1-CE2 3.64Å; L63-Y67 HydrophobicContact CD2-CE2 4.29Å; L63-Y67 HydrophobicContact CG-CD2 4.14Å; L63-Y67 HydrophobicContact CG-CE2 3.72Å; L63-Y67 VanDerWaalsContact O-CD2 3.26Å; L63-Y67 WeakPolarHBondContact O-CD2 2.94Å; L63-Y67 PolarHBondContact O-N 3.49Å; L63-A107 HydrophobicContact CD1-CB 3.91Å; L63-L108 HydrophobicContact CD1-CD2 4.02Å; L63-L108 HydrophobicContact CD1-CG 4.38Å; L63-P111 HydrophobicContact CB-CG 3.75Å; L63-P111 HydrophobicContact CD1-CG 4.41Å |
| 64 | V | 95.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F60 V61 G66 Y67 F68 | F60-V64 HydrophobicContact CD1-CG2 4.42Å; F60-V64 HydrophobicContact CE1-CG2 4Å; F60-V64 HydrophobicContact CE2-CG2 4.44Å; F60-V64 HydrophobicContact CZ-CG2 4.01Å; F60-V64 WeakPolarHBondContact O-CG2 3.21Å; F60-V64 PolarHBondContact O-N 3.35Å; V61-V64 PolarHBondContact O-N 3.31Å; V64-G66 VanDerWaalsContact C-N 3.26Å; V64-G66 PolarHBondContact O-N 3.37Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.29Å; V64-Y67 VanDerWaalsContact O-N 3.1Å; V64-F68 HydrophobicContact CG1-CD2 3.78Å; V64-F68 HydrophobicContact CG1-CE2 3.6Å; V64-F68 VanDerWaalsContact O-CD2 3.29Å; V64-F68 WeakPolarHBondContact O-CD2 3.3Å; V64-F68 PolarHBondContact O-N 3.37Å; V64-F68 VanDerWaalsContact O-N 3.09Å |
| 65 | I | 92.7 | Very high | 90.7 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 41% | 0.41 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 175.4 | -67 | 168.8 | 0 | 0 | 0 | 110.7 | V61 Y67 F68 L69 | V61-I65 HydrophobicContact CG1-CD1 3.89Å; V61-I65 HydrophobicContact CG1-CG1 4.5Å; V61-I65 WeakPolarHBondContact O-CG1 3.31Å; V61-I65 PolarHBondContact O-N 3Å; I65-Y67 VanDerWaalsContact C-N 3.29Å; I65-Y67 PolarHBondContact O-N 2.92Å; I65-F68 PolarHBondContact O-N 2.57Å; I65-F68 VanDerWaalsContact O-N 3.14Å; I65-L69 HydrophobicContact CG2-CD1 3.7Å; I65-L69 HydrophobicContact CG2-CG 4.1Å; I65-L69 WeakPolarHBondContact O-CG 3.37Å; I65-L69 PolarHBondContact O-N 3.32Å |
| 66 | G | 91.9 | Very high | 90 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L62 L63 V64 N70 | L62-G66 PolarHBondContact O-N 3.2Å; L63-G66 WeakPolarHBondContact O-CA 3.42Å; L63-G66 PolarHBondContact O-N 3.25Å; L63-G66 VanDerWaalsContact O-N 3.15Å; V64-G66 VanDerWaalsContact C-N 3.26Å; V64-G66 PolarHBondContact O-N 3.37Å; G66-N70 WeakPolarHBondContact O-CB 3.27Å; G66-N70 PolarHBondContact O-N 3.05Å |
| 67 | Y | 91.5 | Very high | 89.3 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 173.2 | -75.5 | -64 | 0 | 0 | 0 | 112.8 | L63 V64 I65 L69 N70 T73 F100 I103 T104 A107 | L63-Y67 HydrophobicContact CD1-CD2 4.21Å; L63-Y67 HydrophobicContact CD1-CE2 3.64Å; L63-Y67 HydrophobicContact CD2-CE2 4.29Å; L63-Y67 HydrophobicContact CG-CD2 4.14Å; L63-Y67 HydrophobicContact CG-CE2 3.72Å; L63-Y67 VanDerWaalsContact O-CD2 3.26Å; L63-Y67 WeakPolarHBondContact O-CD2 2.94Å; L63-Y67 PolarHBondContact O-N 3.49Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.29Å; V64-Y67 VanDerWaalsContact O-N 3.1Å; I65-Y67 VanDerWaalsContact C-N 3.29Å; I65-Y67 PolarHBondContact O-N 2.92Å; Y67-L69 PolarHBondContact O-N 3.01Å; Y67-N70 PolarHBondContact O-N 3.37Å; Y67-T73 PolarHBondContact O-OG1 3.25Å; Y67-T73 VanDerWaalsContact O-OG1 3.1Å; Y67-F100 HydrophobicContact CE1-CE2 4.39Å; Y67-I103 HydrophobicContact CD1-CG2 4.02Å; Y67-I103 HydrophobicContact CE1-CG2 4.02Å; Y67-T104 WeakPolarHBondContact OH-CB 3.1Å; Y67-T104 WeakPolarHBondContact OH-CG2 3.28Å; Y67-T104 PolarHBondContact OH-OG1 2.83Å; Y67-A107 HydrophobicContact CD1-CB 4.3Å; Y67-A107 HydrophobicContact CE1-CB 4.29Å; Y67-A107 HydrophobicContact CG-CB 4.46Å |
| 68 | F | 91.2 | Very high | 88.7 | Confident | 129 Ų | 129 | 67.5 Ų | 67.5 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 178.8 | -86.9 | -78.2 | 0 | 0 | 0 | 112.6 | V64 I65 N70 W74 | V64-F68 HydrophobicContact CG1-CD2 3.78Å; V64-F68 HydrophobicContact CG1-CE2 3.6Å; V64-F68 VanDerWaalsContact O-CD2 3.29Å; V64-F68 WeakPolarHBondContact O-CD2 3.3Å; V64-F68 PolarHBondContact O-N 3.37Å; V64-F68 VanDerWaalsContact O-N 3.09Å; I65-F68 PolarHBondContact O-N 2.57Å; I65-F68 VanDerWaalsContact O-N 3.14Å; F68-N70 VanDerWaalsContact C-N 3.26Å; F68-N70 PolarHBondContact O-N 3.43Å; F68-W74 HydrophobicContact CD1-CH2 4.18Å; F68-W74 AromaticContact CD1-CZ2 3.6Å; F68-W74 HydrophobicContact CD1-CZ2 3.6Å; F68-W74 HydrophobicContact CE1-CH2 4.03Å; F68-W74 AromaticContact CE1-CZ2 3.94Å; F68-W74 HydrophobicContact CE1-CZ2 3.94Å; F68-W74 PolarHBondContact O-NE1 3.47Å |
| 69 | L | 87.2 | Confident | 87.8 | Confident | 139 Ų | 139 | 67.2 Ų | 67.2 | 73% | 0.728 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10 | -178.4 | -64.2 | 178.8 | 0 | 0 | 0 | 113.7 | I65 Y67 S71 | I65-L69 HydrophobicContact CG2-CD1 3.7Å; I65-L69 HydrophobicContact CG2-CG 4.1Å; I65-L69 WeakPolarHBondContact O-CG 3.37Å; I65-L69 PolarHBondContact O-N 3.32Å; Y67-L69 PolarHBondContact O-N 3.01Å; L69-S71 PolarHBondContact O-N 3.2Å |
| 70 | N | 86 | Confident | 86.8 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.08 | 36% | 0.355 | C | S | . | . | trans | -90.9 | 106.4 | -179.5 | -168.7 | -13.2 | 0 | 0 | 0 | 110.8 | G66 Y67 F68 K72 T73 | G66-N70 WeakPolarHBondContact O-CB 3.27Å; G66-N70 PolarHBondContact O-N 3.05Å; Y67-N70 PolarHBondContact O-N 3.37Å; F68-N70 VanDerWaalsContact C-N 3.26Å; F68-N70 PolarHBondContact O-N 3.43Å; N70-K72 PolarHBondContact O-N 2.72Å; N70-K72 VanDerWaalsContact O-N 3.07Å; N70-K72 WeakPolarHBondContact OD1-CB 3.29Å; N70-K72 PolarHBondContact OD1-N 3.48Å; N70-K72 VanDerWaalsContact OD1-N 3.13Å; N70-T73 VanDerWaalsContact O-CB 3.25Å; N70-T73 WeakPolarHBondContact O-CB 3.34Å; N70-T73 PolarHBondContact O-N 2.59Å; N70-T73 PolarHBondContact O-OG1 3.23Å | ||
| 71 | S | 81.9 | Confident | 85.8 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 62% | 0.622 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.8 | -25.7 | 178.4 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | L69 T73 W74 K75 | L69-S71 PolarHBondContact O-N 3.2Å; S71-T73 VanDerWaalsContact C-N 3.34Å; S71-W74 PolarHBondContact O-N 3.14Å; S71-K75 PolarHBondContact O-N 3.1Å |
| 72 | K | 80.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.3 | -29.8 | 177.5 | -61 | -177.1 | 178.6 | -176.9 | 0 | 112.8 | N70 W74 K75 L76 I103 D304 | N70-K72 PolarHBondContact O-N 2.72Å; N70-K72 VanDerWaalsContact O-N 3.07Å; N70-K72 WeakPolarHBondContact OD1-CB 3.29Å; N70-K72 PolarHBondContact OD1-N 3.48Å; N70-K72 VanDerWaalsContact OD1-N 3.13Å; K72-W74 VanDerWaalsContact C-N 3.32Å; K72-K75 PolarHBondContact O-N 3.49Å; K72-L76 WeakPolarHBondContact O-CB 3.5Å; K72-L76 PolarHBondContact O-N 3.07Å; K72-I103 HydrophobicContact CB-CD1 4.07Å; K72-I103 HydrophobicContact CB-CG1 4.09Å; K72-D304 IonicContact NZ-OD2 2.84Å |
| 73 | T | 85.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 75.5 Ų | 75.5 | 8% | 0.08 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58 | -50.1 | 172.9 | -51.2 | 0 | 0 | 0 | 0 | 109.4 | Y67 N70 S71 L76 F77 I103 | Y67-T73 PolarHBondContact O-OG1 3.25Å; Y67-T73 VanDerWaalsContact O-OG1 3.1Å; N70-T73 VanDerWaalsContact O-CB 3.25Å; N70-T73 WeakPolarHBondContact O-CB 3.34Å; N70-T73 PolarHBondContact O-N 2.59Å; N70-T73 PolarHBondContact O-OG1 3.23Å; S71-T73 VanDerWaalsContact C-N 3.34Å; T73-L76 PolarHBondContact O-N 2.97Å; T73-F77 HydrophobicContact CG2-CD2 3.89Å; T73-F77 HydrophobicContact CG2-CE2 4.1Å; T73-F77 VanDerWaalsContact O-CD2 3.24Å; T73-F77 WeakPolarHBondContact O-CD2 3.26Å; T73-F77 PolarHBondContact O-N 3.4Å; T73-I103 WeakPolarHBondContact OG1-CG2 3.38Å |
| 74 | W | 85.3 | Confident | 82.4 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 47% | 0.473 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 178.8 | -57.3 | 109.5 | 0 | 0 | 0 | 112 | F68 S71 K72 L76 F77 T78 | F68-W74 HydrophobicContact CD1-CH2 4.18Å; F68-W74 AromaticContact CD1-CZ2 3.6Å; F68-W74 HydrophobicContact CD1-CZ2 3.6Å; F68-W74 HydrophobicContact CE1-CH2 4.03Å; F68-W74 AromaticContact CE1-CZ2 3.94Å; F68-W74 HydrophobicContact CE1-CZ2 3.94Å; F68-W74 PolarHBondContact O-NE1 3.47Å; S71-W74 PolarHBondContact O-N 3.14Å; K72-W74 VanDerWaalsContact C-N 3.32Å; W74-L76 PolarHBondContact O-N 3.09Å; W74-F77 PolarHBondContact O-N 3.27Å; W74-T78 WeakPolarHBondContact O-CB 3.25Å; W74-T78 PolarHBondContact O-N 3.22Å; W74-T78 PolarHBondContact O-OG1 3Å |
| 75 | K | 80.5 | Confident | 81 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -32.6 | 175.5 | -170 | 170.5 | -178.4 | 172.5 | 0 | 112.8 | S71 K72 | S71-K75 PolarHBondContact O-N 3.1Å; K72-K75 PolarHBondContact O-N 3.49Å |
| 76 | L | 79.2 | Confident | 79.7 | Confident | 5 Ų | 5 | 80.7 Ų | 80.7 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -77.2 | -41.4 | 178.3 | -177.2 | 63.6 | 0 | 0 | 0 | 112.7 | K72 T73 W74 I87 F96 V99 I103 L268 | K72-L76 WeakPolarHBondContact O-CB 3.5Å; K72-L76 PolarHBondContact O-N 3.07Å; T73-L76 PolarHBondContact O-N 2.97Å; W74-L76 PolarHBondContact O-N 3.09Å; L76-I87 HydrophobicContact CD1-CG2 4.42Å; L76-I87 WeakPolarHBondContact O-CD1 3.35Å; L76-I87 WeakPolarHBondContact O-CG1 3.37Å; L76-F96 HydrophobicContact CD1-CD2 4.12Å; L76-F96 HydrophobicContact CD1-CE2 4.23Å; L76-F96 HydrophobicContact CD2-CD2 4.23Å; L76-F96 HydrophobicContact CD2-CE2 3.76Å; L76-F96 HydrophobicContact CG-CD2 4.5Å; L76-F96 HydrophobicContact CG-CE2 4.11Å; L76-V99 HydrophobicContact CD2-CG1 4.4Å; L76-I103 HydrophobicContact CD2-CD1 3.95Å; L76-L268 HydrophobicContact CD1-CD1 3.71Å |
| 77 | F | 82.3 | Confident | 78.4 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 39% | 0.386 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -96.1 | -22.7 | -171.7 | -70.8 | -68.3 | 0 | 0 | 0 | 114.8 | T73 W74 G79 C80 F96 F100 | T73-F77 HydrophobicContact CG2-CD2 3.89Å; T73-F77 HydrophobicContact CG2-CE2 4.1Å; T73-F77 VanDerWaalsContact O-CD2 3.24Å; T73-F77 WeakPolarHBondContact O-CD2 3.26Å; T73-F77 PolarHBondContact O-N 3.4Å; W74-F77 PolarHBondContact O-N 3.27Å; F77-G79 PolarHBondContact O-N 3.36Å; F77-C80 VanDerWaalsContact O-CB 3.3Å; F77-C80 WeakPolarHBondContact O-CB 3.45Å; F77-C80 PolarHBondContact O-N 3.24Å; F77-F96 HydrophobicContact CE1-CE2 4.38Å; F77-F96 HydrophobicContact CE1-CZ 4.32Å; F77-F96 HydrophobicContact CZ-CE2 4.49Å; F77-F96 HydrophobicContact CZ-CZ 4.29Å; F77-F100 HydrophobicContact CE2-CD2 4.46Å; F77-F100 HydrophobicContact CE2-CE2 4.38Å; F77-F100 HydrophobicContact CZ-CD2 4.25Å; F77-F100 HydrophobicContact CZ-CE2 4.22Å |
| 78 | T | 81.9 | Confident | 77.2 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 123.8 | 178.8 | -62 | 0 | 0 | 0 | 0 | 110.7 | W74 | W74-T78 WeakPolarHBondContact O-CB 3.25Å; W74-T78 PolarHBondContact O-N 3.22Å; W74-T78 PolarHBondContact O-OG1 3Å |
| 79 | G | 74.2 | Confident | 75.9 | Confident | 23 Ų | 23 | 77.5 Ų | 77.5 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 10.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F77 W81 V82 N83 | F77-G79 PolarHBondContact O-N 3.36Å; G79-W81 VanDerWaalsContact C-N 3.26Å; G79-W81 PolarHBondContact O-N 3.13Å; G79-V82 PolarHBondContact O-N 3.42Å; G79-N83 PolarHBondContact O-N 3.38Å; G79-N83 VanDerWaalsContact O-N 3.15Å |
| 80 | C | 76.3 | Confident | 74.7 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -41.7 | 179 | 177 | 0 | 0 | 0 | 0 | 113.6 | F77 V82 N83 P84 I87 | F77-C80 VanDerWaalsContact O-CB 3.3Å; F77-C80 WeakPolarHBondContact O-CB 3.45Å; F77-C80 PolarHBondContact O-N 3.24Å; C80-V82 VanDerWaalsContact C-N 3.35Å; C80-N83 CarbonylContact O-C 3.57Å; C80-P84 WeakPolarHBondContact O-CA 3.2Å; C80-P84 WeakPolarHBondContact O-CG 3.41Å; C80-I87 HydrophobicContact CB-CD1 3.38Å; C80-I87 WeakPolarHBondContact SG-CD1 3.46Å |
| 81 | W | 73.5 | Confident | 73.5 | Confident | 250 Ų | 250 | 82.9 Ų | 82.9 | 95% | 0.947 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -19.9 | -176.9 | -64.7 | 67.4 | 0 | 0 | 0 | 113.1 | G79 | G79-W81 VanDerWaalsContact C-N 3.26Å; G79-W81 PolarHBondContact O-N 3.13Å |
| 82 | V | 75.4 | Confident | 72.7 | Confident | 102 Ų | 102 | 80.3 Ų | 80.3 | 62% | 0.618 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -42.8 | 180 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | G79 C80 F259 | G79-V82 PolarHBondContact O-N 3.42Å; C80-V82 VanDerWaalsContact C-N 3.35Å; V82-F259 HydrophobicContact CG1-CZ 4.4Å |
| 83 | N | 69.4 | Low | 72.1 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | trans | -141.9 | 86.1 | 176.5 | -170.9 | 0.1 | 0 | 0 | 0 | 111.7 | G79 C80 R85 K86 | G79-N83 PolarHBondContact O-N 3.38Å; G79-N83 VanDerWaalsContact O-N 3.15Å; C80-N83 CarbonylContact O-C 3.57Å; N83-R85 PolarHBondContact O-N 3.42Å; N83-R85 VanDerWaalsContact O-N 3.1Å; N83-R85 WeakPolarHBondContact OD1-CB 3.46Å; N83-R85 PolarHBondContact OD1-N 2.99Å; N83-K86 WeakPolarHBondContact O-CB 3.43Å; N83-K86 PolarHBondContact O-N 2.84Å | ||
| 84 | P | 69.2 | Low | 71.6 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -59.8 | -24.4 | 179.6 | -23.1 | 32.3 | 0 | 0 | 0 | 113.4 | C80 K86 I87 F88 | C80-P84 WeakPolarHBondContact O-CA 3.2Å; C80-P84 WeakPolarHBondContact O-CG 3.41Å; P84-K86 PolarHBondContact O-N 3.49Å; P84-I87 PolarHBondContact O-N 2.78Å; P84-I87 VanDerWaalsContact O-N 3.16Å; P84-F88 PolarHBondContact O-N 3.04Å |
| 85 | R | 65.3 | Low | 71.1 | Confident | 168 Ų | 168 | 80.6 Ų | 80.6 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.5 | 178.7 | -62.3 | -176 | 177.9 | 169.6 | 3.6 | 113.2 | N83 I87 F88 P89 | N83-R85 PolarHBondContact O-N 3.42Å; N83-R85 VanDerWaalsContact O-N 3.1Å; N83-R85 WeakPolarHBondContact OD1-CB 3.46Å; N83-R85 PolarHBondContact OD1-N 2.99Å; R85-I87 VanDerWaalsContact C-N 3.26Å; R85-I87 PolarHBondContact O-N 3.13Å; R85-F88 CarbonylContact O-C 3.48Å; R85-P89 WeakPolarHBondContact O-CA 3.37Å |
| 86 | K | 64.6 | Low | 71 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -66 | -30.6 | 172 | -171.7 | 178.5 | -173.6 | 175.5 | 0 | 112.2 | N83 P84 E263 S266 Q267 | N83-K86 WeakPolarHBondContact O-CB 3.43Å; N83-K86 PolarHBondContact O-N 2.84Å; P84-K86 PolarHBondContact O-N 3.49Å; K86-E263 IonicContact NZ-OE2 3.76Å; K86-E263 PolarHBondContact NZ-OE2 2.98Å; K86-S266 VanDerWaalsContact CE-O 3.3Å; K86-S266 WeakPolarHBondContact CE-O 3.31Å; K86-Q267 HydrophobicContact CG-CG 4.43Å |
| 87 | I | 64.9 | Low | 71.1 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 4% | 0.036 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -41.6 | -178.8 | -61.3 | 173.6 | 0 | 0 | 0 | 110.1 | L76 C80 P84 R85 P89 F96 | L76-I87 HydrophobicContact CD1-CG2 4.42Å; L76-I87 WeakPolarHBondContact O-CD1 3.35Å; L76-I87 WeakPolarHBondContact O-CG1 3.37Å; C80-I87 HydrophobicContact CB-CD1 3.38Å; C80-I87 WeakPolarHBondContact SG-CD1 3.46Å; P84-I87 PolarHBondContact O-N 2.78Å; P84-I87 VanDerWaalsContact O-N 3.16Å; R85-I87 VanDerWaalsContact C-N 3.26Å; R85-I87 PolarHBondContact O-N 3.13Å; I87-P89 VanDerWaalsContact O-CD 3.26Å; I87-P89 WeakPolarHBondContact O-CD 3.42Å; I87-F96 HydrophobicContact CG2-CD2 3.31Å; I87-F96 HydrophobicContact CG2-CE2 3.62Å; I87-F96 HydrophobicContact CG2-CG 4.23Å |
| 88 | F | 66.4 | Low | 71.1 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -115.6 | 81.3 | 177.8 | -60 | -76 | 0 | 0 | 0 | 110.2 | P84 R85 I93 F96 | P84-F88 PolarHBondContact O-N 3.04Å; R85-F88 CarbonylContact O-C 3.48Å; F88-I93 HydrophobicContact CD1-CG1 4.42Å; F88-F96 HydrophobicContact CD1-CB 4.07Å; F88-F96 HydrophobicContact CD1-CG 4.47Å; F88-F96 HydrophobicContact CE1-CB 3.64Å; F88-F96 AromaticContact CE1-CD1 3.8Å; F88-F96 HydrophobicContact CE1-CD1 3.8Å; F88-F96 HydrophobicContact CE1-CD2 4.3Å; F88-F96 AromaticContact CE1-CG 3.63Å; F88-F96 HydrophobicContact CE1-CG 3.63Å; F88-F96 HydrophobicContact CZ-CB 4.36Å; F88-F96 AromaticContact CZ-CD1 3.94Å; F88-F96 HydrophobicContact CZ-CD1 3.94Å; F88-F96 HydrophobicContact CZ-CD2 4.2Å; F88-F96 HydrophobicContact CZ-CE1 4.28Å; F88-F96 HydrophobicContact CZ-CE2 4.5Å; F88-F96 AromaticContact CZ-CG 3.89Å; F88-F96 HydrophobicContact CZ-CG 3.89Å |
| 89 | P | 64.6 | Low | 71.1 | Confident | 38 Ų | 38 | 79 Ų | 79 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | trans | -58.5 | 145.1 | 170.9 | 23.8 | -31 | 0 | 0 | 0 | 109.6 | R85 I87 G91 N92 | R85-P89 WeakPolarHBondContact O-CA 3.37Å; I87-P89 VanDerWaalsContact O-CD 3.26Å; I87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-G91 PolarHBondContact O-N 3.29Å; P89-G91 VanDerWaalsContact O-N 3.08Å; P89-N92 PolarHBondContact O-N 3.09Å | ||
| 90 | K | 61.4 | Low | 71.6 | Confident | 179 Ų | 179 | 81 Ų | 81 | 78% | 0.778 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 120.1 | -178.8 | -78.2 | -175.4 | 176.3 | 179.7 | 0 | 109.7 | ||
| 91 | G | 61.7 | Low | 72.2 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 92% | 0.918 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 0.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | P89 | P89-G91 PolarHBondContact O-N 3.29Å; P89-G91 VanDerWaalsContact O-N 3.08Å |
| 92 | N | 64 | Low | 72.7 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | trans | -135.3 | 68.8 | -179.5 | -161 | -2.6 | 0 | 0 | 0 | 114.2 | P89 C94 H95 T298 | P89-N92 PolarHBondContact O-N 3.09Å; N92-C94 PolarHBondContact O-N 3.42Å; N92-H95 HydrophobicContact CB-CB 4.28Å; N92-H95 VanDerWaalsContact O-CB 3.25Å; N92-H95 WeakPolarHBondContact O-CB 3.37Å; N92-H95 PolarHBondContact O-N 3.36Å; N92-H95 PolarHBondContact OD1-N 2.86Å; N92-H95 VanDerWaalsContact OD1-N 3.14Å; N92-T298 PolarHBondContact ND2-O 2.79Å; N92-T298 PolarHBondContact ND2-OG1 2.95Å | ||
| 93 | I | 69.1 | Low | 73.3 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 54% | 0.544 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | 172.4 | -68.5 | 169.3 | 0 | 0 | 0 | 111.4 | F88 H95 F96 F97 | F88-I93 HydrophobicContact CD1-CG1 4.42Å; I93-H95 PolarHBondContact O-N 2.84Å; I93-F96 PolarHBondContact O-N 3.25Å; I93-F97 HydrophobicContact CG2-CD2 3.81Å; I93-F97 HydrophobicContact CG2-CE2 3.45Å; I93-F97 VanDerWaalsContact CG2-CE2 3.45Å; I93-F97 WeakPolarHBondContact O-CD2 3.27Å |
| 94 | C | 74.5 | Confident | 74.3 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.9 | -29.7 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | N92 F97 Y98 | N92-C94 PolarHBondContact O-N 3.42Å; C94-F97 PolarHBondContact O-N 3.48Å; C94-Y98 WeakPolarHBondContact O-CB 3.47Å; C94-Y98 PolarHBondContact O-N 2.88Å |
| 95 | H | 73.7 | Confident | 75.3 | Confident | 16 Ų | 16 | 67 Ų | 67 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.7 | 177.9 | -111.6 | 0 | 0 | 0 | 112.7 | N92 I93 F97 Y98 V99 L300 | N92-H95 HydrophobicContact CB-CB 4.28Å; N92-H95 VanDerWaalsContact O-CB 3.25Å; N92-H95 WeakPolarHBondContact O-CB 3.37Å; N92-H95 PolarHBondContact O-N 3.36Å; N92-H95 PolarHBondContact OD1-N 2.86Å; N92-H95 VanDerWaalsContact OD1-N 3.14Å; I93-H95 PolarHBondContact O-N 2.84Å; H95-F97 PolarHBondContact O-N 3.26Å; H95-Y98 PolarHBondContact O-N 3.5Å; H95-V99 WeakPolarHBondContact O-CG2 3.42Å; H95-V99 PolarHBondContact O-N 3.28Å; H95-L300 WeakPolarHBondContact CD2-CD1 3.5Å; H95-L300 VanDerWaalsContact CD2-CD2 3.46Å; H95-L300 WeakPolarHBondContact CD2-CD2 3.32Å; H95-L300 WeakPolarHBondContact NE2-CD1 3.33Å; H95-L300 WeakPolarHBondContact NE2-CD2 3.4Å |
| 96 | F | 78.8 | Confident | 76.4 | Confident | 26 Ų | 26 | 62 Ų | 62 | 11% | 0.114 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 179 | 172.5 | -99.6 | 0 | 0 | 0 | 111.1 | L76 F77 I87 F88 I93 Y98 V99 F100 | L76-F96 HydrophobicContact CD1-CD2 4.12Å; L76-F96 HydrophobicContact CD1-CE2 4.23Å; L76-F96 HydrophobicContact CD2-CD2 4.23Å; L76-F96 HydrophobicContact CD2-CE2 3.76Å; L76-F96 HydrophobicContact CG-CD2 4.5Å; L76-F96 HydrophobicContact CG-CE2 4.11Å; F77-F96 HydrophobicContact CE1-CE2 4.38Å; F77-F96 HydrophobicContact CE1-CZ 4.32Å; F77-F96 HydrophobicContact CZ-CE2 4.49Å; F77-F96 HydrophobicContact CZ-CZ 4.29Å; I87-F96 HydrophobicContact CG2-CD2 3.31Å; I87-F96 HydrophobicContact CG2-CE2 3.62Å; I87-F96 HydrophobicContact CG2-CG 4.23Å; F88-F96 HydrophobicContact CD1-CB 4.07Å; F88-F96 HydrophobicContact CD1-CG 4.47Å; F88-F96 HydrophobicContact CE1-CB 3.64Å; F88-F96 AromaticContact CE1-CD1 3.8Å; F88-F96 HydrophobicContact CE1-CD1 3.8Å; F88-F96 HydrophobicContact CE1-CD2 4.3Å; F88-F96 AromaticContact CE1-CG 3.63Å; F88-F96 HydrophobicContact CE1-CG 3.63Å; F88-F96 HydrophobicContact CZ-CB 4.36Å; F88-F96 AromaticContact CZ-CD1 3.94Å; F88-F96 HydrophobicContact CZ-CD1 3.94Å; F88-F96 HydrophobicContact CZ-CD2 4.2Å; F88-F96 HydrophobicContact CZ-CE1 4.28Å; F88-F96 HydrophobicContact CZ-CE2 4.5Å; F88-F96 AromaticContact CZ-CG 3.89Å; F88-F96 HydrophobicContact CZ-CG 3.89Å; I93-F96 PolarHBondContact O-N 3.25Å; F96-Y98 VanDerWaalsContact C-N 3.29Å; F96-Y98 PolarHBondContact O-N 3.5Å; F96-V99 PolarHBondContact O-N 2.8Å; F96-F100 HydrophobicContact CE1-CB 4.38Å; F96-F100 HydrophobicContact CZ-CB 4.39Å; F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.15Å; F96-F100 PolarHBondContact O-N 3.44Å |
| 97 | F | 82.2 | Confident | 77.7 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.7 | -36.3 | -179.9 | -72.4 | -68.5 | 0 | 0 | 0 | 112.6 | I93 C94 H95 G101 | I93-F97 HydrophobicContact CG2-CD2 3.81Å; I93-F97 HydrophobicContact CG2-CE2 3.45Å; I93-F97 VanDerWaalsContact CG2-CE2 3.45Å; I93-F97 WeakPolarHBondContact O-CD2 3.27Å; C94-F97 PolarHBondContact O-N 3.48Å; H95-F97 PolarHBondContact O-N 3.26Å; F97-G101 WeakPolarHBondContact O-CA 3.36Å; F97-G101 PolarHBondContact O-N 3.02Å |
| 98 | Y | 82.1 | Confident | 79.1 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 35% | 0.353 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 174.8 | -177.9 | -97.8 | 0 | 0 | 0 | 112.2 | C94 H95 F96 G101 R102 | C94-Y98 WeakPolarHBondContact O-CB 3.47Å; C94-Y98 PolarHBondContact O-N 2.88Å; H95-Y98 PolarHBondContact O-N 3.5Å; F96-Y98 VanDerWaalsContact C-N 3.29Å; F96-Y98 PolarHBondContact O-N 3.5Å; Y98-G101 PolarHBondContact O-N 3.4Å; Y98-R102 PolarHBondContact O-N 3.48Å; Y98-R102 VanDerWaalsContact OH-CZ 3.27Å; Y98-R102 PolarHBondContact OH-NE 3.06Å; Y98-R102 VanDerWaalsContact OH-NE 3.1Å; Y98-R102 PolarHBondContact OH-NH2 2.98Å |
| 99 | V | 81 | Confident | 80.3 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 179.3 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L76 H95 F96 G101 R102 I103 L300 F302 | L76-V99 HydrophobicContact CD2-CG1 4.4Å; H95-V99 WeakPolarHBondContact O-CG2 3.42Å; H95-V99 PolarHBondContact O-N 3.28Å; F96-V99 PolarHBondContact O-N 2.8Å; V99-G101 VanDerWaalsContact C-N 3.34Å; V99-G101 PolarHBondContact O-N 3.1Å; V99-R102 PolarHBondContact O-N 2.81Å; V99-I103 HydrophobicContact CG1-CD1 4.08Å; V99-I103 WeakPolarHBondContact O-CG1 3.43Å; V99-I103 PolarHBondContact O-N 3.43Å; V99-L300 HydrophobicContact CG2-CD2 4Å; V99-F302 HydrophobicContact CG2-CD2 4.35Å; V99-F302 HydrophobicContact CG2-CE2 3.73Å |
| 100 | F | 86.3 | Confident | 81.6 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.1 | -176.1 | -102 | 0 | 0 | 0 | 112.1 | Y67 F77 F96 R102 I103 T104 | Y67-F100 HydrophobicContact CE1-CE2 4.39Å; F77-F100 HydrophobicContact CE2-CD2 4.46Å; F77-F100 HydrophobicContact CE2-CE2 4.38Å; F77-F100 HydrophobicContact CZ-CD2 4.25Å; F77-F100 HydrophobicContact CZ-CE2 4.22Å; F96-F100 HydrophobicContact CE1-CB 4.38Å; F96-F100 HydrophobicContact CZ-CB 4.39Å; F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.15Å; F96-F100 PolarHBondContact O-N 3.44Å; F100-R102 PolarHBondContact O-N 3.03Å; F100-I103 PolarHBondContact O-N 3.24Å; F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.42Å; F100-T104 PolarHBondContact O-OG1 3.38Å |
| 101 | G | 87.3 | Confident | 83.2 | Confident | 28 Ų | 28 | 52 Ų | 52 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F97 Y98 V99 I103 T104 L105 | F97-G101 WeakPolarHBondContact O-CA 3.36Å; F97-G101 PolarHBondContact O-N 3.02Å; Y98-G101 PolarHBondContact O-N 3.4Å; V99-G101 VanDerWaalsContact C-N 3.34Å; V99-G101 PolarHBondContact O-N 3.1Å; G101-I103 PolarHBondContact O-N 3.4Å; G101-T104 PolarHBondContact O-N 3.48Å; G101-L105 WeakPolarHBondContact O-CG 3.38Å; G101-L105 PolarHBondContact O-N 3.38Å |
| 102 | R | 83.9 | Confident | 84.9 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.5 | -79.7 | -174.1 | 167 | -146 | 4.6 | 113.4 | Y98 V99 F100 T104 N106 F302 | Y98-R102 PolarHBondContact O-N 3.48Å; Y98-R102 VanDerWaalsContact OH-CZ 3.27Å; Y98-R102 PolarHBondContact OH-NE 3.06Å; Y98-R102 VanDerWaalsContact OH-NE 3.1Å; Y98-R102 PolarHBondContact OH-NH2 2.98Å; V99-R102 PolarHBondContact O-N 2.81Å; F100-R102 PolarHBondContact O-N 3.03Å; R102-T104 VanDerWaalsContact C-N 3.3Å; R102-N106 PolarHBondContact O-N 2.95Å; R102-N106 PolarHBondContact O-ND2 2.84Å; R102-F302 PolarHBondContact NH1-O 3.32Å |
| 103 | I | 88.6 | Confident | 86.3 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.9 | -69.9 | 169 | 0 | 0 | 0 | 109.7 | Y67 K72 T73 L76 V99 F100 G101 N106 A107 | Y67-I103 HydrophobicContact CD1-CG2 4.02Å; Y67-I103 HydrophobicContact CE1-CG2 4.02Å; K72-I103 HydrophobicContact CB-CD1 4.07Å; K72-I103 HydrophobicContact CB-CG1 4.09Å; T73-I103 WeakPolarHBondContact OG1-CG2 3.38Å; L76-I103 HydrophobicContact CD2-CD1 3.95Å; V99-I103 HydrophobicContact CG1-CD1 4.08Å; V99-I103 WeakPolarHBondContact O-CG1 3.43Å; V99-I103 PolarHBondContact O-N 3.43Å; F100-I103 PolarHBondContact O-N 3.24Å; G101-I103 PolarHBondContact O-N 3.4Å; I103-N106 PolarHBondContact O-N 3.24Å; I103-A107 PolarHBondContact O-N 3.44Å; I103-A107 VanDerWaalsContact O-N 3.1Å |
| 104 | T | 91.2 | Very high | 87.5 | Confident | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.172 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | Y67 F100 G101 R102 N106 A107 L108 | Y67-T104 WeakPolarHBondContact OH-CB 3.1Å; Y67-T104 WeakPolarHBondContact OH-CG2 3.28Å; Y67-T104 PolarHBondContact OH-OG1 2.83Å; F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.42Å; F100-T104 PolarHBondContact O-OG1 3.38Å; G101-T104 PolarHBondContact O-N 3.48Å; R102-T104 VanDerWaalsContact C-N 3.3Å; T104-N106 VanDerWaalsContact C-N 3.26Å; T104-N106 PolarHBondContact O-N 3Å; T104-A107 CarbonylContact O-C 3.35Å; T104-A107 PolarHBondContact O-N 2.96Å; T104-L108 HydrophobicContact CG2-CD1 4.05Å; T104-L108 HydrophobicContact CG2-CG 4.24Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.41Å |
| 105 | L | 89.6 | Confident | 88.6 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -39.4 | 175.6 | -74.1 | 172.2 | 0 | 0 | 0 | 112.3 | G101 | G101-L105 WeakPolarHBondContact O-CG 3.38Å; G101-L105 PolarHBondContact O-N 3.38Å |
| 106 | N | 87.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.3 | -35.4 | 175.4 | -72.6 | -62.3 | 0 | 0 | 0 | 112.6 | R102 I103 T104 L108 V109 | R102-N106 PolarHBondContact O-N 2.95Å; R102-N106 PolarHBondContact O-ND2 2.84Å; I103-N106 PolarHBondContact O-N 3.24Å; T104-N106 VanDerWaalsContact C-N 3.26Å; T104-N106 PolarHBondContact O-N 3Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-V109 WeakPolarHBondContact O-CG2 3.45Å |
| 107 | A | 92.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.2 | -24.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L63 Y67 I103 T104 V109 P111 | L63-A107 HydrophobicContact CD1-CB 3.91Å; Y67-A107 HydrophobicContact CD1-CB 4.3Å; Y67-A107 HydrophobicContact CE1-CB 4.29Å; Y67-A107 HydrophobicContact CG-CB 4.46Å; I103-A107 PolarHBondContact O-N 3.44Å; I103-A107 VanDerWaalsContact O-N 3.1Å; T104-A107 CarbonylContact O-C 3.35Å; T104-A107 PolarHBondContact O-N 2.96Å; A107-V109 VanDerWaalsContact C-N 3.3Å; A107-V109 PolarHBondContact O-N 3.25Å; A107-P111 WeakPolarHBondContact O-CD 3.19Å |
| 108 | L | 94.3 | Very high | 91 | Very high | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12 | -180 | -76.6 | 171.7 | 0 | 0 | 0 | 114.7 | L63 T104 N106 A110 P111 V112 | L63-L108 HydrophobicContact CD1-CD2 4.02Å; L63-L108 HydrophobicContact CD1-CG 4.38Å; T104-L108 HydrophobicContact CG2-CD1 4.05Å; T104-L108 HydrophobicContact CG2-CG 4.24Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.41Å; N106-L108 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 3.19Å; L108-P111 WeakPolarHBondContact O-CD 3.34Å; L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.5Å; L108-V112 PolarHBondContact O-N 2.97Å |
| 109 | V | 91.8 | Very high | 91.7 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57 | -51.7 | -177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | Y20 N106 A107 V112 M113 | Y20-V109 HydrophobicContact CD1-CG1 4.13Å; Y20-V109 HydrophobicContact CE1-CG1 3.92Å; N106-V109 WeakPolarHBondContact O-CG2 3.45Å; A107-V109 VanDerWaalsContact C-N 3.3Å; A107-V109 PolarHBondContact O-N 3.25Å; V109-V112 PolarHBondContact O-N 3.31Å; V109-M113 HydrophobicContact CG1-CE 3.76Å; V109-M113 HydrophobicContact CG1-SD 4.49Å; V109-M113 WeakPolarHBondContact O-CG 3.44Å; V109-M113 PolarHBondContact O-N 3.1Å; V109-M113 VanDerWaalsContact O-N 3.09Å |
| 110 | A | 92.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M23 L62 L108 V112 M113 W114 | M23-A110 HydrophobicContact SD-CB 3.86Å; L62-A110 HydrophobicContact CB-CB 4.22Å; L62-A110 HydrophobicContact CD1-CB 4.44Å; L62-A110 HydrophobicContact CD2-CB 4.46Å; L108-A110 PolarHBondContact O-N 3.19Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.46Å; A110-M113 HydrophobicContact CB-CE 4.49Å; A110-M113 PolarHBondContact O-N 3.03Å; A110-W114 PolarHBondContact O-N 3.34Å |
| 111 | P | 95.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -44.5 | 172.8 | -28.9 | 33.1 | 0 | 0 | 0 | 114.2 | A59 L62 L63 A107 L108 W114 L115 | A59-P111 HydrophobicContact CB-CB 4.2Å; A59-P111 WeakPolarHBondContact O-CG 3.45Å; L62-P111 HydrophobicContact CB-CG 4.22Å; L63-P111 HydrophobicContact CB-CG 3.75Å; L63-P111 HydrophobicContact CD1-CG 4.41Å; A107-P111 WeakPolarHBondContact O-CD 3.19Å; L108-P111 WeakPolarHBondContact O-CD 3.34Å; P111-W114 PolarHBondContact O-N 3.15Å; P111-L115 WeakPolarHBondContact O-CG 3.41Å; P111-L115 PolarHBondContact O-N 2.92Å |
| 112 | V | 95.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 31 Ų | 31 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L108 V109 A110 W114 L115 S116 V186 T190 | L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.5Å; L108-V112 PolarHBondContact O-N 2.97Å; V109-V112 PolarHBondContact O-N 3.31Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.46Å; V112-W114 VanDerWaalsContact C-N 3.35Å; V112-L115 PolarHBondContact O-N 3.4Å; V112-S116 WeakPolarHBondContact O-CB 3.45Å; V112-S116 PolarHBondContact O-N 3.1Å; V112-S116 PolarHBondContact O-OG 3.01Å; V112-V186 HydrophobicContact CG1-CG1 4.05Å; V112-T190 HydrophobicContact CG1-CG2 3.83Å |
| 113 | M | 93.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 29.8 Ų | 29.8 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.1 | -74.4 | -171.6 | -62.9 | 0 | 0 | 111.6 | M23 A24 T27 V109 A110 S116 V117 | M23-M113 HydrophobicContact CB-CE 3.95Å; M23-M113 HydrophobicContact CG-CE 3.42Å; M23-M113 VanDerWaalsContact CG-CE 3.42Å; M23-M113 HydrophobicContact SD-CE 3.24Å; M23-M113 WeakPolarHBondContact SD-CE 3.49Å; A24-M113 HydrophobicContact CB-SD 4.28Å; T27-M113 HydrophobicContact CG2-CB 4.31Å; V109-M113 HydrophobicContact CG1-CE 3.76Å; V109-M113 HydrophobicContact CG1-SD 4.49Å; V109-M113 WeakPolarHBondContact O-CG 3.44Å; V109-M113 PolarHBondContact O-N 3.1Å; V109-M113 VanDerWaalsContact O-N 3.09Å; A110-M113 HydrophobicContact CB-CE 4.49Å; A110-M113 PolarHBondContact O-N 3.03Å; M113-S116 PolarHBondContact O-N 3.31Å; M113-V117 WeakPolarHBondContact O-CG2 3.34Å; M113-V117 PolarHBondContact O-N 3.34Å |
| 114 | W | 95.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.5 | -52.2 | 175.6 | 167.7 | -92.7 | 0 | 0 | 0 | 111.9 | T27 E31 F34 L55 P58 L62 A110 P111 V112 S116 V117 A118 F124 | T27-W114 VanDerWaalsContact CG2-CA 3.5Å; T27-W114 HydrophobicContact CG2-CB 4.18Å; T27-W114 HydrophobicContact CG2-CE3 4.39Å; E31-W114 HydrophobicContact CB-CE3 4.42Å; E31-W114 HydrophobicContact CB-CH2 4.29Å; E31-W114 HydrophobicContact CB-CZ3 3.83Å; E31-W114 HydrophobicContact CG-CH2 4.35Å; E31-W114 HydrophobicContact CG-CZ3 4.31Å; F34-W114 HydrophobicContact CB-CH2 4.42Å; F34-W114 AromaticContact CD2-CH2 3.92Å; F34-W114 HydrophobicContact CD2-CH2 3.92Å; F34-W114 HydrophobicContact CD2-CZ3 4.19Å; F34-W114 HydrophobicContact CG-CH2 4.46Å; L55-W114 PolarHBondContact O-NE1 2.97Å; P58-W114 HydrophobicContact CB-CD2 4.02Å; P58-W114 HydrophobicContact CB-CH2 4.18Å; P58-W114 HydrophobicContact CB-CZ2 3.66Å; P58-W114 HydrophobicContact CG-CH2 4.21Å; P58-W114 HydrophobicContact CG-CZ2 3.57Å; L62-W114 HydrophobicContact CD1-CB 3.77Å; L62-W114 HydrophobicContact CD1-CG 4.3Å; A110-W114 PolarHBondContact O-N 3.34Å; P111-W114 PolarHBondContact O-N 3.15Å; V112-W114 VanDerWaalsContact C-N 3.35Å; W114-S116 VanDerWaalsContact C-N 3.27Å; W114-S116 PolarHBondContact O-N 2.7Å; W114-V117 PolarHBondContact O-N 2.85Å; W114-A118 VanDerWaalsContact O-CB 3.32Å; W114-A118 WeakPolarHBondContact O-CB 3.35Å; W114-A118 PolarHBondContact O-N 3.43Å; W114-F124 HydrophobicContact CH2-CE2 4.23Å; W114-F124 AromaticContact CZ2-CE2 3.84Å; W114-F124 HydrophobicContact CZ2-CE2 3.84Å |
| 115 | L | 96.4 | Very high | 93.8 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | -179.9 | -71.1 | 173.2 | 0 | 0 | 0 | 111.7 | L55 F56 A59 P111 V112 L119 | L55-L115 HydrophobicContact CD1-CD2 3.96Å; L55-L115 HydrophobicContact CG-CD2 3.9Å; F56-L115 HydrophobicContact CD1-CD2 3.96Å; F56-L115 HydrophobicContact CE1-CD1 4.47Å; F56-L115 HydrophobicContact CE1-CD2 4.01Å; A59-L115 HydrophobicContact CB-CD2 4.29Å; A59-L115 HydrophobicContact CB-CG 4.19Å; P111-L115 WeakPolarHBondContact O-CG 3.41Å; P111-L115 PolarHBondContact O-N 2.92Å; V112-L115 PolarHBondContact O-N 3.4Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 WeakPolarHBondContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.02Å |
| 116 | S | 95.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V112 M113 W114 L120 | V112-S116 WeakPolarHBondContact O-CB 3.45Å; V112-S116 PolarHBondContact O-N 3.1Å; V112-S116 PolarHBondContact O-OG 3.01Å; M113-S116 PolarHBondContact O-N 3.31Å; W114-S116 VanDerWaalsContact C-N 3.27Å; W114-S116 PolarHBondContact O-N 2.7Å; S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 VanDerWaalsContact O-CG 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 2.99Å |
| 117 | V | 95.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 23.3 Ų | 23.3 | 17% | 0.17 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | T27 V28 E31 M113 W114 L119 L120 N121 | T27-V117 HydrophobicContact CG2-CB 4.29Å; T27-V117 HydrophobicContact CG2-CG2 4Å; V28-V117 HydrophobicContact CG2-CG1 4.16Å; V28-V117 HydrophobicContact CG2-CG2 3.91Å; E31-V117 HydrophobicContact CB-CG1 3.66Å; E31-V117 HydrophobicContact CG-CG1 3.81Å; M113-V117 WeakPolarHBondContact O-CG2 3.34Å; M113-V117 PolarHBondContact O-N 3.34Å; W114-V117 PolarHBondContact O-N 2.85Å; V117-L119 PolarHBondContact O-N 2.86Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-N121 PolarHBondContact O-N 3.01Å |
| 118 | A | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E31 L55 W114 N121 G122 F124 | E31-A118 HydrophobicContact CG-CB 4.34Å; L55-A118 HydrophobicContact CD1-CB 3.72Å; W114-A118 VanDerWaalsContact O-CB 3.32Å; W114-A118 WeakPolarHBondContact O-CB 3.35Å; W114-A118 PolarHBondContact O-N 3.43Å; A118-N121 PolarHBondContact O-N 3.24Å; A118-G122 PolarHBondContact O-N 3.27Å; A118-F124 HydrophobicContact CB-CD2 3.94Å; A118-F124 HydrophobicContact CB-CE2 4.17Å |
| 119 | L | 96.1 | Very high | 94.5 | Very high | 17 Ų | 17 | 21 Ų | 21 | 9% | 0.089 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -36.6 | 175.9 | -73.7 | 170.4 | 0 | 0 | 0 | 112.4 | L55 L115 V117 G122 Y125 S179 V186 | L55-L119 HydrophobicContact CD1-CG 4.48Å; L55-L119 HydrophobicContact CD2-CD2 4.47Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 WeakPolarHBondContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.02Å; V117-L119 PolarHBondContact O-N 2.86Å; L119-G122 PolarHBondContact O-N 3.29Å; L119-Y125 HydrophobicContact CD2-CD2 4.06Å; L119-S179 WeakPolarHBondContact CA-OG 3.35Å; L119-S179 CarbonylContact O-C 3.53Å; L119-S179 WeakPolarHBondContact O-CB 3.22Å; L119-S179 PolarHBondContact O-OG 3.03Å; L119-V186 HydrophobicContact CD1-CG2 4.17Å |
| 120 | L | 94.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 19.1 Ų | 19.1 | 27% | 0.267 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 175.8 | -73.4 | 175.4 | 0 | 0 | 0 | 112.6 | S116 V117 Q180 W184 I187 | S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 VanDerWaalsContact O-CG 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 2.99Å; V117-L120 PolarHBondContact O-N 3.48Å; L120-Q180 WeakPolarHBondContact O-CG 3.3Å; L120-Q180 PolarHBondContact O-NE2 3.37Å; L120-W184 HydrophobicContact CD2-CD2 4.42Å; L120-W184 HydrophobicContact CD2-CG 4.28Å; L120-I187 HydrophobicContact CD1-CD1 3.88Å |
| 121 | N | 93.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | 171.9 | -169.5 | 41.1 | 0 | 0 | 0 | 111.3 | E31 R32 V117 A118 T123 | E31-N121 VanDerWaalsContact OE1-CB 3.32Å; E31-N121 WeakPolarHBondContact OE1-CB 3.46Å; E31-N121 PolarHBondContact OE1-ND2 3.41Å; R32-N121 PolarHBondContact NH1-OD1 2.87Å; V117-N121 PolarHBondContact O-N 3.01Å; A118-N121 PolarHBondContact O-N 3.24Å; N121-T123 VanDerWaalsContact C-N 3.3Å; N121-T123 PolarHBondContact ND2-OG1 3.37Å; N121-T123 PolarHBondContact O-N 3.08Å |
| 122 | G | 92.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | 83.9 | -11.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A118 L119 F124 Y125 E126 S179 | A118-G122 PolarHBondContact O-N 3.27Å; L119-G122 PolarHBondContact O-N 3.29Å; G122-F124 PolarHBondContact O-N 3.38Å; G122-Y125 PolarHBondContact O-N 3.47Å; G122-E126 WeakPolarHBondContact O-CB 3.07Å; G122-E126 PolarHBondContact O-N 3.29Å; G122-S179 WeakPolarHBondContact CA-OG 3.32Å | ||
| 123 | T | 92.9 | Very high | 94 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 26% | 0.258 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.6 | -41.1 | -176.5 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | N121 C127 | N121-T123 VanDerWaalsContact C-N 3.3Å; N121-T123 PolarHBondContact ND2-OG1 3.37Å; N121-T123 PolarHBondContact O-N 3.08Å; T123-C127 PolarHBondContact O-N 3.13Å |
| 124 | F | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 178.3 | -55.2 | -24.9 | 0 | 0 | 0 | 112 | F34 F39 F54 L55 W114 A118 G122 A128 | F34-F124 HydrophobicContact CB-CZ 4.49Å; F39-F124 HydrophobicContact CB-CD1 4.5Å; F39-F124 HydrophobicContact CB-CE1 3.77Å; F39-F124 AromaticContact CD1-CD1 3.91Å; F39-F124 HydrophobicContact CD1-CD1 3.91Å; F39-F124 AromaticContact CD1-CE1 3.97Å; F39-F124 HydrophobicContact CD1-CE1 3.97Å; F39-F124 AromaticContact CD2-CD1 3.49Å; F39-F124 HydrophobicContact CD2-CD1 3.49Å; F39-F124 VanDerWaalsContact CD2-CD1 3.49Å; F39-F124 AromaticContact CD2-CE1 3.5Å; F39-F124 HydrophobicContact CD2-CE1 3.5Å; F39-F124 VanDerWaalsContact CD2-CE1 3.5Å; F39-F124 AromaticContact CE1-CD1 3.9Å; F39-F124 HydrophobicContact CE1-CD1 3.9Å; F39-F124 HydrophobicContact CE1-CE1 4.42Å; F39-F124 AromaticContact CE2-CD1 3.47Å; F39-F124 HydrophobicContact CE2-CD1 3.47Å; F39-F124 VanDerWaalsContact CE2-CD1 3.47Å; F39-F124 HydrophobicContact CE2-CE1 4Å; F39-F124 HydrophobicContact CE2-CG 4.42Å; F39-F124 AromaticContact CG-CD1 3.71Å; F39-F124 HydrophobicContact CG-CD1 3.71Å; F39-F124 AromaticContact CG-CE1 3.47Å; F39-F124 HydrophobicContact CG-CE1 3.47Å; F39-F124 VanDerWaalsContact CG-CE1 3.47Å; F39-F124 AromaticContact CZ-CD1 3.68Å; F39-F124 HydrophobicContact CZ-CD1 3.68Å; F39-F124 HydrophobicContact CZ-CE1 4.43Å; F54-F124 HydrophobicContact CB-CD1 4.08Å; F54-F124 HydrophobicContact CB-CD2 4.32Å; F54-F124 HydrophobicContact CB-CE1 4.22Å; F54-F124 HydrophobicContact CB-CE2 4.47Å; F54-F124 HydrophobicContact CB-CG 4.15Å; F54-F124 HydrophobicContact CB-CZ 4.42Å; F54-F124 HydrophobicContact CD1-CE1 4.43Å; L55-F124 HydrophobicContact CB-CB 4.45Å; L55-F124 HydrophobicContact CD1-CD2 4.5Å; W114-F124 HydrophobicContact CH2-CE2 4.23Å; W114-F124 AromaticContact CZ2-CE2 3.84Å; W114-F124 HydrophobicContact CZ2-CE2 3.84Å; A118-F124 HydrophobicContact CB-CD2 3.94Å; A118-F124 HydrophobicContact CB-CE2 4.17Å; G122-F124 PolarHBondContact O-N 3.38Å; F124-A128 WeakPolarHBondContact O-CB 3.42Å; F124-A128 PolarHBondContact O-N 2.85Å |
| 125 | Y | 95.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.3 | -46.5 | 178 | -178.9 | -88.3 | 0 | 0 | 0 | 111.4 | L119 G122 C127 A128 M129 Q178 S179 L182 | L119-Y125 HydrophobicContact CD2-CD2 4.06Å; G122-Y125 PolarHBondContact O-N 3.47Å; Y125-C127 VanDerWaalsContact C-N 3.3Å; Y125-C127 PolarHBondContact O-N 3.13Å; Y125-A128 PolarHBondContact O-N 2.98Å; Y125-M129 HydrophobicContact CD1-CB 4.47Å; Y125-M129 HydrophobicContact CD1-CG 3.84Å; Y125-M129 HydrophobicContact CD2-CG 4.04Å; Y125-M129 HydrophobicContact CE1-CB 4.23Å; Y125-M129 HydrophobicContact CE1-CG 3.48Å; Y125-M129 VanDerWaalsContact CE1-CG 3.48Å; Y125-M129 HydrophobicContact CE2-CG 3.67Å; Y125-M129 HydrophobicContact CE2-SD 4.19Å; Y125-M129 HydrophobicContact CG-CG 4.13Å; Y125-M129 WeakPolarHBondContact O-CB 3.42Å; Y125-M129 WeakPolarHBondContact O-CG 3.4Å; Y125-M129 PolarHBondContact O-N 2.72Å; Y125-Q178 HydrophobicContact CE1-CB 3.91Å; Y125-S179 WeakPolarHBondContact CB-OG 3.34Å; Y125-S179 VanDerWaalsContact CD1-CB 3.48Å; Y125-L182 HydrophobicContact CD2-CD1 4.28Å; Y125-L182 HydrophobicContact CE2-CD1 3.41Å; Y125-L182 VanDerWaalsContact CE2-CD1 3.41Å |
| 126 | E | 94.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53 | -50 | 175.1 | -179 | -168 | 156.4 | 0 | 0 | 110.6 | G122 S130 A157 L175 | G122-E126 WeakPolarHBondContact O-CB 3.07Å; G122-E126 PolarHBondContact O-N 3.29Å; E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.29Å; E126-S130 PolarHBondContact O-N 2.78Å; E126-S130 PolarHBondContact O-OG 3.35Å; E126-A157 HydrophobicContact CG-CB 4.27Å; E126-A157 WeakPolarHBondContact OE1-CA 3.18Å; E126-L175 HydrophobicContact CB-CB 4.45Å; E126-L175 HydrophobicContact CG-CB 4.19Å; E126-L175 HydrophobicContact CG-CD1 4.12Å |
| 127 | C | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | F39 C41 N47 T123 Y125 M129 S130 | F39-C127 HydrophobicContact CE1-CB 4.12Å; F39-C127 HydrophobicContact CZ-CB 3.55Å; C41-C127 VanDerWaalsContact CA-SG 3.56Å; C41-C127 HydrophobicContact CB-CB 3.72Å; C41-C127 WeakPolarHBondContact CB-SG 3.3Å; C41-C127 WeakPolarHBondContact SG-CA 2.86Å; C41-C127 WeakPolarHBondContact SG-CB 3.24Å; C41-C127 CovalentContact SG-SG 2.04Å; C41-C127 PolarHBondContact SG-SG 3.49Å; N47-C127 WeakPolarHBondContact CB-O 3.41Å; T123-C127 PolarHBondContact O-N 3.13Å; Y125-C127 VanDerWaalsContact C-N 3.3Å; Y125-C127 PolarHBondContact O-N 3.13Å; C127-M129 PolarHBondContact O-N 3.2Å; C127-S130 PolarHBondContact O-N 3.03Å; C127-S130 PolarHBondContact O-OG 3.01Å |
| 128 | A | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F48 L52 F124 Y125 G131 | F48-A128 VanDerWaalsContact CA-O 3.3Å; F48-A128 WeakPolarHBondContact CA-O 3.3Å; F48-A128 WeakPolarHBondContact CD2-O 3.41Å; L52-A128 HydrophobicContact CD2-CB 4.25Å; L52-A128 HydrophobicContact CG-CB 4.34Å; F124-A128 WeakPolarHBondContact O-CB 3.42Å; F124-A128 PolarHBondContact O-N 2.85Å; Y125-A128 PolarHBondContact O-N 2.98Å; A128-G131 PolarHBondContact O-N 3.37Å |
| 129 | M | 94.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.9 | -29.1 | -175.6 | -69.2 | -56.8 | 82.5 | 0 | 0 | 113.6 | F48 Y125 C127 G131 L132 Y137 L175 | F48-M129 HydrophobicContact CD2-CE 3.73Å; F48-M129 HydrophobicContact CE2-CE 3.58Å; Y125-M129 HydrophobicContact CD1-CB 4.47Å; Y125-M129 HydrophobicContact CD1-CG 3.84Å; Y125-M129 HydrophobicContact CD2-CG 4.04Å; Y125-M129 HydrophobicContact CE1-CB 4.23Å; Y125-M129 HydrophobicContact CE1-CG 3.48Å; Y125-M129 VanDerWaalsContact CE1-CG 3.48Å; Y125-M129 HydrophobicContact CE2-CG 3.67Å; Y125-M129 HydrophobicContact CE2-SD 4.19Å; Y125-M129 HydrophobicContact CG-CG 4.13Å; Y125-M129 WeakPolarHBondContact O-CB 3.42Å; Y125-M129 WeakPolarHBondContact O-CG 3.4Å; Y125-M129 PolarHBondContact O-N 2.72Å; C127-M129 PolarHBondContact O-N 3.2Å; M129-G131 PolarHBondContact O-N 3.41Å; M129-L132 HydrophobicContact CE-CB 4.23Å; M129-L132 HydrophobicContact CE-CD2 4.05Å; M129-L132 WeakPolarHBondContact O-CB 3.33Å; M129-L132 PolarHBondContact O-N 3.02Å; M129-L132 VanDerWaalsContact O-N 3.12Å; M129-L132 HydrophobicContact SD-CD2 3.89Å; M129-Y137 WeakPolarHBondContact CB-OH 3.28Å; M129-L175 HydrophobicContact CB-CD2 4.1Å |
| 130 | S | 92.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -30.3 | 171.4 | 75.2 | 0 | 0 | 0 | 0 | 112.9 | N47 E126 C127 L153 H154 | N47-S130 PolarHBondContact ND2-OG 3.48Å; E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.29Å; E126-S130 PolarHBondContact O-N 2.78Å; E126-S130 PolarHBondContact O-OG 3.35Å; C127-S130 PolarHBondContact O-N 3.03Å; C127-S130 PolarHBondContact O-OG 3.01Å; S130-L153 WeakPolarHBondContact CB-O 3.46Å; S130-L153 CarbonylContact O-C 3.5Å; S130-H154 WeakPolarHBondContact O-CA 3.38Å; S130-H154 WeakPolarHBondContact O-CB 3.46Å; S130-H154 PolarHBondContact O-N 3.41Å; S130-H154 VanDerWaalsContact O-N 3.08Å |
| 131 | G | 91.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A128 M129 K133 | A128-G131 PolarHBondContact O-N 3.37Å; M129-G131 PolarHBondContact O-N 3.41Å; G131-K133 PolarHBondContact O-N 3.43Å |
| 132 | L | 91.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | trans | -77.7 | 111.4 | -174.3 | -177.9 | 60.3 | 0 | 0 | 0 | 111.5 | F48 M129 N134 Y137 | F48-L132 HydrophobicContact CD2-CB 4.34Å; F48-L132 HydrophobicContact CD2-CD1 4Å; F48-L132 HydrophobicContact CE2-CD1 3.77Å; F48-L132 HydrophobicContact CZ-CD1 4.25Å; M129-L132 HydrophobicContact CE-CB 4.23Å; M129-L132 HydrophobicContact CE-CD2 4.05Å; M129-L132 WeakPolarHBondContact O-CB 3.33Å; M129-L132 PolarHBondContact O-N 3.02Å; M129-L132 VanDerWaalsContact O-N 3.12Å; M129-L132 HydrophobicContact SD-CD2 3.89Å; L132-N134 VanDerWaalsContact C-N 3.3Å; L132-N134 HydrophobicContact CD1-CB 4.39Å; L132-N134 HydrophobicContact CD2-CB 4.42Å; L132-N134 HydrophobicContact CG-CB 4.08Å; L132-N134 PolarHBondContact O-N 3.26Å; L132-N134 VanDerWaalsContact O-N 3.13Å; L132-Y137 HydrophobicContact CB-CD1 4.05Å; L132-Y137 HydrophobicContact CB-CE1 4.09Å; L132-Y137 HydrophobicContact CD2-CD1 3.73Å; L132-Y137 HydrophobicContact CD2-CD2 4.23Å; L132-Y137 HydrophobicContact CD2-CE1 4.16Å; L132-Y137 HydrophobicContact CD2-CG 3.77Å; L132-Y137 HydrophobicContact CG-CD1 4.05Å; L132-Y137 HydrophobicContact CG-CG 4.48Å | ||
| 133 | K | 87.8 | Confident | 92 | Very high | 146 Ų | 146 | 45.9 Ų | 45.9 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | trans | -88.7 | 60.2 | 178 | -61.4 | -173.2 | 179.1 | -170.7 | 0 | 112.1 | N45 G131 | N45-K133 WeakPolarHBondContact OD1-CE 3.44Å; N45-K133 PolarHBondContact OD1-NZ 3.17Å; G131-K133 PolarHBondContact O-N 3.43Å | ||
| 134 | N | 90.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 49 Ų | 49 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | trans | -113.1 | 121.6 | 173.2 | 180 | -44.7 | 0 | 0 | 0 | 109.3 | L132 A136 Y137 L138 | L132-N134 VanDerWaalsContact C-N 3.3Å; L132-N134 HydrophobicContact CD1-CB 4.39Å; L132-N134 HydrophobicContact CD2-CB 4.42Å; L132-N134 HydrophobicContact CG-CB 4.08Å; L132-N134 PolarHBondContact O-N 3.26Å; L132-N134 VanDerWaalsContact O-N 3.13Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.01Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 3.45Å; N134-Y137 PolarHBondContact O-N 3.33Å; N134-Y137 PolarHBondContact OD1-N 2.89Å; N134-L138 WeakPolarHBondContact O-CB 3.31Å; N134-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 PolarHBondContact O-N 2.85Å | ||
| 135 | P | 89.4 | Confident | 91.3 | Very high | 107 Ų | 107 | 51.2 Ų | 51.2 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | -174 | 24.5 | -33.6 | 0 | 0 | 0 | 113.1 | H139 | P135-H139 WeakPolarHBondContact O-CB 3.25Å; P135-H139 PolarHBondContact O-N 3.28Å |
| 136 | A | 91.4 | Very high | 91 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 60% | 0.595 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N134 A140 | N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.01Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 3.45Å; A136-A140 PolarHBondContact O-N 3.15Å; A136-A140 VanDerWaalsContact O-N 3.12Å |
| 137 | Y | 91 | Very high | 90.8 | Very high | 36 Ų | 36 | 57 Ų | 57 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 175.3 | 172.6 | -101.8 | 0 | 0 | 0 | 111.9 | M129 L132 N134 H139 A140 V141 L153 L175 | M129-Y137 WeakPolarHBondContact CB-OH 3.28Å; L132-Y137 HydrophobicContact CB-CD1 4.05Å; L132-Y137 HydrophobicContact CB-CE1 4.09Å; L132-Y137 HydrophobicContact CD2-CD1 3.73Å; L132-Y137 HydrophobicContact CD2-CD2 4.23Å; L132-Y137 HydrophobicContact CD2-CE1 4.16Å; L132-Y137 HydrophobicContact CD2-CG 3.77Å; L132-Y137 HydrophobicContact CG-CD1 4.05Å; L132-Y137 HydrophobicContact CG-CG 4.48Å; N134-Y137 PolarHBondContact O-N 3.33Å; N134-Y137 PolarHBondContact OD1-N 2.89Å; Y137-H139 VanDerWaalsContact C-N 3.31Å; Y137-H139 PolarHBondContact O-N 2.99Å; Y137-A140 WeakPolarHBondContact O-CB 3.4Å; Y137-A140 PolarHBondContact O-N 3.36Å; Y137-A140 VanDerWaalsContact O-N 3.1Å; Y137-V141 HydrophobicContact CD2-CG2 4.11Å; Y137-V141 HydrophobicContact CE1-CG2 4.09Å; Y137-V141 HydrophobicContact CE2-CG2 3.54Å; Y137-V141 PolarHBondContact O-N 3.36Å; Y137-L153 HydrophobicContact CE1-CD2 4.29Å; Y137-L175 WeakPolarHBondContact OH-CD2 3.46Å |
| 138 | L | 90.8 | Very high | 90.5 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.5 | -73.1 | 169.5 | 0 | 0 | 0 | 111 | N134 A140 V141 C142 F150 L153 | N134-L138 WeakPolarHBondContact O-CB 3.31Å; N134-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 PolarHBondContact O-N 2.85Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 3.21Å; L138-V141 PolarHBondContact O-N 2.87Å; L138-C142 WeakPolarHBondContact O-CA 3.39Å; L138-C142 WeakPolarHBondContact O-CB 3.38Å; L138-C142 PolarHBondContact O-N 3.36Å; L138-F150 HydrophobicContact CB-CD1 4.16Å; L138-F150 HydrophobicContact CB-CE1 4.39Å; L138-L153 HydrophobicContact CD2-CD2 3.59Å |
| 139 | H | 91.3 | Very high | 90.2 | Very high | 120 Ų | 120 | 61.5 Ų | 61.5 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 176.1 | -170.1 | -75.4 | 0 | 0 | 0 | 112.7 | P135 Y137 H143 | P135-H139 WeakPolarHBondContact O-CB 3.25Å; P135-H139 PolarHBondContact O-N 3.28Å; Y137-H139 VanDerWaalsContact C-N 3.31Å; Y137-H139 PolarHBondContact O-N 2.99Å; H139-H143 WeakPolarHBondContact O-CB 3.38Å; H139-H143 PolarHBondContact O-N 3.42Å |
| 140 | A | 91.2 | Very high | 90 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.8 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A136 Y137 L138 | A136-A140 PolarHBondContact O-N 3.15Å; A136-A140 VanDerWaalsContact O-N 3.12Å; Y137-A140 WeakPolarHBondContact O-CB 3.4Å; Y137-A140 PolarHBondContact O-N 3.36Å; Y137-A140 VanDerWaalsContact O-N 3.1Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 3.21Å |
| 141 | V | 90.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 72 Ų | 72 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -80.7 | -40.2 | -177.4 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | Y137 L138 H143 L153 L171 | Y137-V141 HydrophobicContact CD2-CG2 4.11Å; Y137-V141 HydrophobicContact CE1-CG2 4.09Å; Y137-V141 HydrophobicContact CE2-CG2 3.54Å; Y137-V141 PolarHBondContact O-N 3.36Å; L138-V141 PolarHBondContact O-N 2.87Å; V141-H143 PolarHBondContact O-N 2.97Å; V141-L153 HydrophobicContact CG1-CD1 4.42Å; V141-L171 HydrophobicContact CG1-CD2 3.71Å |
| 142 | C | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -87.6 | 13.7 | 177 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | L138 S144 K145 C149 F150 | L138-C142 WeakPolarHBondContact O-CA 3.39Å; L138-C142 WeakPolarHBondContact O-CB 3.38Å; L138-C142 PolarHBondContact O-N 3.36Å; C142-S144 PolarHBondContact O-N 3.5Å; C142-K145 HydrophobicContact CB-CB 4.38Å; C142-K145 WeakPolarHBondContact O-CB 3.45Å; C142-K145 PolarHBondContact O-N 3.2Å; C142-C149 VanDerWaalsContact CA-SG 3.5Å; C142-C149 HydrophobicContact CB-CB 3.65Å; C142-C149 WeakPolarHBondContact CB-SG 3.45Å; C142-C149 WeakPolarHBondContact SG-CB 3.35Å; C142-C149 CovalentContact SG-SG 2.04Å; C142-C149 PolarHBondContact SG-SG 3.45Å; C142-F150 HydrophobicContact CB-CD1 4.42Å; C142-F150 HydrophobicContact CB-CD2 4.24Å; C142-F150 HydrophobicContact CB-CE1 4.08Å; C142-F150 HydrophobicContact CB-CE2 3.88Å; C142-F150 HydrophobicContact CB-CZ 3.8Å |
| 143 | H | 88.8 | Confident | 89.6 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 56% | 0.56 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.2 | 175.8 | -178 | -86.4 | 0 | 0 | 0 | 109.7 | H139 V141 K145 | H139-H143 WeakPolarHBondContact O-CB 3.38Å; H139-H143 PolarHBondContact O-N 3.42Å; V141-H143 PolarHBondContact O-N 2.97Å; H143-K145 PolarHBondContact O-N 3.49Å; H143-K145 VanDerWaalsContact O-N 3.16Å |
| 144 | S | 84.6 | Confident | 89.7 | Confident | 107 Ų | 107 | 65.3 Ų | 65.3 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.1 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | C142 | C142-S144 PolarHBondContact O-N 3.5Š|
| 145 | K | 88.7 | Confident | 89.7 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -100.6 | 171.8 | 173.5 | -56.1 | -53.2 | 178.9 | -166.4 | 0 | 111 | C142 H143 C149 E167 E170 | C142-K145 HydrophobicContact CB-CB 4.38Å; C142-K145 WeakPolarHBondContact O-CB 3.45Å; C142-K145 PolarHBondContact O-N 3.2Å; H143-K145 PolarHBondContact O-N 3.49Å; H143-K145 VanDerWaalsContact O-N 3.16Å; K145-C149 HydrophobicContact CB-CB 3.87Å; K145-E167 HydrophobicContact CD-CG 4.32Å; K145-E170 IonicContact NZ-OE1 2.67Å; K145-E170 PolarHBondContact NZ-OE1 3.22Å; K145-E170 IonicContact NZ-OE2 3.84Å; K145-E170 PolarHBondContact NZ-OE2 3.27Å |
| 146 | S | 88.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | trans | -64.8 | 155 | 175.5 | 66 | 0 | 0 | 0 | 0 | 111.5 | K148 C149 E167 | S146-K148 PolarHBondContact O-N 2.92Å; S146-K148 VanDerWaalsContact O-N 3.07Å; S146-C149 WeakPolarHBondContact O-CB 3.13Å; S146-C149 PolarHBondContact O-N 2.91Å; S146-E167 VanDerWaalsContact CB-OE1 3.23Å; S146-E167 WeakPolarHBondContact CB-OE1 3.39Å; S146-E167 PolarHBondContact N-OE1 3.28Å; S146-E167 PolarHBondContact OG-OE1 3.23Å; S146-E167 PolarHBondContact OG-OE2 3.15Å | ||
| 147 | D | 88.4 | Confident | 89.6 | Confident | 138 Ų | 138 | 57 Ų | 57 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.5 | 175.9 | -61.9 | -35.7 | 0 | 0 | 0 | 112.1 | C149 F150 | D147-C149 PolarHBondContact O-N 2.86Å; D147-F150 PolarHBondContact O-N 3.38Å |
| 148 | K | 89.4 | Confident | 89.5 | Confident | 98 Ų | 98 | 57 Ų | 57 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -24.8 | 174.4 | -63 | -174.6 | 176.3 | -164.8 | 0 | 113.1 | S146 F150 E151 E152 T162 M163 | S146-K148 PolarHBondContact O-N 2.92Å; S146-K148 VanDerWaalsContact O-N 3.07Å; K148-F150 VanDerWaalsContact C-N 3.3Å; K148-F150 PolarHBondContact O-N 3.27Å; K148-E151 PolarHBondContact O-N 3.49Å; K148-E152 WeakPolarHBondContact O-CA 3.42Å; K148-E152 VanDerWaalsContact O-CB 3.3Å; K148-E152 WeakPolarHBondContact O-CB 3.48Å; K148-E152 PolarHBondContact O-N 3.3Å; K148-T162 PolarHBondContact NZ-O 3.43Å; K148-T162 PolarHBondContact NZ-OG1 2.84Å; K148-M163 HydrophobicContact CB-CG 3.71Å; K148-M163 HydrophobicContact CB-SD 4.32Å; K148-M163 HydrophobicContact CD-CG 4.34Å |
| 149 | C | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | C142 K145 S146 D147 E151 L153 M163 | C142-C149 VanDerWaalsContact CA-SG 3.5Å; C142-C149 HydrophobicContact CB-CB 3.65Å; C142-C149 WeakPolarHBondContact CB-SG 3.45Å; C142-C149 WeakPolarHBondContact SG-CB 3.35Å; C142-C149 CovalentContact SG-SG 2.04Å; C142-C149 PolarHBondContact SG-SG 3.45Å; K145-C149 HydrophobicContact CB-CB 3.87Å; S146-C149 WeakPolarHBondContact O-CB 3.13Å; S146-C149 PolarHBondContact O-N 2.91Å; D147-C149 PolarHBondContact O-N 2.86Å; C149-E151 VanDerWaalsContact C-N 3.28Å; C149-E151 PolarHBondContact O-N 3.01Å; C149-L153 VanDerWaalsContact O-CB 3.31Å; C149-L153 WeakPolarHBondContact O-CB 3.36Å; C149-L153 PolarHBondContact O-N 2.82Å; C149-L153 VanDerWaalsContact O-N 3.13Å; C149-M163 HydrophobicContact CB-SD 4.08Å |
| 150 | F | 89.6 | Confident | 89.1 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | -178.5 | -68 | -86.7 | 0 | 0 | 0 | 113 | L138 C142 D147 K148 | L138-F150 HydrophobicContact CB-CD1 4.16Å; L138-F150 HydrophobicContact CB-CE1 4.39Å; C142-F150 HydrophobicContact CB-CD1 4.42Å; C142-F150 HydrophobicContact CB-CD2 4.24Å; C142-F150 HydrophobicContact CB-CE1 4.08Å; C142-F150 HydrophobicContact CB-CE2 3.88Å; C142-F150 HydrophobicContact CB-CZ 3.8Å; D147-F150 PolarHBondContact O-N 3.38Å; K148-F150 VanDerWaalsContact C-N 3.3Å; K148-F150 PolarHBondContact O-N 3.27Å |
| 151 | E | 88.1 | Confident | 88.9 | Confident | 154 Ų | 154 | 57.2 Ų | 57.2 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -94.8 | -37.4 | -178.6 | -61.7 | -171.5 | 165.5 | 0 | 0 | 112.8 | K148 C149 H154 | K148-E151 PolarHBondContact O-N 3.49Å; C149-E151 VanDerWaalsContact C-N 3.28Å; C149-E151 PolarHBondContact O-N 3.01Å; E151-H154 PolarHBondContact O-CE1 2.96Å; E151-H154 PolarHBondContact O-ND1 3.43Å; E151-H154 VanDerWaalsContact O-ND1 3.1Å |
| 152 | E | 90.3 | Very high | 88.8 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -106.7 | 7.1 | -168.6 | -55.1 | -152.2 | 127.3 | 0 | 0 | 114.8 | K148 H154 K155 T162 M163 | K148-E152 WeakPolarHBondContact O-CA 3.42Å; K148-E152 VanDerWaalsContact O-CB 3.3Å; K148-E152 WeakPolarHBondContact O-CB 3.48Å; K148-E152 PolarHBondContact O-N 3.3Å; E152-H154 PolarHBondContact O-N 3.46Å; E152-H154 VanDerWaalsContact O-N 3.16Å; E152-K155 HydrophobicContact CB-CD 4.33Å; E152-K155 HydrophobicContact CG-CD 4.44Å; E152-K155 WeakPolarHBondContact O-CB 3.38Å; E152-K155 PolarHBondContact O-N 2.75Å; E152-K155 IonicContact OE1-NZ 3.44Å; E152-K155 PolarHBondContact OE1-NZ 2.95Å; E152-T162 WeakPolarHBondContact OE2-CA 3.18Å; E152-T162 WeakPolarHBondContact OE2-CB 3.44Å; E152-T162 PolarHBondContact OE2-N 2.97Å; E152-T162 PolarHBondContact OE2-OG1 3.24Å; E152-M163 HydrophobicContact CB-CE 4.33Å |
| 153 | L | 90.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.7 | -41.1 | 178.7 | -173.5 | 62.7 | 0 | 0 | 0 | 112.6 | S130 Y137 L138 V141 C149 K155 V156 L171 | S130-L153 WeakPolarHBondContact CB-O 3.46Å; S130-L153 CarbonylContact O-C 3.5Å; Y137-L153 HydrophobicContact CE1-CD2 4.29Å; L138-L153 HydrophobicContact CD2-CD2 3.59Å; V141-L153 HydrophobicContact CG1-CD1 4.42Å; C149-L153 VanDerWaalsContact O-CB 3.31Å; C149-L153 WeakPolarHBondContact O-CB 3.36Å; C149-L153 PolarHBondContact O-N 2.82Å; C149-L153 VanDerWaalsContact O-N 3.13Å; L153-K155 PolarHBondContact O-N 3.01Å; L153-K155 VanDerWaalsContact O-N 3.14Å; L153-V156 HydrophobicContact CD1-CG2 4.3Å; L153-V156 VanDerWaalsContact O-CB 3.23Å; L153-V156 WeakPolarHBondContact O-CB 3.3Å; L153-V156 WeakPolarHBondContact O-CG2 3.38Å; L153-V156 PolarHBondContact O-N 3.26Å; L153-L171 HydrophobicContact CD1-CD1 4.4Å; L153-L171 HydrophobicContact CD1-CD2 4.25Å |
| 154 | H | 90 | Very high | 88.6 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -17.8 | 178.2 | 68.9 | -82.9 | 0 | 0 | 0 | 114.1 | N47 S130 E151 E152 | N47-H154 PolarHBondContact ND2-O 2.58Å; S130-H154 WeakPolarHBondContact O-CA 3.38Å; S130-H154 WeakPolarHBondContact O-CB 3.46Å; S130-H154 PolarHBondContact O-N 3.41Å; S130-H154 VanDerWaalsContact O-N 3.08Å; E151-H154 PolarHBondContact O-CE1 2.96Å; E151-H154 PolarHBondContact O-ND1 3.43Å; E151-H154 VanDerWaalsContact O-ND1 3.1Å; E152-H154 PolarHBondContact O-N 3.46Å; E152-H154 VanDerWaalsContact O-N 3.16Å |
| 155 | K | 91.1 | Very high | 88.7 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 27% | 0.265 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -89.3 | -12.9 | 175.9 | -57 | -178.2 | -171.6 | 167.9 | 0 | 112.8 | E152 L153 C158 G159 K160 | E152-K155 HydrophobicContact CB-CD 4.33Å; E152-K155 HydrophobicContact CG-CD 4.44Å; E152-K155 WeakPolarHBondContact O-CB 3.38Å; E152-K155 PolarHBondContact O-N 2.75Å; E152-K155 IonicContact OE1-NZ 3.44Å; E152-K155 PolarHBondContact OE1-NZ 2.95Å; L153-K155 PolarHBondContact O-N 3.01Å; L153-K155 VanDerWaalsContact O-N 3.14Å; K155-C158 PolarHBondContact O-N 2.86Å; K155-C158 PolarHBondContact O-SG 3.45Å; K155-G159 PolarHBondContact O-N 2.87Å; K155-G159 VanDerWaalsContact O-N 3.15Å; K155-K160 PolarHBondContact O-N 3.26Å; K155-K160 VanDerWaalsContact O-N 3.16Å |
| 156 | V | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -52.5 | -179.7 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | L153 C158 G159 M163 S168 L171 K172 | L153-V156 HydrophobicContact CD1-CG2 4.3Å; L153-V156 VanDerWaalsContact O-CB 3.23Å; L153-V156 WeakPolarHBondContact O-CB 3.3Å; L153-V156 WeakPolarHBondContact O-CG2 3.38Å; L153-V156 PolarHBondContact O-N 3.26Å; V156-C158 PolarHBondContact O-N 3.27Å; V156-G159 PolarHBondContact O-N 3.07Å; V156-M163 HydrophobicContact CG2-CE 3.23Å; V156-S168 WeakPolarHBondContact CG1-O 3.43Å; V156-L171 HydrophobicContact CG1-CB 4.11Å; V156-L171 HydrophobicContact CG2-CD1 4.2Å; V156-K172 HydrophobicContact CG1-CD 4.41Å; V156-K172 HydrophobicContact CG1-CG 3.49Å; V156-K172 VanDerWaalsContact CG1-CG 3.49Å; V156-K172 WeakPolarHBondContact O-CE 3.32Å; V156-K172 PolarHBondContact O-NZ 2.83Å |
| 157 | A | 88.1 | Confident | 88.7 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -32.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | C41 E126 | C41-A157 HydrophobicContact CB-CB 4.36Å; E126-A157 HydrophobicContact CG-CB 4.27Å; E126-A157 WeakPolarHBondContact OE1-CA 3.18Å |
| 158 | C | 88.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.4 | 178.9 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | C43 K155 V156 K160 | C43-C158 VanDerWaalsContact CA-SG 3.6Å; C43-C158 HydrophobicContact CB-CB 4.15Å; C43-C158 WeakPolarHBondContact CB-SG 3.29Å; C43-C158 WeakPolarHBondContact SG-CB 3.47Å; C43-C158 CovalentContact SG-SG 2.01Å; C43-C158 PolarHBondContact SG-SG 3.02Å; K155-C158 PolarHBondContact O-N 2.86Å; K155-C158 PolarHBondContact O-SG 3.45Å; V156-C158 PolarHBondContact O-N 3.27Å; C158-K160 PolarHBondContact O-N 3.28Å |
| 159 | G | 85.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 20.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K155 V156 | K155-G159 PolarHBondContact O-N 2.87Å; K155-G159 VanDerWaalsContact O-N 3.15Å; V156-G159 PolarHBondContact O-N 3.07Å |
| 160 | K | 87.6 | Confident | 88.8 | Confident | 150 Ų | 150 | 59.9 Ų | 59.9 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | trans | -111.4 | 20.3 | -178 | -58.8 | -168.8 | -171.3 | 174.7 | 0 | 113.9 | K155 C158 | K155-K160 PolarHBondContact O-N 3.26Å; K155-K160 VanDerWaalsContact O-N 3.16Å; C158-K160 PolarHBondContact O-N 3.28Å | ||
| 161 | S | 87.2 | Confident | 89 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | trans | -72.9 | 148.3 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | M163 | S161-M163 VanDerWaalsContact C-N 3.26Š| ||
| 162 | T | 88.5 | Confident | 89.1 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.5 | 6.4 | 172.4 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | K148 E152 | K148-T162 PolarHBondContact NZ-O 3.43Å; K148-T162 PolarHBondContact NZ-OG1 2.84Å; E152-T162 WeakPolarHBondContact OE2-CA 3.18Å; E152-T162 WeakPolarHBondContact OE2-CB 3.44Å; E152-T162 PolarHBondContact OE2-N 2.97Å; E152-T162 PolarHBondContact OE2-OG1 3.24Å |
| 163 | M | 87.2 | Confident | 89.3 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -67.5 | 162.8 | 172.3 | -68.6 | -173.6 | -76.8 | 0 | 0 | 111.4 | K148 C149 E152 V156 S161 L171 | K148-M163 HydrophobicContact CB-CG 3.71Å; K148-M163 HydrophobicContact CB-SD 4.32Å; K148-M163 HydrophobicContact CD-CG 4.34Å; C149-M163 HydrophobicContact CB-SD 4.08Å; E152-M163 HydrophobicContact CB-CE 4.33Å; V156-M163 HydrophobicContact CG2-CE 3.23Å; S161-M163 VanDerWaalsContact C-N 3.26Å; M163-L171 HydrophobicContact CE-CD1 4.01Å; M163-L171 HydrophobicContact SD-CD1 4.16Å |
| 164 | S | 88.7 | Confident | 89.4 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | trans | -61.9 | 142.2 | 174.4 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | E167 S168 | S164-E167 PolarHBondContact O-N 3.26Å; S164-E167 WeakPolarHBondContact OG-CB 3.36Å; S164-E167 PolarHBondContact OG-OE2 2.93Å; S164-S168 PolarHBondContact O-N 3.27Å | ||
| 165 | F | 86.8 | Confident | 89.6 | Confident | 149 Ų | 149 | 56.2 Ų | 56.2 | 65% | 0.654 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -49.2 | -51.3 | 176.9 | -178.6 | -95.5 | 0 | 0 | 0 | 113.3 | E167 S168 E169 | F165-E167 VanDerWaalsContact C-N 3.31Å; F165-E167 PolarHBondContact O-N 3.46Å; F165-S168 PolarHBondContact O-N 3.15Å; F165-S168 PolarHBondContact O-OG 3.44Å; F165-E169 WeakPolarHBondContact CE1-OE2 3.48Å; F165-E169 WeakPolarHBondContact O-CB 3.25Å; F165-E169 PolarHBondContact O-N 3.02Å |
| 166 | P | 88.3 | Confident | 89.7 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | -178.8 | 23.5 | -34.8 | 0 | 0 | 0 | 113 | E169 E170 | P166-E169 PolarHBondContact O-N 3.28Å; P166-E170 WeakPolarHBondContact O-CB 3.39Å; P166-E170 PolarHBondContact O-N 3.32Å |
| 167 | E | 88.6 | Confident | 90 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -43 | 177.5 | -177.9 | -179.3 | -170.8 | 0 | 0 | 111.9 | K145 S146 S164 F165 E169 E170 L171 | K145-E167 HydrophobicContact CD-CG 4.32Å; S146-E167 VanDerWaalsContact CB-OE1 3.23Å; S146-E167 WeakPolarHBondContact CB-OE1 3.39Å; S146-E167 PolarHBondContact N-OE1 3.28Å; S146-E167 PolarHBondContact OG-OE1 3.23Å; S146-E167 PolarHBondContact OG-OE2 3.15Å; S164-E167 PolarHBondContact O-N 3.26Å; S164-E167 WeakPolarHBondContact OG-CB 3.36Å; S164-E167 PolarHBondContact OG-OE2 2.93Å; F165-E167 VanDerWaalsContact C-N 3.31Å; F165-E167 PolarHBondContact O-N 3.46Å; E167-E169 VanDerWaalsContact C-N 3.35Å; E167-E170 PolarHBondContact O-N 3.48Å; E167-L171 HydrophobicContact CG-CD1 4.5Å; E167-L171 WeakPolarHBondContact O-CG 3.45Å; E167-L171 PolarHBondContact O-N 2.78Å |
| 168 | S | 88.8 | Confident | 90.3 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | V156 S164 F165 K172 | V156-S168 WeakPolarHBondContact CG1-O 3.43Å; S164-S168 PolarHBondContact O-N 3.27Å; F165-S168 PolarHBondContact O-N 3.15Å; F165-S168 PolarHBondContact O-OG 3.44Å; S168-K172 WeakPolarHBondContact O-CG 3.27Å; S168-K172 PolarHBondContact O-N 2.88Å; S168-K172 VanDerWaalsContact O-N 3.16Å |
| 169 | E | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | 176.7 | -174.3 | 177.3 | -168.8 | 0 | 0 | 111.1 | F165 P166 E167 L171 K172 L173 | F165-E169 WeakPolarHBondContact CE1-OE2 3.48Å; F165-E169 WeakPolarHBondContact O-CB 3.25Å; F165-E169 PolarHBondContact O-N 3.02Å; P166-E169 PolarHBondContact O-N 3.28Å; E167-E169 VanDerWaalsContact C-N 3.35Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.09Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.71Å; E169-K172 VanDerWaalsContact O-N 3.17Å; E169-L173 HydrophobicContact CG-CD1 4.28Å; E169-L173 WeakPolarHBondContact O-CG 3.24Å; E169-L173 PolarHBondContact O-N 3.4Å |
| 170 | E | 91.4 | Very high | 91.3 | Very high | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 176.2 | -168.4 | -168.2 | 160 | 0 | 0 | 112 | K145 P166 E167 L173 T174 | K145-E170 IonicContact NZ-OE1 2.67Å; K145-E170 PolarHBondContact NZ-OE1 3.22Å; K145-E170 IonicContact NZ-OE2 3.84Å; K145-E170 PolarHBondContact NZ-OE2 3.27Å; P166-E170 WeakPolarHBondContact O-CB 3.39Å; P166-E170 PolarHBondContact O-N 3.32Å; E167-E170 PolarHBondContact O-N 3.48Å; E170-L173 PolarHBondContact O-N 3.44Å; E170-T174 WeakPolarHBondContact O-CB 3.4Å; E170-T174 PolarHBondContact O-N 3.29Å; E170-T174 PolarHBondContact O-OG1 3.12Å |
| 171 | L | 92.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.1 | -78.8 | 166.7 | 0 | 0 | 0 | 111.6 | V141 L153 V156 M163 E167 E169 T174 L175 | V141-L171 HydrophobicContact CG1-CD2 3.71Å; L153-L171 HydrophobicContact CD1-CD1 4.4Å; L153-L171 HydrophobicContact CD1-CD2 4.25Å; V156-L171 HydrophobicContact CG1-CB 4.11Å; V156-L171 HydrophobicContact CG2-CD1 4.2Å; M163-L171 HydrophobicContact CE-CD1 4.01Å; M163-L171 HydrophobicContact SD-CD1 4.16Å; E167-L171 HydrophobicContact CG-CD1 4.5Å; E167-L171 WeakPolarHBondContact O-CG 3.45Å; E167-L171 PolarHBondContact O-N 2.78Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.09Å; L171-T174 PolarHBondContact O-N 3.03Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.34Å; L171-L175 PolarHBondContact O-N 2.88Å |
| 172 | K | 91.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 27% | 0.274 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.3 | -73.2 | -174.5 | 176.4 | -171 | 0 | 112 | V156 S168 E169 T174 L175 Q176 | V156-K172 HydrophobicContact CG1-CD 4.41Å; V156-K172 HydrophobicContact CG1-CG 3.49Å; V156-K172 VanDerWaalsContact CG1-CG 3.49Å; V156-K172 WeakPolarHBondContact O-CE 3.32Å; V156-K172 PolarHBondContact O-NZ 2.83Å; S168-K172 WeakPolarHBondContact O-CG 3.27Å; S168-K172 PolarHBondContact O-N 2.88Å; S168-K172 VanDerWaalsContact O-N 3.16Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.71Å; E169-K172 VanDerWaalsContact O-N 3.17Å; K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.13Å; K172-L175 PolarHBondContact O-N 2.92Å; K172-Q176 WeakPolarHBondContact O-CB 3.37Å; K172-Q176 PolarHBondContact O-N 2.94Å |
| 173 | L | 92.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 52% | 0.518 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 179.5 | -69.1 | 173.1 | 0 | 0 | 0 | 111.3 | E169 E170 Q176 A177 | E169-L173 HydrophobicContact CG-CD1 4.28Å; E169-L173 WeakPolarHBondContact O-CG 3.24Å; E169-L173 PolarHBondContact O-N 3.4Å; E170-L173 PolarHBondContact O-N 3.44Å; L173-Q176 PolarHBondContact O-N 3.41Å; L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.13Å; L173-A177 PolarHBondContact O-N 3.25Å |
| 174 | T | 93.3 | Very high | 93.1 | Very high | 55 Ų | 55 | 63 Ų | 63 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | E170 L171 K172 Q176 A177 Q178 | E170-T174 WeakPolarHBondContact O-CB 3.4Å; E170-T174 PolarHBondContact O-N 3.29Å; E170-T174 PolarHBondContact O-OG1 3.12Å; L171-T174 PolarHBondContact O-N 3.03Å; K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.13Å; T174-Q176 PolarHBondContact O-N 2.99Å; T174-A177 PolarHBondContact O-N 2.88Å; T174-Q178 WeakPolarHBondContact O-CG 3.3Å; T174-Q178 PolarHBondContact O-N 3.36Å |
| 175 | L | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 177.4 | -67.8 | 175.9 | 0 | 0 | 0 | 112.1 | E126 M129 Y137 L171 K172 Q178 S179 | E126-L175 HydrophobicContact CB-CB 4.45Å; E126-L175 HydrophobicContact CG-CB 4.19Å; E126-L175 HydrophobicContact CG-CD1 4.12Å; M129-L175 HydrophobicContact CB-CD2 4.1Å; Y137-L175 WeakPolarHBondContact OH-CD2 3.46Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.34Å; L171-L175 PolarHBondContact O-N 2.88Å; K172-L175 PolarHBondContact O-N 2.92Å; L175-Q178 PolarHBondContact O-N 3.34Å; L175-S179 PolarHBondContact O-N 3.33Å |
| 176 | Q | 94.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 177.4 | -169 | 175.6 | 15.1 | 0 | 0 | 111.5 | K172 L173 T174 S179 Q180 | K172-Q176 WeakPolarHBondContact O-CB 3.37Å; K172-Q176 PolarHBondContact O-N 2.94Å; L173-Q176 PolarHBondContact O-N 3.41Å; T174-Q176 PolarHBondContact O-N 2.99Å; Q176-S179 WeakPolarHBondContact O-CB 3.22Å; Q176-S179 PolarHBondContact O-N 3.28Å; Q176-Q180 WeakPolarHBondContact O-CG 3.02Å; Q176-Q180 PolarHBondContact O-N 3.48Å |
| 177 | A | 95.5 | Very high | 94.2 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L173 T174 S179 Q180 I181 | L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.13Å; L173-A177 PolarHBondContact O-N 3.25Å; T174-A177 PolarHBondContact O-N 2.88Å; A177-S179 VanDerWaalsContact C-N 3.31Å; A177-S179 PolarHBondContact O-N 3.09Å; A177-Q180 PolarHBondContact O-N 3.35Å; A177-I181 VanDerWaalsContact O-CG1 3.28Å; A177-I181 WeakPolarHBondContact O-CG1 3.21Å; A177-I181 PolarHBondContact O-N 3.21Å |
| 178 | Q | 95.4 | Very high | 94.6 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 173.6 | -74.8 | 178.7 | -1 | 0 | 0 | 111.7 | Y125 T174 L175 Q180 I181 L182 | Y125-Q178 HydrophobicContact CE1-CB 3.91Å; T174-Q178 WeakPolarHBondContact O-CG 3.3Å; T174-Q178 PolarHBondContact O-N 3.36Å; L175-Q178 PolarHBondContact O-N 3.34Å; Q178-Q180 PolarHBondContact O-N 2.95Å; Q178-I181 PolarHBondContact O-N 3.02Å; Q178-L182 WeakPolarHBondContact O-CG 3.42Å; Q178-L182 PolarHBondContact O-N 3.47Å |
| 179 | S | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.5 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | L119 G122 Y125 L175 Q176 A177 L182 G183 | L119-S179 WeakPolarHBondContact CA-OG 3.35Å; L119-S179 CarbonylContact O-C 3.53Å; L119-S179 WeakPolarHBondContact O-CB 3.22Å; L119-S179 PolarHBondContact O-OG 3.03Å; G122-S179 WeakPolarHBondContact CA-OG 3.32Å; Y125-S179 WeakPolarHBondContact CB-OG 3.34Å; Y125-S179 VanDerWaalsContact CD1-CB 3.48Å; L175-S179 PolarHBondContact O-N 3.33Å; Q176-S179 WeakPolarHBondContact O-CB 3.22Å; Q176-S179 PolarHBondContact O-N 3.28Å; A177-S179 VanDerWaalsContact C-N 3.31Å; A177-S179 PolarHBondContact O-N 3.09Å; S179-L182 PolarHBondContact O-N 2.95Å; S179-G183 PolarHBondContact O-N 2.74Å |
| 180 | Q | 97.1 | Very high | 95 | Very high | 77 Ų | 77 | 60 Ų | 60 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | -179.2 | -72.9 | 177.8 | -1 | 0 | 0 | 112.4 | L120 Q176 A177 Q178 G183 W184 | L120-Q180 WeakPolarHBondContact O-CG 3.3Å; L120-Q180 PolarHBondContact O-NE2 3.37Å; Q176-Q180 WeakPolarHBondContact O-CG 3.02Å; Q176-Q180 PolarHBondContact O-N 3.48Å; A177-Q180 PolarHBondContact O-N 3.35Å; Q178-Q180 PolarHBondContact O-N 2.95Å; Q180-G183 PolarHBondContact O-N 2.99Å; Q180-W184 VanDerWaalsContact O-CD1 3.28Å; Q180-W184 PolarHBondContact O-N 2.88Å |
| 181 | I | 97.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 56% | 0.559 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.8 | -48.4 | 173.4 | -68.5 | 165.8 | 0 | 0 | 0 | 109.7 | A177 Q178 G183 W184 C185 | A177-I181 VanDerWaalsContact O-CG1 3.28Å; A177-I181 WeakPolarHBondContact O-CG1 3.21Å; A177-I181 PolarHBondContact O-N 3.21Å; Q178-I181 PolarHBondContact O-N 3.02Å; I181-G183 VanDerWaalsContact C-N 3.33Å; I181-G183 PolarHBondContact O-N 3.48Å; I181-W184 PolarHBondContact O-N 3.23Å; I181-C185 PolarHBondContact O-N 3.35Å; I181-C185 PolarHBondContact O-SG 3.12Å |
| 182 | L | 96.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.2 | -71.7 | 173.1 | 0 | 0 | 0 | 112.1 | Y125 Q178 S179 W184 C185 V186 | Y125-L182 HydrophobicContact CD2-CD1 4.28Å; Y125-L182 HydrophobicContact CE2-CD1 3.41Å; Y125-L182 VanDerWaalsContact CE2-CD1 3.41Å; Q178-L182 WeakPolarHBondContact O-CG 3.42Å; Q178-L182 PolarHBondContact O-N 3.47Å; S179-L182 PolarHBondContact O-N 2.95Å; L182-W184 PolarHBondContact O-N 3.36Å; L182-C185 WeakPolarHBondContact O-CB 3.45Å; L182-C185 PolarHBondContact O-N 3.47Å; L182-V186 WeakPolarHBondContact O-CG2 3.01Å; L182-V186 PolarHBondContact O-N 3.05Å |
| 183 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S179 Q180 I181 V186 I187 | S179-G183 PolarHBondContact O-N 2.74Å; Q180-G183 PolarHBondContact O-N 2.99Å; I181-G183 VanDerWaalsContact C-N 3.33Å; I181-G183 PolarHBondContact O-N 3.48Å; G183-V186 PolarHBondContact O-N 3.29Å; G183-I187 WeakPolarHBondContact O-CG1 3.47Å; G183-I187 PolarHBondContact O-N 2.98Å; G183-I187 VanDerWaalsContact O-N 3.07Å |
| 184 | W | 97.6 | Very high | 95 | Very high | 151 Ų | 151 | 61.8 Ų | 61.8 | 57% | 0.572 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.7 | -38.7 | 175.6 | -79.1 | 114.9 | 0 | 0 | 0 | 113.1 | L120 Q180 I181 L182 V186 I187 V188 | L120-W184 HydrophobicContact CD2-CD2 4.42Å; L120-W184 HydrophobicContact CD2-CG 4.28Å; Q180-W184 VanDerWaalsContact O-CD1 3.28Å; Q180-W184 PolarHBondContact O-N 2.88Å; I181-W184 PolarHBondContact O-N 3.23Å; L182-W184 PolarHBondContact O-N 3.36Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.67Å; W184-I187 HydrophobicContact CE3-CB 4.45Å; W184-I187 HydrophobicContact CE3-CD1 3.97Å; W184-I187 HydrophobicContact CE3-CG2 4.48Å; W184-I187 HydrophobicContact CZ3-CD1 4.16Å; W184-I187 HydrophobicContact CZ3-CG2 4.48Å; W184-I187 PolarHBondContact O-N 3.08Å; W184-V188 WeakPolarHBondContact O-CG2 3.35Å; W184-V188 PolarHBondContact O-N 3.03Å |
| 185 | C | 97.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 173.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | I181 L182 T189 | I181-C185 PolarHBondContact O-N 3.35Å; I181-C185 PolarHBondContact O-SG 3.12Å; L182-C185 WeakPolarHBondContact O-CB 3.45Å; L182-C185 PolarHBondContact O-N 3.47Å; C185-T189 VanDerWaalsContact O-CB 3.3Å; C185-T189 WeakPolarHBondContact O-CB 3.23Å; C185-T189 WeakPolarHBondContact O-CG2 3.03Å; C185-T189 PolarHBondContact O-N 3Å; C185-T189 PolarHBondContact O-OG1 3.46Å |
| 186 | V | 95.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V112 L119 L182 G183 W184 T189 T190 | V112-V186 HydrophobicContact CG1-CG1 4.05Å; L119-V186 HydrophobicContact CD1-CG2 4.17Å; L182-V186 WeakPolarHBondContact O-CG2 3.01Å; L182-V186 PolarHBondContact O-N 3.05Å; G183-V186 PolarHBondContact O-N 3.29Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.67Å; V186-T189 PolarHBondContact O-OG1 2.98Å; V186-T190 WeakPolarHBondContact O-CB 3.46Å; V186-T190 PolarHBondContact O-N 3.49Å; V186-T190 PolarHBondContact O-OG1 3.35Å |
| 187 | I | 95.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -52.2 | 178.9 | -67.3 | 166.2 | 0 | 0 | 0 | 110.9 | L120 G183 W184 T190 A191 | L120-I187 HydrophobicContact CD1-CD1 3.88Å; G183-I187 WeakPolarHBondContact O-CG1 3.47Å; G183-I187 PolarHBondContact O-N 2.98Å; G183-I187 VanDerWaalsContact O-N 3.07Å; W184-I187 HydrophobicContact CE3-CB 4.45Å; W184-I187 HydrophobicContact CE3-CD1 3.97Å; W184-I187 HydrophobicContact CE3-CG2 4.48Å; W184-I187 HydrophobicContact CZ3-CD1 4.16Å; W184-I187 HydrophobicContact CZ3-CG2 4.48Å; W184-I187 PolarHBondContact O-N 3.08Å; I187-T190 PolarHBondContact O-N 3.42Å; I187-A191 VanDerWaalsContact O-CB 3.32Å; I187-A191 WeakPolarHBondContact O-CB 3.5Å; I187-A191 PolarHBondContact O-N 3.14Å |
| 188 | V | 96.7 | Very high | 93.6 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | -176.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | W184 T190 A191 L192 | W184-V188 WeakPolarHBondContact O-CG2 3.35Å; W184-V188 PolarHBondContact O-N 3.03Å; V188-T190 PolarHBondContact O-N 2.9Å; V188-A191 PolarHBondContact O-N 3.4Å; V188-L192 HydrophobicContact CG1-CD1 3.98Å; V188-L192 WeakPolarHBondContact O-CG 3.5Å; V188-L192 PolarHBondContact O-N 3.45Å |
| 189 | T | 95.2 | Very high | 93.1 | Very high | 73 Ų | 73 | 67.8 Ų | 67.8 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 179.5 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | C185 V186 L192 L193 | C185-T189 VanDerWaalsContact O-CB 3.3Å; C185-T189 WeakPolarHBondContact O-CB 3.23Å; C185-T189 WeakPolarHBondContact O-CG2 3.03Å; C185-T189 PolarHBondContact O-N 3Å; C185-T189 PolarHBondContact O-OG1 3.46Å; V186-T189 PolarHBondContact O-OG1 2.98Å; T189-L192 PolarHBondContact O-N 2.94Å; T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 VanDerWaalsContact O-CG 3.22Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 2.72Å |
| 190 | T | 93 | Very high | 92.5 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | V112 V186 I187 V188 L193 S194 | V112-T190 HydrophobicContact CG1-CG2 3.83Å; V186-T190 WeakPolarHBondContact O-CB 3.46Å; V186-T190 PolarHBondContact O-N 3.49Å; V186-T190 PolarHBondContact O-OG1 3.35Å; I187-T190 PolarHBondContact O-N 3.42Å; V188-T190 PolarHBondContact O-N 2.9Å; T190-L193 PolarHBondContact O-N 2.93Å; T190-S194 VanDerWaalsContact O-CB 3.25Å; T190-S194 WeakPolarHBondContact O-CB 3.28Å; T190-S194 PolarHBondContact O-N 3Å |
| 191 | A | 92.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 49% | 0.488 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I187 V188 S194 L195 | I187-A191 VanDerWaalsContact O-CB 3.32Å; I187-A191 WeakPolarHBondContact O-CB 3.5Å; I187-A191 PolarHBondContact O-N 3.14Å; V188-A191 PolarHBondContact O-N 3.4Å; A191-S194 PolarHBondContact O-N 3.38Å; A191-L195 PolarHBondContact O-N 3.21Å |
| 192 | L | 94.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 176.2 | -70.9 | 173.3 | 0 | 0 | 0 | 111.9 | V188 T189 S194 L195 L196 | V188-L192 HydrophobicContact CG1-CD1 3.98Å; V188-L192 WeakPolarHBondContact O-CG 3.5Å; V188-L192 PolarHBondContact O-N 3.45Å; T189-L192 PolarHBondContact O-N 2.94Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 2.98Å; L192-L195 PolarHBondContact O-N 2.96Å; L192-L196 WeakPolarHBondContact O-CB 3.32Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.17Å; L192-L196 PolarHBondContact O-N 3.06Å |
| 193 | L | 91.9 | Very high | 89.9 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 56% | 0.56 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 176.9 | -72.8 | 172 | 0 | 0 | 0 | 111.6 | T189 T190 L196 T197 | T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 VanDerWaalsContact O-CG 3.22Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 2.72Å; T190-L193 PolarHBondContact O-N 2.93Å; L193-L196 PolarHBondContact O-N 3.46Å; L193-T197 VanDerWaalsContact O-CB 3.32Å; L193-T197 WeakPolarHBondContact O-CB 3.43Å; L193-T197 WeakPolarHBondContact O-CG2 3.44Å; L193-T197 PolarHBondContact O-N 2.96Å; L193-T197 PolarHBondContact O-OG1 3.29Å |
| 194 | S | 89.1 | Confident | 89.1 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 23% | 0.231 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 175 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | T190 A191 L192 T197 T198 | T190-S194 VanDerWaalsContact O-CB 3.25Å; T190-S194 WeakPolarHBondContact O-CB 3.28Å; T190-S194 PolarHBondContact O-N 3Å; A191-S194 PolarHBondContact O-N 3.38Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 2.98Å; S194-T197 PolarHBondContact O-OG1 2.04Å; S194-T198 WeakPolarHBondContact O-CB 3.42Å; S194-T198 PolarHBondContact O-N 2.88Å; S194-T198 VanDerWaalsContact O-N 3.07Å; S194-T198 PolarHBondContact O-OG1 3.29Å |
| 195 | L | 89.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 177.6 | -177.6 | 62.6 | 0 | 0 | 0 | 111.5 | A191 L192 T198 C199 | A191-L195 PolarHBondContact O-N 3.21Å; L192-L195 PolarHBondContact O-N 2.96Å; L195-T198 PolarHBondContact O-N 2.87Å; L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.99Å; L195-C199 PolarHBondContact O-SG 3.08Å |
| 196 | L | 90.3 | Very high | 86.6 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -51.5 | -179.4 | -73.4 | 170.9 | 0 | 0 | 0 | 111.9 | L192 L193 T198 C199 C200 | L192-L196 WeakPolarHBondContact O-CB 3.32Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.17Å; L192-L196 PolarHBondContact O-N 3.06Å; L193-L196 PolarHBondContact O-N 3.46Å; L196-T198 PolarHBondContact O-N 3.41Å; L196-C199 PolarHBondContact O-N 2.93Å; L196-C200 WeakPolarHBondContact O-CB 3.38Å; L196-C200 PolarHBondContact O-N 2.82Å; L196-C200 PolarHBondContact O-SG 2.73Å |
| 197 | T | 84.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 179.3 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | L193 S194 A201 | L193-T197 VanDerWaalsContact O-CB 3.32Å; L193-T197 WeakPolarHBondContact O-CB 3.43Å; L193-T197 WeakPolarHBondContact O-CG2 3.44Å; L193-T197 PolarHBondContact O-N 2.96Å; L193-T197 PolarHBondContact O-OG1 3.29Å; S194-T197 PolarHBondContact O-OG1 2.04Å; T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.38Å; T197-A201 PolarHBondContact O-N 3.42Å |
| 198 | T | 82.8 | Confident | 85 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 13% | 0.129 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -78.5 | -32.9 | -178.5 | -32.3 | 0 | 0 | 0 | 0 | 113.5 | S194 L195 L196 S202 R305 | S194-T198 WeakPolarHBondContact O-CB 3.42Å; S194-T198 PolarHBondContact O-N 2.88Å; S194-T198 VanDerWaalsContact O-N 3.07Å; S194-T198 PolarHBondContact O-OG1 3.29Å; L195-T198 PolarHBondContact O-N 2.87Å; L196-T198 PolarHBondContact O-N 3.41Å; T198-S202 WeakPolarHBondContact O-CB 3.36Å; T198-S202 PolarHBondContact O-N 3.1Å; T198-S202 PolarHBondContact O-OG 3.08Å; T198-R305 VanDerWaalsContact CB-NH2 3.33Å; T198-R305 HydrophobicContact CG2-CG 4.08Å |
| 199 | C | 85.4 | Confident | 84.2 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 169.9 | -74 | 0 | 0 | 0 | 0 | 111.1 | L195 L196 A201 S202 C203 | L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.99Å; L195-C199 PolarHBondContact O-SG 3.08Å; L196-C199 PolarHBondContact O-N 2.93Å; C199-A201 VanDerWaalsContact C-N 3.32Å; C199-A201 PolarHBondContact O-N 3.45Å; C199-S202 PolarHBondContact O-N 3.33Å; C199-C203 PolarHBondContact O-N 3.24Å; C199-C203 PolarHBondContact O-SG 3.45Å; C199-C203 VanDerWaalsContact O-SG 3.36Å |
| 200 | C | 84.3 | Confident | 83.7 | Confident | 69 Ų | 69 | 76 Ų | 76 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | L196 S202 C203 Q204 | L196-C200 WeakPolarHBondContact O-CB 3.38Å; L196-C200 PolarHBondContact O-N 2.82Å; L196-C200 PolarHBondContact O-SG 2.73Å; C200-S202 VanDerWaalsContact C-N 3.26Å; C200-S202 PolarHBondContact O-N 3.32Å; C200-C203 PolarHBondContact O-N 2.81Å; C200-Q204 WeakPolarHBondContact O-CB 3.31Å; C200-Q204 VanDerWaalsContact O-CG 3.27Å; C200-Q204 WeakPolarHBondContact O-CG 3.07Å; C200-Q204 PolarHBondContact O-N 3.13Å |
| 201 | A | 79 | Confident | 83.2 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T197 C199 S205 | T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.38Å; T197-A201 PolarHBondContact O-N 3.42Å; C199-A201 VanDerWaalsContact C-N 3.32Å; C199-A201 PolarHBondContact O-N 3.45Å; A201-S205 PolarHBondContact O-N 2.81Å |
| 202 | S | 78.1 | Confident | 82.7 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 38% | 0.378 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.6 | -37.9 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | T198 C199 C200 Q204 S205 R305 | T198-S202 WeakPolarHBondContact O-CB 3.36Å; T198-S202 PolarHBondContact O-N 3.1Å; T198-S202 PolarHBondContact O-OG 3.08Å; C199-S202 PolarHBondContact O-N 3.33Å; C200-S202 VanDerWaalsContact C-N 3.26Å; C200-S202 PolarHBondContact O-N 3.32Å; S202-Q204 VanDerWaalsContact C-N 3.29Å; S202-Q204 PolarHBondContact O-N 3.2Å; S202-S205 WeakPolarHBondContact O-CB 3.42Å; S202-S205 PolarHBondContact O-N 3.46Å; S202-R305 PolarHBondContact OG-NH1 3.16Å |
| 203 | C | 79.8 | Confident | 82.3 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 76% | 0.757 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.5 | -28.5 | 175.3 | -67 | 0 | 0 | 0 | 0 | 112.6 | C199 C200 S205 | C199-C203 PolarHBondContact O-N 3.24Å; C199-C203 PolarHBondContact O-SG 3.45Å; C199-C203 VanDerWaalsContact O-SG 3.36Å; C200-C203 PolarHBondContact O-N 2.81Å; C203-S205 VanDerWaalsContact C-N 3.31Å |
| 204 | Q | 77.8 | Confident | 82.1 | Confident | 142 Ų | 142 | 76.1 Ų | 76.1 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.5 | 175.2 | -69.9 | 175 | -2.9 | 0 | 0 | 113.5 | C200 S202 K206 | C200-Q204 WeakPolarHBondContact O-CB 3.31Å; C200-Q204 VanDerWaalsContact O-CG 3.27Å; C200-Q204 WeakPolarHBondContact O-CG 3.07Å; C200-Q204 PolarHBondContact O-N 3.13Å; S202-Q204 VanDerWaalsContact C-N 3.29Å; S202-Q204 PolarHBondContact O-N 3.2Å; Q204-K206 PolarHBondContact O-N 2.69Å |
| 205 | S | 73.3 | Confident | 82 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.203 | 41% | 0.407 | C | S | . | . | trans | -60.6 | 130.5 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | A201 S202 C203 V207 D301 | A201-S205 PolarHBondContact O-N 2.81Å; S202-S205 WeakPolarHBondContact O-CB 3.42Å; S202-S205 PolarHBondContact O-N 3.46Å; C203-S205 VanDerWaalsContact C-N 3.31Å; S205-V207 VanDerWaalsContact C-N 3.26Å; S205-V207 WeakPolarHBondContact OG-CG2 3.4Å; S205-V207 PolarHBondContact OG-N 2.96Å; S205-V207 PolarHBondContact OG-O 3.41Å; S205-D301 PolarHBondContact OG-OD2 2.67Å | ||
| 206 | K | 69.5 | Low | 81.6 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -80.5 | -12.8 | 177.2 | -69.7 | -176.5 | 176.1 | 177.1 | 0 | 112.3 | Q204 F271 V299 D301 | Q204-K206 PolarHBondContact O-N 2.69Å; K206-F271 HydrophobicContact CB-CD1 4.45Å; K206-V299 PolarHBondContact NZ-O 3.49Å; K206-V299 VanDerWaalsContact NZ-O 3.14Å; K206-D301 PolarHBondContact N-OD2 2.67Å |
| 207 | V | 75.9 | Confident | 81.5 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -109.8 | 147.1 | -177.6 | -64 | 0 | 0 | 0 | 0 | 111.9 | S205 Q211 L212 W215 F271 | S205-V207 VanDerWaalsContact C-N 3.26Å; S205-V207 WeakPolarHBondContact OG-CG2 3.4Å; S205-V207 PolarHBondContact OG-N 2.96Å; S205-V207 PolarHBondContact OG-O 3.41Å; V207-Q211 HydrophobicContact CB-CB 4.38Å; V207-Q211 HydrophobicContact CB-CG 4.35Å; V207-Q211 HydrophobicContact CG1-CG 4.42Å; V207-L212 HydrophobicContact CG2-CB 4.06Å; V207-L212 HydrophobicContact CG2-CD1 3.71Å; V207-L212 HydrophobicContact CG2-CG 4.49Å; V207-W215 HydrophobicContact CG2-CE3 4.43Å; V207-F271 HydrophobicContact CG1-CD1 3.69Å; V207-F271 HydrophobicContact CG1-CD2 4.34Å; V207-F271 HydrophobicContact CG1-CE1 3.27Å; V207-F271 HydrophobicContact CG1-CE2 3.99Å; V207-F271 HydrophobicContact CG1-CG 4.21Å; V207-F271 HydrophobicContact CG1-CZ 3.45Å; V207-F271 VanDerWaalsContact CG1-CZ 3.45Å |
| 208 | S | 82 | Confident | 81.8 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 57% | 0.573 | 39% | 0.386 | S | S | * | . | trans | -67.6 | 155.9 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L210 Q211 L212 | S208-L210 VanDerWaalsContact C-N 3.28Å; S208-L210 PolarHBondContact O-N 3.41Å; S208-Q211 PolarHBondContact O-N 2.95Å; S208-Q211 VanDerWaalsContact O-N 3.15Å; S208-L212 WeakPolarHBondContact O-CB 3.33Å; S208-L212 PolarHBondContact O-N 3.38Å | ||
| 209 | H | 79.6 | Confident | 82.1 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 65% | 0.648 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.1 | -39.4 | -178.9 | 179 | -93.8 | 0 | 0 | 0 | 113.5 | L212 K213 | H209-L212 WeakPolarHBondContact O-CB 3.19Å; H209-L212 PolarHBondContact O-N 3.19Å; H209-K213 PolarHBondContact O-N 3.42Å |
| 210 | L | 84.8 | Confident | 82.2 | Confident | 133 Ų | 133 | 77.1 Ų | 77.1 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.2 | -42.4 | -180 | -173.2 | 63.5 | 0 | 0 | 0 | 111.8 | S208 L212 K213 F214 | S208-L210 VanDerWaalsContact C-N 3.28Å; S208-L210 PolarHBondContact O-N 3.41Å; L210-L212 VanDerWaalsContact C-N 3.32Å; L210-K213 PolarHBondContact O-N 2.69Å; L210-F214 PolarHBondContact O-N 2.97Å |
| 211 | Q | 82.8 | Confident | 82.6 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 175.9 | -172.6 | 177.6 | 14.1 | 0 | 0 | 111 | V207 S208 K213 F214 W215 Y278 | V207-Q211 HydrophobicContact CB-CB 4.38Å; V207-Q211 HydrophobicContact CB-CG 4.35Å; V207-Q211 HydrophobicContact CG1-CG 4.42Å; S208-Q211 PolarHBondContact O-N 2.95Å; S208-Q211 VanDerWaalsContact O-N 3.15Å; Q211-K213 VanDerWaalsContact C-N 3.31Å; Q211-K213 PolarHBondContact O-N 3.35Å; Q211-F214 PolarHBondContact O-N 3.17Å; Q211-W215 WeakPolarHBondContact O-CB 3.39Å; Q211-W215 PolarHBondContact O-N 3.42Å; Q211-Y278 HydrophobicContact CG-CE1 4.32Å |
| 212 | L | 82.5 | Confident | 83.2 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 14% | 0.136 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.5 | -170.3 | 70.1 | 0 | 0 | 0 | 111.9 | V207 S208 H209 L210 W215 R216 V303 | V207-L212 HydrophobicContact CG2-CB 4.06Å; V207-L212 HydrophobicContact CG2-CD1 3.71Å; V207-L212 HydrophobicContact CG2-CG 4.49Å; S208-L212 WeakPolarHBondContact O-CB 3.33Å; S208-L212 PolarHBondContact O-N 3.38Å; H209-L212 WeakPolarHBondContact O-CB 3.19Å; H209-L212 PolarHBondContact O-N 3.19Å; L210-L212 VanDerWaalsContact C-N 3.32Å; L212-W215 PolarHBondContact O-N 3.31Å; L212-R216 WeakPolarHBondContact O-CG 3.39Å; L212-R216 PolarHBondContact O-N 2.93Å; L212-R216 VanDerWaalsContact O-N 3.08Å; L212-V303 HydrophobicContact CD1-CB 4.02Å; L212-V303 HydrophobicContact CD1-CG1 3.59Å; L212-V303 HydrophobicContact CD1-CG2 3.23Å; L212-V303 HydrophobicContact CG-CG1 4.18Å |
| 213 | K | 85.1 | Confident | 83.8 | Confident | 130 Ų | 130 | 84 Ų | 84 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.2 | -45.6 | 176 | -174.5 | 179 | 179.4 | -179.6 | 0 | 111.5 | H209 L210 Q211 W215 R216 T217 | H209-K213 PolarHBondContact O-N 3.42Å; L210-K213 PolarHBondContact O-N 2.69Å; Q211-K213 VanDerWaalsContact C-N 3.31Å; Q211-K213 PolarHBondContact O-N 3.35Å; K213-W215 VanDerWaalsContact C-N 3.33Å; K213-W215 PolarHBondContact O-N 3.16Å; K213-R216 PolarHBondContact O-N 3.47Å; K213-T217 PolarHBondContact O-N 3.29Å; K213-T217 PolarHBondContact O-OG1 3.24Å; K213-T217 VanDerWaalsContact O-OG1 3.13Å |
| 214 | F | 87.9 | Confident | 84.4 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 175.1 | 172.9 | -98.2 | 0 | 0 | 0 | 111.4 | L210 Q211 R216 T217 Y218 Y278 | L210-F214 PolarHBondContact O-N 2.97Å; Q211-F214 PolarHBondContact O-N 3.17Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 3.45Å; F214-T217 WeakPolarHBondContact O-CB 3.39Å; F214-T217 PolarHBondContact O-N 3.04Å; F214-T217 VanDerWaalsContact O-N 3.13Å; F214-Y218 PolarHBondContact O-N 2.98Å; F214-Y278 HydrophobicContact CD1-CE1 4.13Å; F214-Y278 HydrophobicContact CD1-CE2 4.35Å; F214-Y278 HydrophobicContact CE1-CD2 4.04Å; F214-Y278 HydrophobicContact CE1-CE1 4.3Å; F214-Y278 AromaticContact CE1-CE2 3.74Å; F214-Y278 HydrophobicContact CE1-CE2 3.74Å; F214-Y278 HydrophobicContact CE1-CG 4.48Å; F214-Y278 AromaticContact CE1-CZ 3.88Å |
| 215 | W | 86.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 81.6 Ų | 81.6 | 3% | 0.027 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | -179.8 | -175.6 | 5.6 | 0 | 0 | 0 | 111.6 | V207 Q211 L212 K213 T217 Y218 V219 Y269 F271 Y278 D301 V303 | V207-W215 HydrophobicContact CG2-CE3 4.43Å; Q211-W215 WeakPolarHBondContact O-CB 3.39Å; Q211-W215 PolarHBondContact O-N 3.42Å; L212-W215 PolarHBondContact O-N 3.31Å; K213-W215 VanDerWaalsContact C-N 3.33Å; K213-W215 PolarHBondContact O-N 3.16Å; W215-T217 PolarHBondContact O-N 2.95Å; W215-Y218 WeakPolarHBondContact O-CB 3.49Å; W215-Y218 PolarHBondContact O-N 3.45Å; W215-V219 WeakPolarHBondContact O-CG2 3.27Å; W215-V219 PolarHBondContact O-N 2.83Å; W215-Y269 HydrophobicContact CH2-CD1 4.14Å; W215-Y269 AromaticContact CH2-CE1 3.7Å; W215-Y269 HydrophobicContact CH2-CE1 3.7Å; W215-Y269 AromaticContact CZ2-CD1 3.53Å; W215-Y269 HydrophobicContact CZ2-CD1 3.53Å; W215-Y269 AromaticContact CZ2-CE1 3.25Å; W215-Y269 HydrophobicContact CZ2-CE1 3.25Å; W215-F271 AromaticContact CE3-CD2 3.99Å; W215-F271 HydrophobicContact CE3-CD2 3.99Å; W215-F271 HydrophobicContact CE3-CE2 4.44Å; W215-F271 HydrophobicContact CH2-CB 3.59Å; W215-F271 AromaticContact CH2-CD2 3.91Å; W215-F271 HydrophobicContact CH2-CD2 3.91Å; W215-F271 HydrophobicContact CH2-CG 4.06Å; W215-F271 HydrophobicContact CZ3-CB 3.72Å; W215-F271 AromaticContact CZ3-CD2 3.51Å; W215-F271 HydrophobicContact CZ3-CD2 3.51Å; W215-F271 HydrophobicContact CZ3-CE2 4.35Å; W215-F271 AromaticContact CZ3-CG 3.72Å; W215-F271 HydrophobicContact CZ3-CG 3.72Å; W215-Y278 HydrophobicContact CB-CD1 3.83Å; W215-Y278 HydrophobicContact CB-CE1 4.27Å; W215-Y278 AromaticContact CD1-CD1 3.78Å; W215-Y278 HydrophobicContact CD2-CD1 4.09Å; W215-Y278 AromaticContact CG-CD1 3.65Å; W215-Y278 HydrophobicContact CG-CD1 3.65Å; W215-Y278 HydrophobicContact CG-CE1 4.46Å; W215-Y278 PolarHBondContact NE1-O 3.25Å; W215-D301 HydrophobicContact CH2-CB 4.48Å; W215-D301 HydrophobicContact CZ3-CB 4.45Å; W215-V303 HydrophobicContact CD2-CB 4.14Å; W215-V303 HydrophobicContact CD2-CG2 3.51Å; W215-V303 HydrophobicContact CE3-CB 4.34Å; W215-V303 HydrophobicContact CE3-CG2 3.24Å; W215-V303 HydrophobicContact CG-CG2 4.28Å; W215-V303 HydrophobicContact CH2-CB 4.48Å; W215-V303 HydrophobicContact CH2-CG2 3.54Å; W215-V303 HydrophobicContact CZ2-CB 4.35Å; W215-V303 HydrophobicContact CZ2-CG2 3.84Å; W215-V303 HydrophobicContact CZ3-CG2 3.27Å |
| 216 | R | 83.4 | Confident | 86.2 | Confident | 85 Ų | 85 | 83 Ų | 83 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 173 | -72.4 | 177 | -163.4 | 157.3 | 4.5 | 112.4 | L212 K213 F214 Y218 V219 E220 V303 | L212-R216 WeakPolarHBondContact O-CG 3.39Å; L212-R216 PolarHBondContact O-N 2.93Å; L212-R216 VanDerWaalsContact O-N 3.08Å; K213-R216 PolarHBondContact O-N 3.47Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 3.45Å; R216-Y218 VanDerWaalsContact C-N 3.26Å; R216-Y218 PolarHBondContact O-N 2.96Å; R216-V219 PolarHBondContact O-N 2.62Å; R216-E220 PolarHBondContact O-N 3.01Å; R216-V303 HydrophobicContact CG-CG1 3.25Å |
| 217 | T | 87.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | -179.9 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | K213 F214 W215 E220 K221 | K213-T217 PolarHBondContact O-N 3.29Å; K213-T217 PolarHBondContact O-OG1 3.24Å; K213-T217 VanDerWaalsContact O-OG1 3.13Å; F214-T217 WeakPolarHBondContact O-CB 3.39Å; F214-T217 PolarHBondContact O-N 3.04Å; F214-T217 VanDerWaalsContact O-N 3.13Å; W215-T217 PolarHBondContact O-N 2.95Å; T217-E220 PolarHBondContact O-N 3.33Å; T217-K221 WeakPolarHBondContact O-CB 3.49Å; T217-K221 WeakPolarHBondContact O-CG 3.48Å; T217-K221 PolarHBondContact O-N 3.45Å |
| 218 | Y | 90.4 | Very high | 88.3 | Confident | 68 Ų | 68 | 88.8 Ų | 88.8 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 176 | 173.9 | -94.3 | 0 | 0 | 0 | 111.6 | F214 W215 R216 E220 K221 E222 Y278 | F214-Y218 PolarHBondContact O-N 2.98Å; W215-Y218 WeakPolarHBondContact O-CB 3.49Å; W215-Y218 PolarHBondContact O-N 3.45Å; R216-Y218 VanDerWaalsContact C-N 3.26Å; R216-Y218 PolarHBondContact O-N 2.96Å; Y218-E220 VanDerWaalsContact C-N 3.32Å; Y218-E220 PolarHBondContact O-N 3.19Å; Y218-K221 PolarHBondContact O-N 3.48Å; Y218-E222 HydrophobicContact CE1-CB 4.45Å; Y218-E222 VanDerWaalsContact O-CB 3.31Å; Y218-E222 WeakPolarHBondContact O-CB 3.4Å; Y218-E222 PolarHBondContact O-N 3Å; Y218-E222 PolarHBondContact OH-OE1 3Å; Y218-Y278 VanDerWaalsContact CD1-CB 3.43Å; Y218-Y278 HydrophobicContact CD1-CG 4.45Å |
| 219 | V | 88.3 | Confident | 88.9 | Confident | 58 Ų | 58 | 89 Ų | 89 | 35% | 0.352 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | -179.2 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | W215 R216 K223 | W215-V219 WeakPolarHBondContact O-CG2 3.27Å; W215-V219 PolarHBondContact O-N 2.83Å; R216-V219 PolarHBondContact O-N 2.62Å; V219-K223 WeakPolarHBondContact O-CB 3.19Å; V219-K223 PolarHBondContact O-N 3.25Å |
| 220 | E | 88.4 | Confident | 89.6 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176 | -173.2 | 169.6 | -153.8 | 0 | 0 | 111.4 | R216 T217 Y218 K223 E224 | R216-E220 PolarHBondContact O-N 3.01Å; T217-E220 PolarHBondContact O-N 3.33Å; Y218-E220 VanDerWaalsContact C-N 3.32Å; Y218-E220 PolarHBondContact O-N 3.19Å; E220-K223 PolarHBondContact O-N 3.37Å; E220-E224 WeakPolarHBondContact O-CG 3.42Å; E220-E224 PolarHBondContact O-N 3.37Å; E220-E224 VanDerWaalsContact O-N 3.09Å |
| 221 | K | 92.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 85.4 Ų | 85.4 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 177.6 | -71.3 | -71.5 | 161.7 | -153.7 | 0 | 113 | T217 Y218 K223 E224 Q225 | T217-K221 WeakPolarHBondContact O-CB 3.49Å; T217-K221 WeakPolarHBondContact O-CG 3.48Å; T217-K221 PolarHBondContact O-N 3.45Å; Y218-K221 PolarHBondContact O-N 3.48Å; K221-K223 VanDerWaalsContact C-N 3.28Å; K221-K223 PolarHBondContact O-N 2.88Å; K221-E224 IonicContact NZ-OE1 2.67Å; K221-E224 IonicContact NZ-OE2 2.74Å; K221-E224 PolarHBondContact NZ-OE2 3.44Å; K221-E224 PolarHBondContact O-N 2.97Å; K221-Q225 WeakPolarHBondContact O-CG 3.37Å; K221-Q225 PolarHBondContact O-N 2.9Å |
| 222 | E | 92.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 88.7 Ų | 88.7 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 174.3 | -176.9 | -176.7 | -129.3 | 0 | 0 | 110.2 | Y218 Q225 L226 S279 | Y218-E222 HydrophobicContact CE1-CB 4.45Å; Y218-E222 VanDerWaalsContact O-CB 3.31Å; Y218-E222 WeakPolarHBondContact O-CB 3.4Å; Y218-E222 PolarHBondContact O-N 3Å; Y218-E222 PolarHBondContact OH-OE1 3Å; E222-Q225 PolarHBondContact O-N 3.11Å; E222-L226 WeakPolarHBondContact O-CB 3.49Å; E222-L226 PolarHBondContact O-N 3.5Å; E222-S279 VanDerWaalsContact OE1-CB 3.28Å; E222-S279 WeakPolarHBondContact OE1-CB 3.27Å; E222-S279 PolarHBondContact OE1-OG 3.43Å; E222-S279 WeakPolarHBondContact OE2-CB 3.45Å; E222-S279 PolarHBondContact OE2-OG 3.21Å |
| 223 | K | 89.7 | Confident | 91.4 | Very high | 153 Ų | 153 | 92.5 Ų | 92.5 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 177.4 | -175.6 | -175.4 | 175.5 | -172.6 | 0 | 112.7 | V219 E220 K221 Q225 L226 E227 | V219-K223 WeakPolarHBondContact O-CB 3.19Å; V219-K223 PolarHBondContact O-N 3.25Å; E220-K223 PolarHBondContact O-N 3.37Å; K221-K223 VanDerWaalsContact C-N 3.28Å; K221-K223 PolarHBondContact O-N 2.88Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; K223-Q225 PolarHBondContact O-N 3.04Å; K223-L226 PolarHBondContact O-N 2.86Å; K223-E227 PolarHBondContact O-N 2.97Å; K223-E227 VanDerWaalsContact O-N 3.13Å |
| 224 | E | 92.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 89.1 Ų | 89.1 | 40% | 0.397 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 177.2 | -73.4 | 175.8 | 177.6 | 0 | 0 | 111.5 | E220 K221 Q228 | E220-E224 WeakPolarHBondContact O-CG 3.42Å; E220-E224 PolarHBondContact O-N 3.37Å; E220-E224 VanDerWaalsContact O-N 3.09Å; K221-E224 IonicContact NZ-OE1 2.67Å; K221-E224 IonicContact NZ-OE2 2.74Å; K221-E224 PolarHBondContact NZ-OE2 3.44Å; K221-E224 PolarHBondContact O-N 2.97Å; E224-Q228 WeakPolarHBondContact O-CG 3.28Å; E224-Q228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 95.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 87.1 Ų | 87.1 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.1 | -38.2 | 178.6 | -71.2 | -176 | -23.6 | 0 | 0 | 112.3 | K221 E222 K223 E227 Q228 I229 | K221-Q225 WeakPolarHBondContact O-CG 3.37Å; K221-Q225 PolarHBondContact O-N 2.9Å; E222-Q225 PolarHBondContact O-N 3.11Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; K223-Q225 PolarHBondContact O-N 3.04Å; Q225-E227 VanDerWaalsContact C-N 3.31Å; Q225-E227 PolarHBondContact O-N 3.41Å; Q225-Q228 PolarHBondContact O-N 3.43Å; Q225-I229 VanDerWaalsContact O-CG1 3.31Å; Q225-I229 WeakPolarHBondContact O-CG1 3.18Å; Q225-I229 PolarHBondContact O-N 3.37Å |
| 226 | L | 93.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 92.5 Ų | 92.5 | 30% | 0.304 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 177.6 | -173.3 | 67.1 | 0 | 0 | 0 | 111.3 | E222 K223 Q228 I229 F230 I281 | E222-L226 WeakPolarHBondContact O-CB 3.49Å; E222-L226 PolarHBondContact O-N 3.5Å; K223-L226 PolarHBondContact O-N 2.86Å; L226-Q228 PolarHBondContact O-N 3.24Å; L226-I229 PolarHBondContact O-N 3.25Å; L226-F230 HydrophobicContact CD1-CD1 4.17Å; L226-F230 HydrophobicContact CD1-CE1 3.5Å; L226-F230 HydrophobicContact CD1-CE2 4.24Å; L226-F230 HydrophobicContact CD1-CZ 3.55Å; L226-F230 HydrophobicContact CD2-CE2 3.95Å; L226-F230 HydrophobicContact CD2-CZ 3.84Å; L226-F230 HydrophobicContact CG-CD1 4.41Å; L226-F230 HydrophobicContact CG-CD2 4.24Å; L226-F230 HydrophobicContact CG-CE1 3.93Å; L226-F230 HydrophobicContact CG-CE2 3.75Å; L226-F230 HydrophobicContact CG-CZ 3.58Å; L226-F230 WeakPolarHBondContact O-CB 3.49Å; L226-F230 VanDerWaalsContact O-CG 3.3Å; L226-F230 WeakPolarHBondContact O-CG 3.34Å; L226-F230 PolarHBondContact O-N 2.87Å; L226-I281 HydrophobicContact CD1-CD1 4.47Å |
| 227 | E | 93.7 | Very high | 93.4 | Very high | 104 Ų | 104 | 90.7 Ų | 90.7 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.9 | -173.3 | 65 | -151.1 | 0 | 0 | 111.6 | K223 Q225 I229 F230 Q231 | K223-E227 PolarHBondContact O-N 2.97Å; K223-E227 VanDerWaalsContact O-N 3.13Å; Q225-E227 VanDerWaalsContact C-N 3.31Å; Q225-E227 PolarHBondContact O-N 3.41Å; E227-I229 PolarHBondContact O-N 3.19Å; E227-F230 PolarHBondContact O-N 3.46Å; E227-Q231 WeakPolarHBondContact O-CG 3.36Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.1Å |
| 228 | Q | 95.9 | Very high | 93.8 | Very high | 130 Ų | 130 | 90 Ų | 90 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 176.9 | -67.7 | 174.4 | 2.1 | 0 | 0 | 111.9 | E224 Q225 L226 Q231 L232 | E224-Q228 WeakPolarHBondContact O-CG 3.28Å; E224-Q228 PolarHBondContact O-N 2.98Å; Q225-Q228 PolarHBondContact O-N 3.43Å; L226-Q228 PolarHBondContact O-N 3.24Å; Q228-Q231 PolarHBondContact O-N 2.97Å; Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 PolarHBondContact O-N 3.31Å |
| 229 | I | 95.2 | Very high | 94 | Very high | 86 Ų | 86 | 92.8 Ų | 92.8 | 44% | 0.441 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.7 | -69.1 | 169.2 | 0 | 0 | 0 | 110.7 | Q225 L226 E227 Q231 L232 Y233 | Q225-I229 VanDerWaalsContact O-CG1 3.31Å; Q225-I229 WeakPolarHBondContact O-CG1 3.18Å; Q225-I229 PolarHBondContact O-N 3.37Å; L226-I229 PolarHBondContact O-N 3.25Å; E227-I229 PolarHBondContact O-N 3.19Å; I229-Q231 PolarHBondContact O-N 2.81Å; I229-L232 PolarHBondContact O-N 3.03Å; I229-Y233 HydrophobicContact CG2-CD2 3.83Å; I229-Y233 HydrophobicContact CG2-CE2 4.04Å; I229-Y233 WeakPolarHBondContact O-CD2 3.35Å; I229-Y233 PolarHBondContact O-N 2.85Å |
| 230 | F | 94.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 92.8 Ų | 92.8 | 39% | 0.386 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.9 | -74.4 | -8.7 | 0 | 0 | 0 | 111.8 | L226 E227 Y233 A234 W262 | L226-F230 HydrophobicContact CD1-CD1 4.17Å; L226-F230 HydrophobicContact CD1-CE1 3.5Å; L226-F230 HydrophobicContact CD1-CE2 4.24Å; L226-F230 HydrophobicContact CD1-CZ 3.55Å; L226-F230 HydrophobicContact CD2-CE2 3.95Å; L226-F230 HydrophobicContact CD2-CZ 3.84Å; L226-F230 HydrophobicContact CG-CD1 4.41Å; L226-F230 HydrophobicContact CG-CD2 4.24Å; L226-F230 HydrophobicContact CG-CE1 3.93Å; L226-F230 HydrophobicContact CG-CE2 3.75Å; L226-F230 HydrophobicContact CG-CZ 3.58Å; L226-F230 WeakPolarHBondContact O-CB 3.49Å; L226-F230 VanDerWaalsContact O-CG 3.3Å; L226-F230 WeakPolarHBondContact O-CG 3.34Å; L226-F230 PolarHBondContact O-N 2.87Å; E227-F230 PolarHBondContact O-N 3.46Å; F230-Y233 PolarHBondContact O-N 3.41Å; F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 3.4Å; F230-W262 AromaticContact CE1-CH2 3.74Å; F230-W262 HydrophobicContact CE1-CH2 3.74Å; F230-W262 AromaticContact CE1-CZ3 3.85Å; F230-W262 HydrophobicContact CE1-CZ3 3.85Å; F230-W262 HydrophobicContact CZ-CH2 4.25Å; F230-W262 AromaticContact CZ-CZ3 3.91Å; F230-W262 HydrophobicContact CZ-CZ3 3.91Å |
| 231 | Q | 96.3 | Very high | 94.7 | Very high | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.3 | -70.6 | 175 | 9.8 | 0 | 0 | 111.6 | E227 Q228 I229 Y233 A234 T235 | E227-Q231 WeakPolarHBondContact O-CG 3.36Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.1Å; Q228-Q231 PolarHBondContact O-N 2.97Å; I229-Q231 PolarHBondContact O-N 2.81Å; Q231-Y233 PolarHBondContact O-N 3.4Å; Q231-A234 PolarHBondContact O-N 3.22Å; Q231-T235 WeakPolarHBondContact O-CB 3.37Å; Q231-T235 PolarHBondContact O-N 3.46Å; Q231-T235 PolarHBondContact O-OG1 3.28Å |
| 232 | L | 96.3 | Very high | 94.9 | Very high | 116 Ų | 116 | 90.5 Ų | 90.5 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.6 | -50.4 | 178 | 178.8 | 66.1 | 0 | 0 | 0 | 112.3 | Q228 I229 T235 K236 | Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 PolarHBondContact O-N 3.31Å; I229-L232 PolarHBondContact O-N 3.03Å; L232-T235 PolarHBondContact O-N 3.5Å; L232-K236 PolarHBondContact O-N 3.31Å |
| 233 | Y | 95.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.8 | -33.5 | -178.6 | -86.7 | -96.9 | 0 | 0 | 0 | 112.5 | I229 F230 Q231 L237 L256 | I229-Y233 HydrophobicContact CG2-CD2 3.83Å; I229-Y233 HydrophobicContact CG2-CE2 4.04Å; I229-Y233 WeakPolarHBondContact O-CD2 3.35Å; I229-Y233 PolarHBondContact O-N 2.85Å; F230-Y233 PolarHBondContact O-N 3.41Å; Q231-Y233 PolarHBondContact O-N 3.4Å; Y233-L237 VanDerWaalsContact O-CB 3.27Å; Y233-L237 WeakPolarHBondContact O-CB 3.41Å; Y233-L237 PolarHBondContact O-N 3.07Å; Y233-L256 HydrophobicContact CD1-CD2 4.2Å |
| 234 | A | 95.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 88.1 Ų | 88.1 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | F230 Q231 L237 S238 | F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 3.4Å; Q231-A234 PolarHBondContact O-N 3.22Å; A234-L237 PolarHBondContact O-N 3.28Å; A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 3.42Å; A234-S238 PolarHBondContact O-OG 2.92Å |
| 235 | T | 96.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 91.5 Ų | 91.5 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | Q231 L232 L237 S238 E239 | Q231-T235 WeakPolarHBondContact O-CB 3.37Å; Q231-T235 PolarHBondContact O-N 3.46Å; Q231-T235 PolarHBondContact O-OG1 3.28Å; L232-T235 PolarHBondContact O-N 3.5Å; T235-L237 VanDerWaalsContact C-N 3.29Å; T235-L237 PolarHBondContact O-N 3.49Å; T235-S238 PolarHBondContact O-N 3.26Å; T235-S238 PolarHBondContact O-OG 2.97Å; T235-E239 HydrophobicContact CG2-CG 4.3Å; T235-E239 WeakPolarHBondContact CG2-OE1 3.36Å; T235-E239 WeakPolarHBondContact O-CB 2.88Å; T235-E239 WeakPolarHBondContact O-CG 3.28Å; T235-E239 PolarHBondContact O-N 3.23Å |
| 236 | K | 95.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.8 | -174.4 | 176.2 | -179.3 | 177.8 | 0 | 112.1 | L232 R240 | L232-K236 PolarHBondContact O-N 3.31Å; K236-R240 WeakPolarHBondContact O-CB 3.4Å; K236-R240 PolarHBondContact O-N 2.91Å |
| 237 | L | 96.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 96.1 Ų | 96.1 | 25% | 0.246 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 179.5 | -175.1 | 62.6 | 0 | 0 | 0 | 112 | Y233 A234 T235 N241 V254 L256 | Y233-L237 VanDerWaalsContact O-CB 3.27Å; Y233-L237 WeakPolarHBondContact O-CB 3.41Å; Y233-L237 PolarHBondContact O-N 3.07Å; A234-L237 PolarHBondContact O-N 3.28Å; T235-L237 VanDerWaalsContact C-N 3.29Å; T235-L237 PolarHBondContact O-N 3.49Å; L237-N241 WeakPolarHBondContact O-CB 3.25Å; L237-N241 VanDerWaalsContact O-CG 3.27Å; L237-N241 PolarHBondContact O-N 2.8Å; L237-N241 VanDerWaalsContact O-N 3.08Å; L237-N241 PolarHBondContact O-ND2 3.15Å; L237-V254 HydrophobicContact CD1-CB 4.4Å; L237-V254 HydrophobicContact CD1-CG2 4.49Å; L237-L256 HydrophobicContact CD2-CD1 4.2Å |
| 238 | S | 96.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 98.5 Ų | 98.5 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 179.3 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | A234 T235 R240 N241 L242 | A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 3.42Å; A234-S238 PolarHBondContact O-OG 2.92Å; T235-S238 PolarHBondContact O-N 3.26Å; T235-S238 PolarHBondContact O-OG 2.97Å; S238-R240 PolarHBondContact O-N 2.93Å; S238-N241 PolarHBondContact O-N 3.16Å; S238-L242 WeakPolarHBondContact O-CB 3.46Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.33Å; S238-L242 PolarHBondContact O-N 3.26Å |
| 239 | E | 95.9 | Very high | 95.8 | Very high | 126 Ų | 126 | 95.6 Ų | 95.6 | 59% | 0.589 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59 | -47.7 | 176.1 | -74.9 | 178.2 | 176.9 | 0 | 0 | 111.7 | T235 N241 L242 K243 | T235-E239 HydrophobicContact CG2-CG 4.3Å; T235-E239 WeakPolarHBondContact CG2-OE1 3.36Å; T235-E239 WeakPolarHBondContact O-CB 2.88Å; T235-E239 WeakPolarHBondContact O-CG 3.28Å; T235-E239 PolarHBondContact O-N 3.23Å; E239-N241 PolarHBondContact O-N 3.28Å; E239-L242 PolarHBondContact O-N 3.45Å; E239-K243 VanDerWaalsContact O-CB 3.29Å; E239-K243 WeakPolarHBondContact O-CB 3.3Å; E239-K243 PolarHBondContact O-N 3.14Å |
| 240 | R | 94.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 100.3 Ų | 100.3 | 22% | 0.219 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 177 | -178.5 | -93.2 | -73.6 | -179.8 | -12.5 | 111.6 | K236 S238 K243 S244 E252 | K236-R240 WeakPolarHBondContact O-CB 3.4Å; K236-R240 PolarHBondContact O-N 2.91Å; S238-R240 PolarHBondContact O-N 2.93Å; R240-K243 PolarHBondContact O-N 3.27Å; R240-S244 WeakPolarHBondContact O-CB 3.49Å; R240-S244 PolarHBondContact O-N 2.01Å; R240-S244 PolarHBondContact O-OG 2.74Å; R240-E252 PolarHBondContact NE-O 2.67Å |
| 241 | N | 95.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 99.9 Ų | 99.9 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | -179.4 | -76.8 | -19.2 | 0 | 0 | 0 | 112.5 | L237 S238 E239 F245 | L237-N241 WeakPolarHBondContact O-CB 3.25Å; L237-N241 VanDerWaalsContact O-CG 3.27Å; L237-N241 PolarHBondContact O-N 2.8Å; L237-N241 VanDerWaalsContact O-N 3.08Å; L237-N241 PolarHBondContact O-ND2 3.15Å; S238-N241 PolarHBondContact O-N 3.16Å; E239-N241 PolarHBondContact O-N 3.28Å; N241-F245 VanDerWaalsContact O-CB 3.26Å; N241-F245 WeakPolarHBondContact O-CB 3.43Å; N241-F245 PolarHBondContact O-N 3.07Å |
| 242 | L | 97.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 178.2 | -69.1 | 172.2 | 0 | 0 | 0 | 110.8 | S238 E239 F245 F246 | S238-L242 WeakPolarHBondContact O-CB 3.46Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.33Å; S238-L242 PolarHBondContact O-N 3.26Å; E239-L242 PolarHBondContact O-N 3.45Å; L242-F245 PolarHBondContact O-N 3.07Å; L242-F246 HydrophobicContact CD2-CE2 4.25Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3.04Å |
| 243 | K | 96.2 | Very high | 94.8 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -52.8 | 177.8 | -172.6 | 179.7 | 178.3 | -175 | 0 | 111.7 | E239 R240 F245 F246 E247 | E239-K243 VanDerWaalsContact O-CB 3.29Å; E239-K243 WeakPolarHBondContact O-CB 3.3Å; E239-K243 PolarHBondContact O-N 3.14Å; R240-K243 PolarHBondContact O-N 3.27Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 PolarHBondContact O-N 3.2Å; K243-F246 PolarHBondContact O-N 3.36Å; K243-E247 VanDerWaalsContact CE-CD 3.46Å; K243-E247 WeakPolarHBondContact CE-OE1 3.19Å; K243-E247 WeakPolarHBondContact CE-OE2 3.07Å; K243-E247 VanDerWaalsContact CG-CD 3.49Å; K243-E247 HydrophobicContact CG-CG 4.32Å; K243-E247 WeakPolarHBondContact CG-OE1 3.43Å; K243-E247 VanDerWaalsContact O-CB 3.3Å; K243-E247 WeakPolarHBondContact O-CB 2.75Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 3.08Å |
| 244 | S | 95.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 97.4 Ų | 97.4 | 11% | 0.112 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | R240 N248 T249 P251 | R240-S244 WeakPolarHBondContact O-CB 3.49Å; R240-S244 PolarHBondContact O-N 2.01Å; R240-S244 PolarHBondContact O-OG 2.74Å; S244-N248 WeakPolarHBondContact O-CA 3.39Å; S244-N248 PolarHBondContact O-N 2.86Å; S244-T249 WeakPolarHBondContact CA-OG1 3.01Å; S244-T249 WeakPolarHBondContact CB-O 3.4Å; S244-T249 PolarHBondContact O-N 3.45Å; S244-P251 WeakPolarHBondContact OG-CA 3.23Å |
| 245 | F | 96.4 | Very high | 94.2 | Very high | 156 Ų | 156 | 99.6 Ų | 99.6 | 68% | 0.684 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -48.9 | 176.8 | 179.6 | -99 | 0 | 0 | 0 | 112.6 | N241 L242 K243 N248 | N241-F245 VanDerWaalsContact O-CB 3.26Å; N241-F245 WeakPolarHBondContact O-CB 3.43Å; N241-F245 PolarHBondContact O-N 3.07Å; L242-F245 PolarHBondContact O-N 3.07Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 PolarHBondContact O-N 3.2Å; F245-N248 PolarHBondContact O-N 3.42Å |
| 246 | F | 97.4 | Very high | 93.9 | Very high | 160 Ų | 160 | 100.7 Ų | 100.7 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.6 | -30.5 | -177.8 | -76.9 | -69.9 | 0 | 0 | 0 | 113.4 | L242 K243 N248 | L242-F246 HydrophobicContact CD2-CE2 4.25Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3.04Å; K243-F246 PolarHBondContact O-N 3.36Å; F246-N248 VanDerWaalsContact C-N 3.35Å |
| 247 | E | 96.6 | Very high | 93.6 | Very high | 112 Ų | 112 | 98.3 Ų | 98.3 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -87.6 | -5.3 | 176.2 | -63.5 | 176.9 | -177.3 | 0 | 0 | 112.8 | K243 T249 | K243-E247 VanDerWaalsContact CE-CD 3.46Å; K243-E247 WeakPolarHBondContact CE-OE1 3.19Å; K243-E247 WeakPolarHBondContact CE-OE2 3.07Å; K243-E247 VanDerWaalsContact CG-CD 3.49Å; K243-E247 HydrophobicContact CG-CG 4.32Å; K243-E247 WeakPolarHBondContact CG-OE1 3.43Å; K243-E247 VanDerWaalsContact O-CB 3.3Å; K243-E247 WeakPolarHBondContact O-CB 2.75Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 3.08Å; E247-T249 VanDerWaalsContact C-N 3.28Å; E247-T249 HydrophobicContact CB-CG2 4.07Å; E247-T249 PolarHBondContact O-N 3.02Å |
| 248 | N | 93.4 | Very high | 93.3 | Very high | 154 Ų | 154 | 99.2 Ų | 99.2 | 82% | 0.824 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44 | -175.8 | -166 | 41.1 | 0 | 0 | 0 | 112.9 | S244 F245 F246 | S244-N248 WeakPolarHBondContact O-CA 3.39Å; S244-N248 PolarHBondContact O-N 2.86Å; F245-N248 PolarHBondContact O-N 3.42Å; F246-N248 VanDerWaalsContact C-N 3.35Å |
| 249 | T | 94.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 103 Ų | 103 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | trans | -108.3 | 154.6 | 179.7 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | S244 E247 | S244-T249 WeakPolarHBondContact CA-OG1 3.01Å; S244-T249 WeakPolarHBondContact CB-O 3.4Å; S244-T249 PolarHBondContact O-N 3.45Å; E247-T249 VanDerWaalsContact C-N 3.28Å; E247-T249 HydrophobicContact CB-CG2 4.07Å; E247-T249 PolarHBondContact O-N 3.02Å | ||
| 250 | E | 91.9 | Very high | 92.1 | Very high | 185 Ų | 185 | 101.8 Ų | 101.8 | 86% | 0.864 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 135.8 | 172.7 | -71.5 | -169.3 | 169.3 | 0 | 0 | 110.8 | ||
| 251 | P | 91.8 | Very high | 91.7 | Very high | 79 Ų | 79 | 100.2 Ų | 100.2 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 133.6 | -175.1 | 28.7 | -33.5 | 0 | 0 | 0 | 112.8 | S244 | S244-P251 WeakPolarHBondContact OG-CA 3.23Š|
| 252 | E | 89.5 | Confident | 91.2 | Very high | 155 Ų | 155 | 102 Ų | 102 | 72% | 0.724 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -65 | 141.1 | 171 | -68 | -179.4 | -174 | 0 | 0 | 112.1 | R240 V254 | R240-E252 PolarHBondContact NE-O 2.67Å; E252-V254 PolarHBondContact O-N 3.23Å |
| 253 | A | 89.2 | Confident | 90.5 | Very high | 101 Ų | 101 | 99 Ų | 99 | 84% | 0.835 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -68 | 121.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 254 | V | 89.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 93.6 Ų | 93.6 | 15% | 0.145 | 50% | 0.497 | C | S | . | . | trans | -103.8 | 113.7 | 171.5 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | L237 E252 L256 | L237-V254 HydrophobicContact CD1-CB 4.4Å; L237-V254 HydrophobicContact CD1-CG2 4.49Å; E252-V254 PolarHBondContact O-N 3.23Å; V254-L256 PolarHBondContact O-N 3.23Å | ||
| 255 | P | 88.1 | Confident | 89.2 | Confident | 105 Ų | 105 | 94 Ų | 94 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | trans | -68.3 | 121.6 | -179.1 | 27.6 | -32.9 | 0 | 0 | 0 | 109.5 | ||||
| 256 | L | 90.5 | Very high | 88.5 | Confident | 92 Ų | 92 | 89 Ų | 89 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | trans | -120.6 | 151.7 | 173 | -68 | 174.8 | 0 | 0 | 0 | 109.3 | Y233 L237 V254 A258 | Y233-L256 HydrophobicContact CD1-CD2 4.2Å; L237-L256 HydrophobicContact CD2-CD1 4.2Å; V254-L256 PolarHBondContact O-N 3.23Å; L256-A258 PolarHBondContact O-N 3.29Å | ||
| 257 | P | 89.6 | Confident | 87.4 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | trans | -58.9 | 141.6 | 175.1 | -18 | 29.2 | 0 | 0 | 0 | 110.8 | A261 W262 | P257-A261 HydrophobicContact CB-CB 3.98Å; P257-W262 HydrophobicContact CB-CZ2 4.43Å; P257-W262 HydrophobicContact CG-CZ2 3.85Å; P257-W262 PolarHBondContact O-NE1 3.2Å; P257-W262 VanDerWaalsContact O-NE1 3.13Å | ||
| 258 | A | 89.4 | Confident | 86.1 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | trans | -63.2 | 157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L256 Q260 A261 W262 | L256-A258 PolarHBondContact O-N 3.29Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.26Å; A258-Q260 VanDerWaalsContact O-N 3.17Å; A258-A261 WeakPolarHBondContact O-CB 3.31Å; A258-A261 PolarHBondContact O-N 2.86Å; A258-W262 PolarHBondContact O-N 2.92Å | ||
| 259 | F | 84.3 | Confident | 85.1 | Confident | 136 Ų | 136 | 73.1 Ų | 73.1 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -50.1 | -44.1 | -179.4 | 178.2 | -99.9 | 0 | 0 | 0 | 113.3 | V82 A261 W262 E263 | V82-F259 HydrophobicContact CG1-CZ 4.4Å; F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.38Å; F259-W262 WeakPolarHBondContact O-CB 3.37Å; F259-W262 PolarHBondContact O-N 2.88Å; F259-W262 VanDerWaalsContact O-N 3.16Å; F259-E263 HydrophobicContact CD1-CG 4.49Å; F259-E263 HydrophobicContact CE1-CG 3.86Å; F259-E263 HydrophobicContact CE2-CG 4.46Å; F259-E263 HydrophobicContact CZ-CG 3.84Å; F259-E263 PolarHBondContact O-N 3.47Å; F259-E263 VanDerWaalsContact O-N 3.16Å |
| 260 | Q | 82.7 | Confident | 83.7 | Confident | 101 Ų | 101 | 71.1 Ų | 71.1 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 179.9 | -170.1 | 59.5 | 39.2 | 0 | 0 | 112.7 | A258 W262 E263 D264 | A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.26Å; A258-Q260 VanDerWaalsContact O-N 3.17Å; Q260-W262 VanDerWaalsContact C-N 3.32Å; Q260-W262 PolarHBondContact O-N 3.47Å; Q260-E263 PolarHBondContact O-N 2.88Å; Q260-D264 PolarHBondContact NE2-OD1 2.87Å; Q260-D264 PolarHBondContact NE2-OD2 3.32Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 VanDerWaalsContact O-CG 3.22Å; Q260-D264 PolarHBondContact O-N 3.37Å |
| 261 | A | 85.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P257 A258 F259 A265 | P257-A261 HydrophobicContact CB-CB 3.98Å; A258-A261 WeakPolarHBondContact O-CB 3.31Å; A258-A261 PolarHBondContact O-N 2.86Å; F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.38Å; A261-A265 VanDerWaalsContact O-CB 3.29Å; A261-A265 WeakPolarHBondContact O-CB 3.48Å; A261-A265 PolarHBondContact O-N 3.49Å |
| 262 | W | 86.3 | Confident | 81.4 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 176.6 | -71 | 105.9 | 0 | 0 | 0 | 112.1 | F230 P257 A258 F259 Q260 S266 | F230-W262 AromaticContact CE1-CH2 3.74Å; F230-W262 HydrophobicContact CE1-CH2 3.74Å; F230-W262 AromaticContact CE1-CZ3 3.85Å; F230-W262 HydrophobicContact CE1-CZ3 3.85Å; F230-W262 HydrophobicContact CZ-CH2 4.25Å; F230-W262 AromaticContact CZ-CZ3 3.91Å; F230-W262 HydrophobicContact CZ-CZ3 3.91Å; P257-W262 HydrophobicContact CB-CZ2 4.43Å; P257-W262 HydrophobicContact CG-CZ2 3.85Å; P257-W262 PolarHBondContact O-NE1 3.2Å; P257-W262 VanDerWaalsContact O-NE1 3.13Å; A258-W262 PolarHBondContact O-N 2.92Å; F259-W262 WeakPolarHBondContact O-CB 3.37Å; F259-W262 PolarHBondContact O-N 2.88Å; F259-W262 VanDerWaalsContact O-N 3.16Å; Q260-W262 VanDerWaalsContact C-N 3.32Å; Q260-W262 PolarHBondContact O-N 3.47Å; W262-S266 WeakPolarHBondContact O-CB 3.25Å; W262-S266 PolarHBondContact O-N 3.48Å; W262-S266 PolarHBondContact O-OG 3.07Å |
| 263 | E | 81.9 | Confident | 80.2 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.1 | -80.8 | -54.4 | 131.1 | 0 | 0 | 112.2 | K86 F259 Q260 S266 Q267 | K86-E263 IonicContact NZ-OE2 3.76Å; K86-E263 PolarHBondContact NZ-OE2 2.98Å; F259-E263 HydrophobicContact CD1-CG 4.49Å; F259-E263 HydrophobicContact CE1-CG 3.86Å; F259-E263 HydrophobicContact CE2-CG 4.46Å; F259-E263 HydrophobicContact CZ-CG 3.84Å; F259-E263 PolarHBondContact O-N 3.47Å; F259-E263 VanDerWaalsContact O-N 3.16Å; Q260-E263 PolarHBondContact O-N 2.88Å; E263-S266 PolarHBondContact O-N 2.04Å; E263-Q267 PolarHBondContact O-N 3.33Å |
| 264 | D | 80.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 179.3 | -68 | -26 | 0 | 0 | 0 | 111.7 | Q260 S266 Q267 T280 L284 I292 | Q260-D264 PolarHBondContact NE2-OD1 2.87Å; Q260-D264 PolarHBondContact NE2-OD2 3.32Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 VanDerWaalsContact O-CG 3.22Å; Q260-D264 PolarHBondContact O-N 3.37Å; D264-S266 PolarHBondContact O-N 3.45Å; D264-Q267 WeakPolarHBondContact O-CG 3.42Å; D264-Q267 PolarHBondContact O-N 3.05Å; D264-Q267 PolarHBondContact OD1-NE2 3.45Å; D264-T280 WeakPolarHBondContact O-CG2 3.41Å; D264-L284 HydrophobicContact CB-CD1 4.03Å; D264-L284 HydrophobicContact CB-CD2 3.87Å; D264-I292 HydrophobicContact CB-CD1 4.01Å |
| 265 | A | 84.8 | Confident | 78.1 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -25.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A261 I281 L284 | A261-A265 VanDerWaalsContact O-CB 3.29Å; A261-A265 WeakPolarHBondContact O-CB 3.48Å; A261-A265 PolarHBondContact O-N 3.49Å; A265-I281 HydrophobicContact CB-CG1 4.16Å; A265-L284 HydrophobicContact CB-CD1 3.78Å; A265-L284 VanDerWaalsContact N-CD1 3.32Å |
| 266 | S | 80.8 | Confident | 77.6 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.7 | -177.4 | -61.5 | 0 | 0 | 0 | 0 | 114 | K86 W262 E263 D264 | K86-S266 VanDerWaalsContact CE-O 3.3Å; K86-S266 WeakPolarHBondContact CE-O 3.31Å; W262-S266 WeakPolarHBondContact O-CB 3.25Å; W262-S266 PolarHBondContact O-N 3.48Å; W262-S266 PolarHBondContact O-OG 3.07Å; E263-S266 PolarHBondContact O-N 2.04Å; D264-S266 PolarHBondContact O-N 3.45Å |
| 267 | Q | 74.9 | Confident | 77.4 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -64.8 | 154.3 | 177 | -63.8 | -179.9 | 9.8 | 0 | 0 | 112.2 | K86 E263 D264 Y269 T280 | K86-Q267 HydrophobicContact CG-CG 4.43Å; E263-Q267 PolarHBondContact O-N 3.33Å; D264-Q267 WeakPolarHBondContact O-CG 3.42Å; D264-Q267 PolarHBondContact O-N 3.05Å; D264-Q267 PolarHBondContact OD1-NE2 3.45Å; Q267-Y269 PolarHBondContact O-N 3.36Å; Q267-T280 HydrophobicContact CB-CG2 4.29Å; Q267-T280 PolarHBondContact O-OG1 3.22Å |
| 268 | L | 68.9 | Low | 77.1 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 125.8 | 171.5 | -77.4 | 162.2 | 0 | 0 | 0 | 109.4 | L76 F302 | L76-L268 HydrophobicContact CD1-CD1 3.71Å; L268-F302 HydrophobicContact CB-CZ 4.12Å; L268-F302 HydrophobicContact CD2-CE2 4.35Å; L268-F302 HydrophobicContact CD2-CZ 3.72Å; L268-F302 HydrophobicContact CG-CZ 4.5Å |
| 269 | Y | 71.8 | Confident | 77 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 140.4 | -179.5 | -177.2 | -101.8 | 0 | 0 | 0 | 111.3 | W215 Q267 F271 H277 S279 F302 | W215-Y269 HydrophobicContact CH2-CD1 4.14Å; W215-Y269 AromaticContact CH2-CE1 3.7Å; W215-Y269 HydrophobicContact CH2-CE1 3.7Å; W215-Y269 AromaticContact CZ2-CD1 3.53Å; W215-Y269 HydrophobicContact CZ2-CD1 3.53Å; W215-Y269 AromaticContact CZ2-CE1 3.25Å; W215-Y269 HydrophobicContact CZ2-CE1 3.25Å; Q267-Y269 PolarHBondContact O-N 3.36Å; Y269-F271 HydrophobicContact CE1-CB 4.25Å; Y269-H277 HydrophobicContact CE2-CB 4.35Å; Y269-H277 PolarHBondContact OH-O 3.32Å; Y269-S279 VanDerWaalsContact CD2-C 3.41Å; Y269-F302 WeakPolarHBondContact O-CE1 3.38Å; Y269-F302 WeakPolarHBondContact O-CZ 3.48Å |
| 270 | S | 66.1 | Low | 77 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | trans | -132.9 | 127.2 | 171.8 | 61.2 | 0 | 0 | 0 | 0 | 109.4 | L300 | S270-L300 VanDerWaalsContact CB-CD1 3.49Š| ||
| 271 | F | 68.1 | Low | 77.3 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | trans | -68.9 | 132.9 | 177.8 | -170.1 | -100.6 | 0 | 0 | 0 | 112.2 | K206 V207 W215 Y269 D301 | K206-F271 HydrophobicContact CB-CD1 4.45Å; V207-F271 HydrophobicContact CG1-CD1 3.69Å; V207-F271 HydrophobicContact CG1-CD2 4.34Å; V207-F271 HydrophobicContact CG1-CE1 3.27Å; V207-F271 HydrophobicContact CG1-CE2 3.99Å; V207-F271 HydrophobicContact CG1-CG 4.21Å; V207-F271 HydrophobicContact CG1-CZ 3.45Å; V207-F271 VanDerWaalsContact CG1-CZ 3.45Å; W215-F271 AromaticContact CE3-CD2 3.99Å; W215-F271 HydrophobicContact CE3-CD2 3.99Å; W215-F271 HydrophobicContact CE3-CE2 4.44Å; W215-F271 HydrophobicContact CH2-CB 3.59Å; W215-F271 AromaticContact CH2-CD2 3.91Å; W215-F271 HydrophobicContact CH2-CD2 3.91Å; W215-F271 HydrophobicContact CH2-CG 4.06Å; W215-F271 HydrophobicContact CZ3-CB 3.72Å; W215-F271 AromaticContact CZ3-CD2 3.51Å; W215-F271 HydrophobicContact CZ3-CD2 3.51Å; W215-F271 HydrophobicContact CZ3-CE2 4.35Å; W215-F271 AromaticContact CZ3-CG 3.72Å; W215-F271 HydrophobicContact CZ3-CG 3.72Å; Y269-F271 HydrophobicContact CE1-CB 4.25Å; F271-D301 HydrophobicContact CB-CB 3.84Å | ||
| 272 | N | 67.9 | Low | 77.4 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | trans | -113.4 | 129 | 170.5 | -172.5 | -6.7 | 0 | 0 | 0 | 109.1 | G274 E275 | N272-G274 VanDerWaalsContact C-N 3.3Å; N272-G274 PolarHBondContact O-N 3.38Å; N272-G274 PolarHBondContact OD1-N 3Å; N272-E275 CarbonylContact O-C 3.35Å | ||
| 273 | S | 63.3 | Low | 77.4 | Confident | 86 Ų | 86 | 42.1 Ų | 42.1 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -73.7 | -21.6 | 179 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 274 | G | 66.1 | Low | 77.5 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 68% | 0.68 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -76.5 | -24.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N272 | N272-G274 VanDerWaalsContact C-N 3.3Å; N272-G274 PolarHBondContact O-N 3.38Å; N272-G274 PolarHBondContact OD1-N 3Å |
| 275 | E | 67.8 | Low | 77.9 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -139.9 | 108.1 | -177.4 | -67.1 | 172.1 | 156.9 | 0 | 0 | 109.1 | N272 H277 K287 | N272-E275 CarbonylContact O-C 3.35Å; E275-H277 VanDerWaalsContact C-N 3.27Å; E275-H277 PolarHBondContact O-N 2.76Å; E275-K287 VanDerWaalsContact OE1-CE 3.24Å; E275-K287 WeakPolarHBondContact OE1-CE 3.13Å; E275-K287 IonicContact OE1-NZ 2.84Å; E275-K287 PolarHBondContact OE1-NZ 3.17Å; E275-K287 WeakPolarHBondContact OE2-CE 3.35Å; E275-K287 IonicContact OE2-NZ 3.63Å; E275-K287 PolarHBondContact OE2-NZ 3.38Å |
| 276 | Q | 79 | Confident | 77.9 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | trans | -80.1 | 68.3 | -169.3 | -63.1 | -173.4 | -2.5 | 0 | 0 | 112.8 | ||||
| 277 | H | 85.5 | Confident | 77.8 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | trans | -86.6 | 156 | 168 | -51.8 | -60.6 | 0 | 0 | 0 | 110.6 | Y269 E275 H282 R283 E286 | Y269-H277 HydrophobicContact CE2-CB 4.35Å; Y269-H277 PolarHBondContact OH-O 3.32Å; E275-H277 VanDerWaalsContact C-N 3.27Å; E275-H277 PolarHBondContact O-N 2.76Å; H277-H282 AromaticContact ND1-CD2 3.96Å; H277-H282 AromaticContact ND1-NE2 4Å; H277-R283 HydrophobicContact CB-CB 4.03Å; H277-E286 IonicContact CE1-OE2 3.61Å; H277-E286 PolarHBondContact CE1-OE2 3.05Å; H277-E286 IonicContact ND1-OE2 3.86Å; H277-E286 PolarHBondContact ND1-OE2 2.89Å | ||
| 278 | Y | 84.1 | Confident | 77.4 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 11% | 0.114 | 29% | 0.291 | C | S | . | . | trans | -122.2 | -8.1 | -177.8 | -62.5 | -70.6 | 0 | 0 | 0 | 113 | Q211 F214 W215 Y218 H282 | Q211-Y278 HydrophobicContact CG-CE1 4.32Å; F214-Y278 HydrophobicContact CD1-CE1 4.13Å; F214-Y278 HydrophobicContact CD1-CE2 4.35Å; F214-Y278 HydrophobicContact CE1-CD2 4.04Å; F214-Y278 HydrophobicContact CE1-CE1 4.3Å; F214-Y278 AromaticContact CE1-CE2 3.74Å; F214-Y278 HydrophobicContact CE1-CE2 3.74Å; F214-Y278 HydrophobicContact CE1-CG 4.48Å; F214-Y278 AromaticContact CE1-CZ 3.88Å; W215-Y278 HydrophobicContact CB-CD1 3.83Å; W215-Y278 HydrophobicContact CB-CE1 4.27Å; W215-Y278 AromaticContact CD1-CD1 3.78Å; W215-Y278 HydrophobicContact CD2-CD1 4.09Å; W215-Y278 AromaticContact CG-CD1 3.65Å; W215-Y278 HydrophobicContact CG-CD1 3.65Å; W215-Y278 HydrophobicContact CG-CE1 4.46Å; W215-Y278 PolarHBondContact NE1-O 3.25Å; Y218-Y278 VanDerWaalsContact CD1-CB 3.43Å; Y218-Y278 HydrophobicContact CD1-CG 4.45Å; Y278-H282 AromaticContact CD2-CE1 3.81Å; Y278-H282 AromaticContact CD2-ND1 3.82Å; Y278-H282 PolarHBondContact N-ND1 3.21Å | ||
| 279 | S | 85.9 | Confident | 76.8 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -153.2 | 167.4 | 173.1 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | E222 Y269 I281 H282 R283 | E222-S279 VanDerWaalsContact OE1-CB 3.28Å; E222-S279 WeakPolarHBondContact OE1-CB 3.27Å; E222-S279 PolarHBondContact OE1-OG 3.43Å; E222-S279 WeakPolarHBondContact OE2-CB 3.45Å; E222-S279 PolarHBondContact OE2-OG 3.21Å; Y269-S279 VanDerWaalsContact CD2-C 3.41Å; S279-I281 VanDerWaalsContact C-N 3.28Å; S279-I281 PolarHBondContact O-N 3.39Å; S279-I281 PolarHBondContact OG-N 2.87Å; S279-H282 PolarHBondContact O-N 3.23Å; S279-H282 VanDerWaalsContact OG-CB 3.3Å; S279-H282 WeakPolarHBondContact OG-CB 3.28Å; S279-H282 PolarHBondContact OG-N 2.98Å; S279-R283 PolarHBondContact O-N 3.16Å; S279-R283 VanDerWaalsContact O-N 3.12Å |
| 280 | T | 84.9 | Confident | 75.7 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 173.5 | -45 | 0 | 0 | 0 | 0 | 111 | D264 Q267 R283 L284 | D264-T280 WeakPolarHBondContact O-CG2 3.41Å; Q267-T280 HydrophobicContact CB-CG2 4.29Å; Q267-T280 PolarHBondContact O-OG1 3.22Å; T280-R283 PolarHBondContact O-N 2.98Å; T280-L284 HydrophobicContact CG2-CD1 4.29Å; T280-L284 VanDerWaalsContact O-CG 3.23Å; T280-L284 WeakPolarHBondContact O-CG 3.45Å; T280-L284 PolarHBondContact O-N 2.81Å |
| 281 | I | 88.3 | Confident | 74.7 | Confident | 63 Ų | 63 | 69 Ų | 69 | 32% | 0.323 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 178.3 | -64.2 | 174.5 | 0 | 0 | 0 | 110.2 | L226 A265 S279 R283 L284 V285 | L226-I281 HydrophobicContact CD1-CD1 4.47Å; A265-I281 HydrophobicContact CB-CG1 4.16Å; S279-I281 VanDerWaalsContact C-N 3.28Å; S279-I281 PolarHBondContact O-N 3.39Å; S279-I281 PolarHBondContact OG-N 2.87Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.93Å; I281-L284 PolarHBondContact O-N 3.16Å; I281-L284 VanDerWaalsContact O-N 3.11Å; I281-V285 HydrophobicContact CG2-CG2 4.36Å; I281-V285 WeakPolarHBondContact O-CG2 3.44Å; I281-V285 PolarHBondContact O-N 2.64Å |
| 282 | H | 88.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.4 | -50.3 | 175.1 | -176.5 | 179.4 | 0 | 0 | 0 | 111.1 | H277 Y278 S279 L284 V285 E286 | H277-H282 AromaticContact ND1-CD2 3.96Å; H277-H282 AromaticContact ND1-NE2 4Å; Y278-H282 AromaticContact CD2-CE1 3.81Å; Y278-H282 AromaticContact CD2-ND1 3.82Å; Y278-H282 PolarHBondContact N-ND1 3.21Å; S279-H282 PolarHBondContact O-N 3.23Å; S279-H282 VanDerWaalsContact OG-CB 3.3Å; S279-H282 WeakPolarHBondContact OG-CB 3.28Å; S279-H282 PolarHBondContact OG-N 2.98Å; H282-L284 VanDerWaalsContact C-N 3.32Å; H282-L284 PolarHBondContact O-N 3.36Å; H282-V285 PolarHBondContact O-N 2.84Å; H282-E286 IonicContact CD2-OE1 3.22Å; H282-E286 IonicContact CD2-OE2 3.23Å; H282-E286 IonicContact NE2-OE1 2.74Å; H282-E286 PolarHBondContact NE2-OE1 2.9Å; H282-E286 IonicContact NE2-OE2 2.72Å; H282-E286 PolarHBondContact NE2-OE2 3.07Å; H282-E286 PolarHBondContact O-N 3.06Å; H282-E286 VanDerWaalsContact O-N 3.1Å |
| 283 | R | 85.4 | Confident | 72.5 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 19% | 0.185 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 177.6 | -175.5 | 178 | 67.7 | -177.2 | 4.8 | 112.7 | H277 S279 T280 I281 K287 | H277-R283 HydrophobicContact CB-CB 4.03Å; S279-R283 PolarHBondContact O-N 3.16Å; S279-R283 VanDerWaalsContact O-N 3.12Å; T280-R283 PolarHBondContact O-N 2.98Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.93Å; R283-K287 HydrophobicContact CG-CD 4.18Å; R283-K287 WeakPolarHBondContact O-CB 3.23Å; R283-K287 PolarHBondContact O-N 3.47Å |
| 284 | L | 85.6 | Confident | 71.3 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.4 | -36.1 | -179.3 | -71.9 | 168.2 | 0 | 0 | 0 | 113.2 | D264 A265 T280 I281 H282 G288 I292 | D264-L284 HydrophobicContact CB-CD1 4.03Å; D264-L284 HydrophobicContact CB-CD2 3.87Å; A265-L284 HydrophobicContact CB-CD1 3.78Å; A265-L284 VanDerWaalsContact N-CD1 3.32Å; T280-L284 HydrophobicContact CG2-CD1 4.29Å; T280-L284 VanDerWaalsContact O-CG 3.23Å; T280-L284 WeakPolarHBondContact O-CG 3.45Å; T280-L284 PolarHBondContact O-N 2.81Å; I281-L284 PolarHBondContact O-N 3.16Å; I281-L284 VanDerWaalsContact O-N 3.11Å; H282-L284 VanDerWaalsContact C-N 3.32Å; H282-L284 PolarHBondContact O-N 3.36Å; L284-G288 WeakPolarHBondContact O-CA 3.36Å; L284-G288 PolarHBondContact O-N 3.35Å; L284-I292 HydrophobicContact CD2-CD1 3.38Å; L284-I292 HydrophobicContact CD2-CG1 4.38Å |
| 285 | V | 88.3 | Confident | 69.9 | Low | 118 Ų | 118 | 79.9 Ų | 79.9 | 72% | 0.715 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.8 | -41.7 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I281 H282 | I281-V285 HydrophobicContact CG2-CG2 4.36Å; I281-V285 WeakPolarHBondContact O-CG2 3.44Å; I281-V285 PolarHBondContact O-N 2.64Å; H282-V285 PolarHBondContact O-N 2.84Å |
| 286 | E | 85.4 | Confident | 68.5 | Low | 123 Ų | 123 | 85.6 Ų | 85.6 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -77.1 | -37.5 | -178.1 | -71 | -168.3 | 150.5 | 0 | 0 | 113.7 | H277 H282 | H277-E286 IonicContact CE1-OE2 3.61Å; H277-E286 PolarHBondContact CE1-OE2 3.05Å; H277-E286 IonicContact ND1-OE2 3.86Å; H277-E286 PolarHBondContact ND1-OE2 2.89Å; H282-E286 IonicContact CD2-OE1 3.22Å; H282-E286 IonicContact CD2-OE2 3.23Å; H282-E286 IonicContact NE2-OE1 2.74Å; H282-E286 PolarHBondContact NE2-OE1 2.9Å; H282-E286 IonicContact NE2-OE2 2.72Å; H282-E286 PolarHBondContact NE2-OE2 3.07Å; H282-E286 PolarHBondContact O-N 3.06Å; H282-E286 VanDerWaalsContact O-N 3.1Å |
| 287 | K | 78.2 | Confident | 66.5 | Low | 67 Ų | 67 | 88.8 Ų | 88.8 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -91.5 | -18.2 | -178.3 | -67 | -166.8 | 164.6 | -132.1 | 0 | 115 | E275 R283 E291 | E275-K287 VanDerWaalsContact OE1-CE 3.24Å; E275-K287 WeakPolarHBondContact OE1-CE 3.13Å; E275-K287 IonicContact OE1-NZ 2.84Å; E275-K287 PolarHBondContact OE1-NZ 3.17Å; E275-K287 WeakPolarHBondContact OE2-CE 3.35Å; E275-K287 IonicContact OE2-NZ 3.63Å; E275-K287 PolarHBondContact OE2-NZ 3.38Å; R283-K287 HydrophobicContact CG-CD 4.18Å; R283-K287 WeakPolarHBondContact O-CB 3.23Å; R283-K287 PolarHBondContact O-N 3.47Å; K287-E291 IonicContact NZ-OE2 2.7Å |
| 288 | G | 66.8 | Low | 64.1 | Low | 32 Ų | 32 | 90.9 Ų | 90.9 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | trans | 65.9 | 172.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L284 K290 | L284-G288 WeakPolarHBondContact O-CA 3.36Å; L284-G288 PolarHBondContact O-N 3.35Å; G288-K290 PolarHBondContact O-N 2.78Å; G288-K290 VanDerWaalsContact O-N 3.17Å | ||
| 289 | Q | 56.2 | Low | 61.8 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.8 | -174.7 | -76.3 | 178 | -37.8 | 0 | 0 | 115.1 | ||
| 290 | K | 48.3 | Very low | 59.6 | Low | 205 Ų | 205 | 94.9 Ų | 94.9 | 89% | 0.891 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -18.8 | -164.2 | -74.5 | -177.1 | 176.5 | 179.2 | 0 | 115.6 | G288 | G288-K290 PolarHBondContact O-N 2.78Å; G288-K290 VanDerWaalsContact O-N 3.17Å |
| 291 | E | 45.1 | Very low | 57.4 | Low | 119 Ų | 119 | 95.2 Ų | 95.2 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -103.7 | 2.4 | -171.7 | -69.8 | -170.9 | 170.1 | 0 | 0 | 115.5 | K287 G293 | K287-E291 IonicContact NZ-OE2 2.7Å; E291-G293 PolarHBondContact O-N 2.91Å; E291-G293 VanDerWaalsContact O-N 3.14Å |
| 292 | I | 49.9 | Very low | 55.2 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 35% | 0.354 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.7 | -173.2 | -50.9 | 170.4 | 0 | 0 | 0 | 112.3 | D264 L284 | D264-I292 HydrophobicContact CB-CD1 4.01Å; L284-I292 HydrophobicContact CD2-CD1 3.38Å; L284-I292 HydrophobicContact CD2-CG1 4.38Å |
| 293 | G | 39.4 | Very low | 53 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 79% | 0.794 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -22.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E291 | E291-G293 PolarHBondContact O-N 2.91Å; E291-G293 VanDerWaalsContact O-N 3.14Å |
| 294 | E | 38.9 | Very low | 50.7 | Low | 170 Ų | 170 | 96 Ų | 96 | 79% | 0.794 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -134.3 | 123.6 | -168.2 | -69.3 | -177.1 | 160.5 | 0 | 0 | 111.1 | ||
| 295 | E | 36.8 | Very low | 48.5 | Very low | 155 Ų | 155 | 98.9 Ų | 98.9 | 72% | 0.724 | 50% | 0.499 | S | S | * | . | trans | 74.1 | 138 | 169.6 | -56.5 | -169.7 | 153.9 | 0 | 0 | 116.5 | ||||
| 296 | R | 39 | Very low | 46.1 | Very low | 199 Ų | 199 | 100 Ų | 100 | 75% | 0.751 | 49% | 0.49 | S | S | * | . | cis | -167.6 | 169 | 17.9 | -128.5 | 175.6 | -109.1 | -161.2 | -7.2 | 109.1 | T298 | R296-T298 PolarHBondContact O-N 2.97Š| ||
| 297 | E | 35.6 | Very low | 43.4 | Very low | 185 Ų | 185 | 98.8 Ų | 98.8 | 86% | 0.864 | 49% | 0.485 | S | S | * | . | trans | -19.4 | 109.5 | 178.1 | -69.8 | 176.6 | 145.3 | 0 | 0 | 117.8 | V299 | E297-V299 PolarHBondContact O-N 3.42Š| ||
| 298 | T | 36.3 | Very low | 41.2 | Very low | 55 Ų | 55 | 98.5 Ų | 98.5 | 34% | 0.337 | 49% | 0.486 | S | S | . | . | trans | -69.1 | 102.8 | 172.8 | 40.1 | 0 | 0 | 0 | 0 | 112.4 | N92 R296 | N92-T298 PolarHBondContact ND2-O 2.79Å; N92-T298 PolarHBondContact ND2-OG1 2.95Å; R296-T298 PolarHBondContact O-N 2.97Å | ||
| 299 | V | 34.5 | Very low | 39.7 | Very low | 89 Ų | 89 | 105 Ų | 105 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | trans | -127 | 115.5 | 158.3 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | K206 E297 | K206-V299 PolarHBondContact NZ-O 3.49Å; K206-V299 VanDerWaalsContact NZ-O 3.14Å; E297-V299 PolarHBondContact O-N 3.42Å | ||
| 300 | L | 41 | Very low | 38.8 | Very low | 33 Ų | 33 | 104.6 Ų | 104.6 | 17% | 0.173 | 52% | 0.522 | C | S | . | . | trans | -85.8 | 141.2 | -163.2 | -123.3 | 73.8 | 0 | 0 | 0 | 114.6 | H95 V99 S270 F302 | H95-L300 WeakPolarHBondContact CD2-CD1 3.5Å; H95-L300 VanDerWaalsContact CD2-CD2 3.46Å; H95-L300 WeakPolarHBondContact CD2-CD2 3.32Å; H95-L300 WeakPolarHBondContact NE2-CD1 3.33Å; H95-L300 WeakPolarHBondContact NE2-CD2 3.4Å; V99-L300 HydrophobicContact CG2-CD2 4Å; S270-L300 VanDerWaalsContact CB-CD1 3.49Å; L300-F302 HydrophobicContact CD2-CD2 3.26Å; L300-F302 HydrophobicContact CD2-CE2 3.05Å; L300-F302 HydrophobicContact CD2-CG 4.3Å; L300-F302 HydrophobicContact CD2-CZ 3.96Å; L300-F302 HydrophobicContact CG-CD2 4.17Å; L300-F302 HydrophobicContact CG-CE2 4.06Å | ||
| 301 | D | 38.1 | Very low | 38.3 | Very low | 14 Ų | 14 | 99.3 Ų | 99.3 | 8% | 0.075 | 50% | 0.502 | C | S | . | . | trans | -124.7 | 126 | 157.2 | -155.9 | -15.3 | 0 | 0 | 0 | 107.9 | S205 K206 W215 F271 | S205-D301 PolarHBondContact OG-OD2 2.67Å; K206-D301 PolarHBondContact N-OD2 2.67Å; W215-D301 HydrophobicContact CH2-CB 4.48Å; W215-D301 HydrophobicContact CZ3-CB 4.45Å; F271-D301 HydrophobicContact CB-CB 3.84Å | ||
| 302 | F | 41.6 | Very low | 38 | Very low | 46 Ų | 46 | 98.2 Ų | 98.2 | 20% | 0.202 | 50% | 0.499 | C | S | . | . | trans | -123.8 | 117.4 | 177.9 | -93.9 | -50.6 | 0 | 0 | 0 | 109.6 | V99 R102 L268 Y269 L300 D304 | V99-F302 HydrophobicContact CG2-CD2 4.35Å; V99-F302 HydrophobicContact CG2-CE2 3.73Å; R102-F302 PolarHBondContact NH1-O 3.32Å; L268-F302 HydrophobicContact CB-CZ 4.12Å; L268-F302 HydrophobicContact CD2-CE2 4.35Å; L268-F302 HydrophobicContact CD2-CZ 3.72Å; L268-F302 HydrophobicContact CG-CZ 4.5Å; Y269-F302 WeakPolarHBondContact O-CE1 3.38Å; Y269-F302 WeakPolarHBondContact O-CZ 3.48Å; L300-F302 HydrophobicContact CD2-CD2 3.26Å; L300-F302 HydrophobicContact CD2-CE2 3.05Å; L300-F302 HydrophobicContact CD2-CG 4.3Å; L300-F302 HydrophobicContact CD2-CZ 3.96Å; L300-F302 HydrophobicContact CG-CD2 4.17Å; L300-F302 HydrophobicContact CG-CE2 4.06Å; F302-D304 PolarHBondContact O-N 3.21Å | ||
| 303 | V | 41.9 | Very low | 37.2 | Very low | 20 Ų | 20 | 99.9 Ų | 99.9 | 12% | 0.121 | 51% | 0.508 | C | S | . | . | trans | -95.7 | 89.5 | 178.7 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | L212 W215 R216 | L212-V303 HydrophobicContact CD1-CB 4.02Å; L212-V303 HydrophobicContact CD1-CG1 3.59Å; L212-V303 HydrophobicContact CD1-CG2 3.23Å; L212-V303 HydrophobicContact CG-CG1 4.18Å; W215-V303 HydrophobicContact CD2-CB 4.14Å; W215-V303 HydrophobicContact CD2-CG2 3.51Å; W215-V303 HydrophobicContact CE3-CB 4.34Å; W215-V303 HydrophobicContact CE3-CG2 3.24Å; W215-V303 HydrophobicContact CG-CG2 4.28Å; W215-V303 HydrophobicContact CH2-CB 4.48Å; W215-V303 HydrophobicContact CH2-CG2 3.54Å; W215-V303 HydrophobicContact CZ2-CB 4.35Å; W215-V303 HydrophobicContact CZ2-CG2 3.84Å; W215-V303 HydrophobicContact CZ3-CG2 3.27Å; R216-V303 HydrophobicContact CG-CG1 3.25Å | ||
| 304 | D | 38 | Very low | 37.1 | Very low | 96 Ų | 96 | 101.3 Ų | 101.3 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | trans | -158.1 | 84.5 | 149.5 | -139 | -5.6 | 0 | 0 | 0 | 107.3 | K72 F302 | K72-D304 IonicContact NZ-OD2 2.84Å; F302-D304 PolarHBondContact O-N 3.21Å | ||
| 305 | R | 40.2 | Very low | 37 | Very low | 89 Ų | 89 | 96.7 Ų | 96.7 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | trans | -91.6 | 102.1 | 166.1 | -176.3 | 177.3 | 175.3 | 167.7 | 7.7 | 104.3 | T198 S202 E307 | T198-R305 VanDerWaalsContact CB-NH2 3.33Å; T198-R305 HydrophobicContact CG2-CG 4.08Å; S202-R305 PolarHBondContact OG-NH1 3.16Å; R305-E307 PolarHBondContact O-N 3.2Å | ||
| 306 | R | 36.4 | Very low | 37 | Very low | 141 Ų | 141 | 92.6 Ų | 92.6 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | trans | -52.6 | 126.7 | 156.2 | -82.6 | -172.9 | -160.3 | 176.2 | 6.8 | 105.7 | T16 I308 | T16-R306 HydrophobicContact CG2-CB 3.79Å; T16-R306 HydrophobicContact CG2-CG 4.32Å; R306-I308 PolarHBondContact O-N 2.96Å | ||
| 307 | E | 30.1 | Very low | 36.9 | Very low | 99 Ų | 99 | 84.4 Ų | 84.4 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | trans | -47.9 | 112.5 | 177.1 | -61.3 | 167.7 | 144.4 | 0 | 0 | 109.1 | T16 R305 | T16-E307 HydrophobicContact CG2-CB 4.22Å; T16-E307 WeakPolarHBondContact CG2-O 3.15Å; T16-E307 PolarHBondContact OG1-OE2 2.99Å; R305-E307 PolarHBondContact O-N 3.2Å | ||
| 308 | I | 32.2 | Very low | 37 | Very low | 61 Ų | 61 | 76 Ų | 76 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | trans | -104.5 | 124.4 | 155.2 | -57.2 | 176.6 | 0 | 0 | 0 | 102.6 | Y20 R306 | Y20-I308 HydrophobicContact CE2-CG1 4.41Å; R306-I308 PolarHBondContact O-N 2.96Å | ||
| 309 | P | 33.3 | Very low | 37 | Very low | 169 Ų | 169 | 77.9 Ų | 77.9 | 100% | 1.097 | 40% | 0.397 | S | S | * | . | trans | -44 | 0 | -173.7 | -27 | 30.6 | 0 | 0 | 0 | 114.3 |
Retrieved 309 of 309 residues in 587.5 ms
(Link to these results)