| 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 | 71.1 | Confident | 82.2 | Confident | 241 Ų | 241 | 109 Ų | 109 | 100% | 1.187 | 57% | 0.571 | S | S | * | * | 0 | 122.9 | 0 | -81 | 179.9 | -145.5 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 2.82Š| |||
| 2 | V | 75.7 | Confident | 82.3 | Confident | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | trans | -64 | 126.6 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | E6 K7 | V2-E6 WeakPolarHBondContact CA-OE2 3.1Å; V2-E6 HydrophobicContact CG1-CB 3.42Å; V2-E6 VanDerWaalsContact CG1-CB 3.42Å; V2-E6 HydrophobicContact CG1-CG 4.45Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.43Å; V2-K7 HydrophobicContact CB-CG 4.26Å; V2-K7 HydrophobicContact CG1-CG 3.72Å | ||
| 3 | S | 84.9 | Confident | 82.5 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 32% | 0.315 | 56% | 0.555 | S | S | . | * | trans | -65.7 | 160.8 | -177.2 | 72.5 | 0 | 0 | 0 | 0 | 111.2 | M1 S5 E6 K7 | M1-S3 PolarHBondContact O-N 2.82Å; S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 2.92Å; S3-E6 WeakPolarHBondContact OG-CB 3.28Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.31Å; S3-E6 PolarHBondContact OG-N 2.91Å; S3-E6 VanDerWaalsContact OG-N 3.16Å; S3-K7 PolarHBondContact O-N 3.05Å | ||
| 4 | C | 84.5 | Confident | 82.8 | Confident | 114 Ų | 114 | 106.5 Ų | 106.5 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.8 | -37.1 | 177.4 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | K7 Y8 | C4-K7 PolarHBondContact O-N 3.38Å; C4-Y8 WeakPolarHBondContact O-CB 3.36Å; C4-Y8 PolarHBondContact O-N 3.02Å |
| 5 | S | 86.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 105.1 Ų | 105.1 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | S3 Y8 A9 | S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S5-Y8 PolarHBondContact O-N 3.12Å; S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.49Å |
| 6 | E | 83.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 101 Ų | 101 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.8 | -76 | 168.5 | 174.7 | 0 | 0 | 111.9 | V2 S3 Y8 A9 N10 | V2-E6 WeakPolarHBondContact CA-OE2 3.1Å; V2-E6 HydrophobicContact CG1-CB 3.42Å; V2-E6 VanDerWaalsContact CG1-CB 3.42Å; V2-E6 HydrophobicContact CG1-CG 4.45Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.43Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 2.92Å; S3-E6 WeakPolarHBondContact OG-CB 3.28Å; S3-E6 VanDerWaalsContact OG-CG 3.26Å; S3-E6 WeakPolarHBondContact OG-CG 3.31Å; S3-E6 PolarHBondContact OG-N 2.91Å; S3-E6 VanDerWaalsContact OG-N 3.16Å; E6-Y8 VanDerWaalsContact C-N 3.29Å; E6-Y8 PolarHBondContact O-N 2.71Å; E6-A9 PolarHBondContact O-N 3.19Å; E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.46Å; E6-N10 PolarHBondContact O-N 3.31Å; E6-N10 PolarHBondContact O-ND2 2.82Å |
| 7 | K | 81 | Confident | 83.2 | Confident | 127 Ų | 127 | 99.9 Ų | 99.9 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 174.4 | -71.2 | -176.2 | -175.3 | 178.8 | 0 | 111.7 | V2 S3 C4 K11 | V2-K7 HydrophobicContact CB-CG 4.26Å; V2-K7 HydrophobicContact CG1-CG 3.72Å; S3-K7 PolarHBondContact O-N 3.05Å; C4-K7 PolarHBondContact O-N 3.38Å; K7-K11 WeakPolarHBondContact O-CG 3.23Å; K7-K11 PolarHBondContact O-N 3.39Å; K7-K11 VanDerWaalsContact O-N 3.11Å |
| 8 | Y | 82 | Confident | 83.3 | Confident | 146 Ų | 146 | 105.9 Ų | 105.9 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.5 | -48.5 | 177 | -179.6 | -104 | 0 | 0 | 0 | 111.7 | C4 S5 E6 N10 K11 Q12 | C4-Y8 WeakPolarHBondContact O-CB 3.36Å; C4-Y8 PolarHBondContact O-N 3.02Å; S5-Y8 PolarHBondContact O-N 3.12Å; E6-Y8 VanDerWaalsContact C-N 3.29Å; E6-Y8 PolarHBondContact O-N 2.71Å; Y8-N10 VanDerWaalsContact C-N 3.33Å; Y8-N10 PolarHBondContact O-N 3.23Å; Y8-K11 PolarHBondContact O-N 3Å; Y8-K11 VanDerWaalsContact O-N 3.15Å; Y8-Q12 HydrophobicContact CD1-CG 4.41Å; Y8-Q12 HydrophobicContact CE1-CG 4.07Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.32Å; Y8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y8-Q12 PolarHBondContact O-N 2.89Å; Y8-Q12 PolarHBondContact OH-NE2 3.2Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.09Å |
| 9 | A | 84.6 | Confident | 83.4 | Confident | 32 Ų | 32 | 107.1 Ų | 107.1 | 26% | 0.264 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S5 E6 K11 Q12 H13 | S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.49Å; E6-A9 PolarHBondContact O-N 3.19Å; A9-K11 PolarHBondContact O-N 3.42Å; A9-Q12 WeakPolarHBondContact O-CB 3.29Å; A9-Q12 PolarHBondContact O-N 3.36Å; A9-Q12 VanDerWaalsContact O-N 3.15Å; A9-H13 PolarHBondContact O-CD2 2.97Å; A9-H13 PolarHBondContact O-N 3.29Å |
| 10 | N | 85.6 | Confident | 83.4 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 176.2 | -75.2 | -22.3 | 0 | 0 | 0 | 112.3 | E6 Y8 H13 I14 | E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.46Å; E6-N10 PolarHBondContact O-N 3.31Å; E6-N10 PolarHBondContact O-ND2 2.82Å; Y8-N10 VanDerWaalsContact C-N 3.33Å; Y8-N10 PolarHBondContact O-N 3.23Å; N10-H13 PolarHBondContact O-N 3.15Å; N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 VanDerWaalsContact O-CG1 3.23Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.96Å |
| 11 | K | 85.1 | Confident | 83.4 | Confident | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 174.2 | -76.1 | -178.8 | 179.9 | -175.9 | 0 | 111.7 | K7 Y8 A9 I14 V15 | K7-K11 WeakPolarHBondContact O-CG 3.23Å; K7-K11 PolarHBondContact O-N 3.39Å; K7-K11 VanDerWaalsContact O-N 3.11Å; Y8-K11 PolarHBondContact O-N 3Å; Y8-K11 VanDerWaalsContact O-N 3.15Å; A9-K11 PolarHBondContact O-N 3.42Å; K11-I14 PolarHBondContact O-N 3.07Å; K11-V15 WeakPolarHBondContact O-CG2 3.44Å; K11-V15 PolarHBondContact O-N 3.07Å |
| 12 | Q | 82.5 | Confident | 83.7 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.6 | -69.2 | -177.6 | -48.1 | 0 | 0 | 111.8 | Y8 A9 V15 A16 | Y8-Q12 HydrophobicContact CD1-CG 4.41Å; Y8-Q12 HydrophobicContact CE1-CG 4.07Å; Y8-Q12 VanDerWaalsContact CZ-NE2 3.32Å; Y8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y8-Q12 PolarHBondContact O-N 2.89Å; Y8-Q12 PolarHBondContact OH-NE2 3.2Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.09Å; A9-Q12 WeakPolarHBondContact O-CB 3.29Å; A9-Q12 PolarHBondContact O-N 3.36Å; A9-Q12 VanDerWaalsContact O-N 3.15Å; Q12-V15 PolarHBondContact O-N 3.06Å; Q12-A16 VanDerWaalsContact O-CB 3.3Å; Q12-A16 WeakPolarHBondContact O-CB 3.21Å; Q12-A16 PolarHBondContact O-N 2.95Å |
| 13 | H | 85.8 | Confident | 84.1 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.1 | -74.3 | -58 | 0 | 0 | 0 | 112 | A9 N10 V15 A16 D17 | A9-H13 PolarHBondContact O-CD2 2.97Å; A9-H13 PolarHBondContact O-N 3.29Å; N10-H13 PolarHBondContact O-N 3.15Å; H13-V15 PolarHBondContact O-N 3.36Å; H13-A16 PolarHBondContact O-N 3.25Å; H13-D17 WeakPolarHBondContact O-CB 3.36Å; H13-D17 VanDerWaalsContact O-CG 3.25Å; H13-D17 PolarHBondContact O-N 3.19Å |
| 14 | I | 86.3 | Confident | 84.3 | Confident | 92 Ų | 92 | 101.3 Ų | 101.3 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.5 | -68.6 | 163.6 | 0 | 0 | 0 | 111.4 | N10 K11 R18 | N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 VanDerWaalsContact O-CG1 3.23Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.96Å; K11-I14 PolarHBondContact O-N 3.07Å; I14-R18 WeakPolarHBondContact O-CG 3.49Å; I14-R18 PolarHBondContact O-N 3.26Å; I14-R18 VanDerWaalsContact O-N 3.15Å |
| 15 | V | 86.9 | Confident | 84.5 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | K11 Q12 H13 D17 R18 L19 | K11-V15 WeakPolarHBondContact O-CG2 3.44Å; K11-V15 PolarHBondContact O-N 3.07Å; Q12-V15 PolarHBondContact O-N 3.06Å; H13-V15 PolarHBondContact O-N 3.36Å; V15-D17 PolarHBondContact O-N 2.89Å; V15-R18 PolarHBondContact O-N 3.06Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-L19 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 85.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 98 Ų | 98 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q12 H13 R18 L19 R20 | Q12-A16 VanDerWaalsContact O-CB 3.3Å; Q12-A16 WeakPolarHBondContact O-CB 3.21Å; Q12-A16 PolarHBondContact O-N 2.95Å; H13-A16 PolarHBondContact O-N 3.25Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.96Å; A16-L19 CarbonylContact O-C 3.23Å; A16-L19 PolarHBondContact O-N 3.26Å; A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.05Å; A16-R20 PolarHBondContact O-N 2.79Å |
| 17 | D | 83.5 | Confident | 85.2 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 178.6 | -74.9 | -25.4 | 0 | 0 | 0 | 112.7 | H13 V15 R20 | H13-D17 WeakPolarHBondContact O-CB 3.36Å; H13-D17 VanDerWaalsContact O-CG 3.25Å; H13-D17 PolarHBondContact O-N 3.19Å; V15-D17 PolarHBondContact O-N 2.89Å; D17-R20 WeakPolarHBondContact OD1-CD 3.29Å; D17-R20 IonicContact OD1-CZ 3.06Å; D17-R20 IonicContact OD1-NE 3.3Å; D17-R20 PolarHBondContact OD1-NE 3.01Å; D17-R20 IonicContact OD1-NH1 2.66Å; D17-R20 PolarHBondContact OD1-NH1 3.13Å; D17-R20 IonicContact OD1-NH2 3.92Å |
| 18 | R | 84.1 | Confident | 85.7 | Confident | 207 Ų | 207 | 94.8 Ų | 94.8 | 78% | 0.781 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.1 | -29.3 | 173.8 | -70.9 | 175.3 | -178.7 | -166.9 | 0 | 113.4 | I14 V15 A16 | I14-R18 WeakPolarHBondContact O-CG 3.49Å; I14-R18 PolarHBondContact O-N 3.26Å; I14-R18 VanDerWaalsContact O-N 3.15Å; V15-R18 PolarHBondContact O-N 3.06Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.96Å |
| 19 | L | 85.5 | Confident | 86.3 | Confident | 128 Ų | 128 | 87.9 Ų | 87.9 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -90.8 | -14.1 | 178.5 | -64.8 | 175 | 0 | 0 | 0 | 112.8 | V15 A16 L21 | V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-L19 VanDerWaalsContact O-N 3.13Å; A16-L19 CarbonylContact O-C 3.23Å; A16-L19 PolarHBondContact O-N 3.26Å; L19-L21 PolarHBondContact O-N 3.3Å |
| 20 | R | 83.8 | Confident | 86.9 | Confident | 142 Ų | 142 | 86.6 Ų | 86.6 | 54% | 0.536 | 45% | 0.445 | S | S | . | . | trans | -61 | 123.1 | -178.5 | -89.5 | 177.1 | -172.9 | -179.7 | -7.1 | 109.9 | A16 D17 T22 | A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.05Å; A16-R20 PolarHBondContact O-N 2.79Å; D17-R20 WeakPolarHBondContact OD1-CD 3.29Å; D17-R20 IonicContact OD1-CZ 3.06Å; D17-R20 IonicContact OD1-NE 3.3Å; D17-R20 PolarHBondContact OD1-NE 3.01Å; D17-R20 IonicContact OD1-NH1 2.66Å; D17-R20 PolarHBondContact OD1-NH1 3.13Å; D17-R20 IonicContact OD1-NH2 3.92Å; R20-T22 HydrophobicContact CB-CG2 4.26Å; R20-T22 PolarHBondContact O-N 2.66Å | ||
| 21 | L | 82.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 37% | 0.366 | 44% | 0.443 | S | S | . | . | trans | -90.7 | 27.9 | 177.2 | -61.8 | 169.9 | 0 | 0 | 0 | 111.9 | L19 S23 S24 V27 R28 L31 | L19-L21 PolarHBondContact O-N 3.3Å; L21-S23 PolarHBondContact O-N 3.3Å; L21-S24 CarbonylContact O-C 3.47Å; L21-S24 PolarHBondContact O-N 3.5Å; L21-V27 HydrophobicContact CD1-CG1 3.83Å; L21-R28 HydrophobicContact CB-CG 3.65Å; L21-R28 WeakPolarHBondContact O-CD 3.32Å; L21-R28 VanDerWaalsContact O-CG 3.31Å; L21-R28 WeakPolarHBondContact O-CG 3.44Å; L21-L31 HydrophobicContact CD1-CD1 3.37Å | ||
| 22 | T | 78 | Confident | 87.9 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34 | -174.8 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | R20 S24 | R20-T22 HydrophobicContact CB-CG2 4.26Å; R20-T22 PolarHBondContact O-N 2.66Å; T22-S24 PolarHBondContact O-N 2.78Å |
| 23 | S | 83.6 | Confident | 88.6 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.1 | 175.7 | -51.2 | 0 | 0 | 0 | 0 | 114.6 | L21 | L21-S23 PolarHBondContact O-N 3.3Š|
| 24 | S | 89.1 | Confident | 89.2 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | trans | -127.9 | 79.4 | 179.3 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | L21 T22 L26 V27 R28 | L21-S24 CarbonylContact O-C 3.47Å; L21-S24 PolarHBondContact O-N 3.5Å; T22-S24 PolarHBondContact O-N 2.78Å; S24-L26 PolarHBondContact O-N 2.84Å; S24-V27 PolarHBondContact O-N 3.35Å; S24-V27 WeakPolarHBondContact OG-CB 3.38Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; S24-R28 PolarHBondContact O-N 2.95Å | ||
| 25 | P | 89 | Confident | 89.7 | Confident | 79 Ų | 79 | 71 Ų | 71 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.6 | -35.3 | -179.5 | -25.6 | 34.6 | 0 | 0 | 0 | 113.6 | A29 | P25-A29 WeakPolarHBondContact O-CB 3.3Å; P25-A29 PolarHBondContact O-N 3.26Å |
| 26 | L | 91.7 | Very high | 90.3 | Very high | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 177.8 | 177.4 | 60 | 0 | 0 | 0 | 111.7 | S24 A29 C30 R108 F111 Y112 | S24-L26 PolarHBondContact O-N 2.84Å; L26-A29 PolarHBondContact O-N 3.04Å; L26-C30 WeakPolarHBondContact O-CB 3.35Å; L26-C30 PolarHBondContact O-N 3.44Å; L26-C30 PolarHBondContact O-SG 3.4Å; L26-R108 HydrophobicContact CD1-CG 4.08Å; L26-F111 HydrophobicContact CD1-CB 4.44Å; L26-F111 HydrophobicContact CD1-CD2 4.43Å; L26-F111 HydrophobicContact CD2-CD2 4.03Å; L26-F111 HydrophobicContact CD2-CE2 4.19Å; L26-F111 HydrophobicContact CD2-CG 4.41Å; L26-Y112 HydrophobicContact CD1-CE1 4.41Å |
| 27 | V | 92.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | -179.7 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L21 S24 A29 C30 L31 | L21-V27 HydrophobicContact CD1-CG1 3.83Å; S24-V27 PolarHBondContact O-N 3.35Å; S24-V27 WeakPolarHBondContact OG-CB 3.38Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.41Å; V27-C30 PolarHBondContact O-N 3.15Å; V27-L31 HydrophobicContact CG1-CD1 4.42Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.15Å |
| 28 | R | 92.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 172.5 | -74 | 178.3 | 60.1 | -164.6 | -0.2 | 111.9 | L21 S24 L31 G32 C85 | L21-R28 HydrophobicContact CB-CG 3.65Å; L21-R28 WeakPolarHBondContact O-CD 3.32Å; L21-R28 VanDerWaalsContact O-CG 3.31Å; L21-R28 WeakPolarHBondContact O-CG 3.44Å; S24-R28 PolarHBondContact O-N 2.95Å; R28-L31 PolarHBondContact O-N 3.11Å; R28-G32 PolarHBondContact O-N 2.83Å; R28-C85 CarbonylContact C-O 3.5Å; R28-C85 VanDerWaalsContact C-O 3.23Å |
| 29 | A | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P25 L26 V27 L31 G32 E33 C85 Y112 | P25-A29 WeakPolarHBondContact O-CB 3.3Å; P25-A29 PolarHBondContact O-N 3.26Å; L26-A29 PolarHBondContact O-N 3.04Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.41Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.26Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-G32 VanDerWaalsContact O-N 3.13Å; A29-E33 WeakPolarHBondContact O-CG 3.46Å; A29-E33 PolarHBondContact O-N 3.04Å; A29-C85 WeakPolarHBondContact CA-O 3.23Å; A29-C85 PolarHBondContact N-O 2.86Å; A29-C85 VanDerWaalsContact N-O 3.11Å; A29-Y112 HydrophobicContact CB-CE1 3.71Å; A29-Y112 WeakPolarHBondContact CB-OH 3.37Å |
| 30 | C | 96.2 | Very high | 93 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | L26 V27 E33 F34 F115 | L26-C30 WeakPolarHBondContact O-CB 3.35Å; L26-C30 PolarHBondContact O-N 3.44Å; L26-C30 PolarHBondContact O-SG 3.4Å; V27-C30 PolarHBondContact O-N 3.15Å; C30-E33 PolarHBondContact O-N 2.97Å; C30-F34 WeakPolarHBondContact O-CB 3.19Å; C30-F34 PolarHBondContact O-N 3.43Å; C30-F115 HydrophobicContact CB-CD2 3.48Å; C30-F115 VanDerWaalsContact CB-CD2 3.48Å; C30-F115 HydrophobicContact CB-CE2 3.75Å; C30-F115 HydrophobicContact CB-CG 4.01Å; C30-F115 HydrophobicContact CB-CZ 4.47Å |
| 31 | L | 95 | Very high | 93.7 | Very high | 80 Ų | 80 | 41 Ų | 41 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 174.2 | -72.7 | 172.9 | 0 | 0 | 0 | 112.3 | L21 V27 R28 A29 M35 | L21-L31 HydrophobicContact CD1-CD1 3.37Å; V27-L31 HydrophobicContact CG1-CD1 4.42Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.15Å; R28-L31 PolarHBondContact O-N 3.11Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.26Å; L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 2.99Å |
| 32 | G | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -52.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R28 A29 F34 M35 G36 S82 | R28-G32 PolarHBondContact O-N 2.83Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-G32 VanDerWaalsContact O-N 3.13Å; G32-F34 VanDerWaalsContact C-N 3.31Å; G32-F34 PolarHBondContact O-N 3.41Å; G32-M35 PolarHBondContact O-N 2.92Å; G32-G36 PolarHBondContact O-N 2.86Å; G32-S82 WeakPolarHBondContact O-CB 3.45Å |
| 33 | E | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 177.9 | -66.1 | -63.1 | 146.8 | 0 | 0 | 112.4 | A29 C30 S37 S87 G88 H89 C90 Y112 Q116 | A29-E33 WeakPolarHBondContact O-CG 3.46Å; A29-E33 PolarHBondContact O-N 3.04Å; C30-E33 PolarHBondContact O-N 2.97Å; E33-S37 VanDerWaalsContact O-CB 3.28Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 VanDerWaalsContact O-N 3.07Å; E33-S37 PolarHBondContact O-OG 2.9Å; E33-S87 PolarHBondContact OE1-N 3.33Å; E33-G88 PolarHBondContact OE1-N 3.39Å; E33-H89 PolarHBondContact OE1-N 3.07Å; E33-H89 PolarHBondContact OE2-N 3.48Å; E33-C90 WeakPolarHBondContact OE2-CA 3.37Å; E33-C90 PolarHBondContact OE2-N 3.43Å; E33-Y112 HydrophobicContact CG-CD1 4.13Å; E33-Y112 HydrophobicContact CG-CD2 3.74Å; E33-Y112 HydrophobicContact CG-CE1 4.27Å; E33-Y112 HydrophobicContact CG-CE2 3.9Å; E33-Y112 HydrophobicContact CG-CG 3.88Å; E33-Q116 HydrophobicContact CB-CG 4.07Å; E33-Q116 PolarHBondContact OE2-NE2 2.69Å |
| 34 | F | 97.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 18% | 0.18 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -54.9 | 174.1 | 174 | -112.3 | 0 | 0 | 0 | 111.9 | C30 G32 S37 I38 F115 L118 L122 | C30-F34 WeakPolarHBondContact O-CB 3.19Å; C30-F34 PolarHBondContact O-N 3.43Å; G32-F34 VanDerWaalsContact C-N 3.31Å; G32-F34 PolarHBondContact O-N 3.41Å; F34-S37 PolarHBondContact O-N 3.45Å; F34-I38 HydrophobicContact CD1-CD1 4.14Å; F34-I38 HydrophobicContact CD2-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CD1 3.54Å; F34-I38 PolarHBondContact O-N 3.06Å; F34-F115 HydrophobicContact CB-CB 4.08Å; F34-F115 HydrophobicContact CB-CD1 4.02Å; F34-F115 HydrophobicContact CB-CG 4.45Å; F34-F115 HydrophobicContact CD2-CD1 4.22Å; F34-F115 HydrophobicContact CG-CD1 4.28Å; F34-L118 HydrophobicContact CD2-CB 4.47Å; F34-L118 HydrophobicContact CD2-CD2 4.44Å; F34-L118 HydrophobicContact CD2-CG 4.41Å; F34-L118 HydrophobicContact CE2-CB 4.39Å; F34-L118 HydrophobicContact CE2-CD2 4.03Å; F34-L118 HydrophobicContact CE2-CG 3.9Å; F34-L122 HydrophobicContact CE2-CD1 3.81Å; F34-L122 HydrophobicContact CZ-CD1 3.67Å |
| 35 | M | 97.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 38% | 0.384 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.7 | -43.8 | -177.3 | -175.2 | 57.4 | 67.2 | 0 | 0 | 111.5 | L31 G32 S37 I38 I39 F81 | L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 2.99Å; G32-M35 PolarHBondContact O-N 2.92Å; M35-S37 VanDerWaalsContact C-N 3.27Å; M35-S37 PolarHBondContact O-N 3.18Å; M35-I38 WeakPolarHBondContact O-CB 3.45Å; M35-I38 PolarHBondContact O-N 3.37Å; M35-I39 WeakPolarHBondContact O-CG1 3.38Å; M35-I39 PolarHBondContact O-N 3.4Å; M35-I39 HydrophobicContact SD-CG1 4.42Å; M35-F81 HydrophobicContact CG-CB 4.27Å; M35-F81 HydrophobicContact CG-CD1 3.93Å |
| 36 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G32 I39 L40 A78 C90 | G32-G36 PolarHBondContact O-N 2.86Å; G36-I39 PolarHBondContact O-N 3.48Å; G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 2.8Å; G36-A78 VanDerWaalsContact O-CB 3.24Å; G36-A78 WeakPolarHBondContact O-CB 3.38Å; G36-C90 VanDerWaalsContact C-SG 3.55Å; G36-C90 VanDerWaalsContact CA-SG 3.57Å |
| 37 | S | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -33.1 | 177.2 | -57 | 0 | 0 | 0 | 0 | 113.2 | E33 F34 M35 M41 Q116 | E33-S37 VanDerWaalsContact O-CB 3.28Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.4Å; E33-S37 VanDerWaalsContact O-N 3.07Å; E33-S37 PolarHBondContact O-OG 2.9Å; F34-S37 PolarHBondContact O-N 3.45Å; M35-S37 VanDerWaalsContact C-N 3.27Å; M35-S37 PolarHBondContact O-N 3.18Å; S37-M41 PolarHBondContact O-N 3.35Å; S37-Q116 WeakPolarHBondContact CB-O 3.37Å; S37-Q116 WeakPolarHBondContact OG-CA 3.43Å |
| 38 | I | 98.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -52.9 | 169.2 | -70.9 | 171.9 | 0 | 0 | 0 | 109.7 | F34 M35 L40 M41 I42 G119 L122 | F34-I38 HydrophobicContact CD1-CD1 4.14Å; F34-I38 HydrophobicContact CD2-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CD1 3.54Å; F34-I38 PolarHBondContact O-N 3.06Å; M35-I38 WeakPolarHBondContact O-CB 3.45Å; M35-I38 PolarHBondContact O-N 3.37Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.79Å; I38-M41 PolarHBondContact O-N 3.04Å; I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.15Å; I38-G119 WeakPolarHBondContact CA-O 3.25Å; I38-G119 VanDerWaalsContact CG1-O 3.27Å; I38-G119 WeakPolarHBondContact CG1-O 3.45Å; I38-L122 HydrophobicContact CD1-CB 4.49Å; I38-L122 HydrophobicContact CG1-CB 4.32Å |
| 39 | I | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 21.7 Ų | 21.7 | 11% | 0.108 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | -177 | -65.3 | -60.4 | 0 | 0 | 0 | 111 | M35 G36 M41 I42 F43 M77 F81 | M35-I39 WeakPolarHBondContact O-CG1 3.38Å; M35-I39 PolarHBondContact O-N 3.4Å; M35-I39 HydrophobicContact SD-CG1 4.42Å; G36-I39 PolarHBondContact O-N 3.48Å; I39-M41 VanDerWaalsContact C-N 3.3Å; I39-M41 PolarHBondContact O-N 3.06Å; I39-I42 PolarHBondContact O-N 3.16Å; I39-F43 HydrophobicContact CG2-CD2 3.82Å; I39-F43 HydrophobicContact CG2-CE2 3.92Å; I39-F43 WeakPolarHBondContact O-CD2 3.5Å; I39-F43 PolarHBondContact O-N 3.36Å; I39-F43 VanDerWaalsContact O-N 3.12Å; I39-M77 HydrophobicContact CG2-CB 3.5Å; I39-M77 VanDerWaalsContact CG2-CB 3.5Å; I39-F81 HydrophobicContact CD1-CD1 4.2Å; I39-F81 HydrophobicContact CD1-CE1 4.16Å; I39-F81 HydrophobicContact CG1-CB 4.23Å; I39-F81 HydrophobicContact CG1-CD1 3.84Å; I39-F81 HydrophobicContact CG1-CD2 4.44Å; I39-F81 HydrophobicContact CG1-CE1 4.3Å; I39-F81 HydrophobicContact CG1-CG 3.91Å |
| 40 | L | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.1 | -50 | 174.5 | -179.6 | 61.7 | 0 | 0 | 0 | 111 | G36 I38 G44 W71 A74 V75 A78 C90 | G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 PolarHBondContact O-N 2.8Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.79Å; L40-G44 PolarHBondContact O-N 2.84Å; L40-W71 HydrophobicContact CD1-CE3 4.45Å; L40-W71 HydrophobicContact CD1-CZ3 4.27Å; L40-W71 HydrophobicContact CG-CZ3 4.44Å; L40-A74 HydrophobicContact CD1-CB 3.9Å; L40-V75 HydrophobicContact CD1-CG2 3.75Å; L40-A78 HydrophobicContact CB-CB 3.8Å; L40-A78 HydrophobicContact CD1-CB 4.36Å; L40-C90 HydrophobicContact CD2-CB 4.39Å |
| 41 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.1 | -32 | -177.7 | -68.3 | -46.9 | -52.1 | 0 | 0 | 113.5 | S37 I38 I39 S45 W71 A120 S124 R225 P229 | S37-M41 PolarHBondContact O-N 3.35Å; I38-M41 PolarHBondContact O-N 3.04Å; I39-M41 VanDerWaalsContact C-N 3.3Å; I39-M41 PolarHBondContact O-N 3.06Å; M41-S45 VanDerWaalsContact CE-OG 3.27Å; M41-S45 WeakPolarHBondContact CE-OG 3.4Å; M41-S45 VanDerWaalsContact O-CB 3.25Å; M41-S45 WeakPolarHBondContact O-CB 3.33Å; M41-S45 PolarHBondContact O-N 3.29Å; M41-W71 HydrophobicContact CE-CH2 4.03Å; M41-W71 HydrophobicContact SD-CH2 4.2Å; M41-A120 VanDerWaalsContact CG-CA 3.46Å; M41-A120 HydrophobicContact CG-CB 3.61Å; M41-A120 WeakPolarHBondContact CG-O 3.44Å; M41-A120 HydrophobicContact SD-CB 4.44Å; M41-S124 VanDerWaalsContact CE-OG 3.31Å; M41-S124 WeakPolarHBondContact CE-OG 3.34Å; M41-R225 HydrophobicContact CE-CG 4.4Å; M41-R225 HydrophobicContact SD-CB 4.04Å; M41-R225 HydrophobicContact SD-CG 3.66Å; M41-P229 HydrophobicContact CE-CB 4.46Å; M41-P229 HydrophobicContact CE-CG 3.53Å; M41-P229 HydrophobicContact CG-CG 4.34Å; M41-P229 HydrophobicContact SD-CG 4.12Å |
| 42 | I | 98.9 | Very high | 98.3 | Very high | 50 Ų | 50 | 23 Ų | 23 | 26% | 0.256 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 174.9 | -73.2 | 173.3 | 0 | 0 | 0 | 110.6 | I38 I39 G46 V126 V127 | I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.15Å; I39-I42 PolarHBondContact O-N 3.16Å; I42-G46 VanDerWaalsContact O-CA 3.28Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.27Å; I42-V126 HydrophobicContact CD1-CB 4.37Å; I42-V126 HydrophobicContact CD1-CG1 4.13Å; I42-V126 HydrophobicContact CG1-CB 4.27Å; I42-V126 HydrophobicContact CG1-CG1 4.22Å; I42-V127 WeakPolarHBondContact O-CG2 3.39Å |
| 43 | F | 98.8 | Very high | 98.4 | Very high | 89 Ų | 89 | 23.5 Ų | 23.5 | 39% | 0.39 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -74.6 | -43.8 | 179.9 | -76.9 | -79.1 | 0 | 0 | 0 | 112.2 | I39 G46 V47 A74 M77 | I39-F43 HydrophobicContact CG2-CD2 3.82Å; I39-F43 HydrophobicContact CG2-CE2 3.92Å; I39-F43 WeakPolarHBondContact O-CD2 3.5Å; I39-F43 PolarHBondContact O-N 3.36Å; I39-F43 VanDerWaalsContact O-N 3.12Å; F43-G46 PolarHBondContact O-N 2.88Å; F43-V47 PolarHBondContact O-N 2.98Å; F43-A74 HydrophobicContact CB-CB 3.53Å; F43-M77 HydrophobicContact CD2-CB 3.97Å; F43-M77 HydrophobicContact CD2-CG 4.17Å; F43-M77 HydrophobicContact CE2-CB 3.86Å; F43-M77 HydrophobicContact CE2-CE 4.49Å; F43-M77 HydrophobicContact CE2-CG 3.82Å; F43-M77 HydrophobicContact CZ-CG 4.08Å |
| 44 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -48.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L40 G46 V47 L48 W71 | L40-G44 PolarHBondContact O-N 2.84Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-V47 VanDerWaalsContact O-CG1 3.27Å; G44-V47 WeakPolarHBondContact O-CG1 3.27Å; G44-L48 PolarHBondContact O-N 2.98Å; G44-W71 VanDerWaalsContact C-CZ2 3.49Å |
| 45 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.2 | -29.4 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | M41 L48 A49 I155 | M41-S45 VanDerWaalsContact CE-OG 3.27Å; M41-S45 WeakPolarHBondContact CE-OG 3.4Å; M41-S45 VanDerWaalsContact O-CB 3.25Å; M41-S45 WeakPolarHBondContact O-CB 3.33Å; M41-S45 PolarHBondContact O-N 3.29Å; S45-L48 PolarHBondContact O-N 3.07Å; S45-A49 WeakPolarHBondContact O-CB 3.42Å; S45-A49 PolarHBondContact O-N 3.34Å; S45-I155 WeakPolarHBondContact CB-O 3.23Å; S45-I155 PolarHBondContact OG-O 2.9Å |
| 46 | G | 98.7 | Very high | 98 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I42 F43 G44 A49 Q50 | I42-G46 VanDerWaalsContact O-CA 3.28Å; I42-G46 WeakPolarHBondContact O-CA 3.37Å; I42-G46 PolarHBondContact O-N 3.27Å; F43-G46 PolarHBondContact O-N 2.88Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G46-A49 PolarHBondContact O-N 3.47Å; G46-Q50 WeakPolarHBondContact O-CG 3.12Å; G46-Q50 PolarHBondContact O-N 3.25Å |
| 47 | V | 98.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 112 | F43 G44 Q50 V51 S66 | F43-V47 PolarHBondContact O-N 2.98Å; G44-V47 VanDerWaalsContact O-CG1 3.27Å; G44-V47 WeakPolarHBondContact O-CG1 3.27Å; V47-Q50 PolarHBondContact O-N 3.06Å; V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.14Å; V47-S66 WeakPolarHBondContact CG2-O 3.38Å |
| 48 | L | 98.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 174.6 | -74.8 | 168 | 0 | 0 | 0 | 111.6 | G44 S45 V51 I52 V67 W71 I155 | G44-L48 PolarHBondContact O-N 2.98Å; S45-L48 PolarHBondContact O-N 3.07Å; L48-V51 PolarHBondContact O-N 2.91Å; L48-I52 HydrophobicContact CB-CD1 4.34Å; L48-I52 HydrophobicContact CD2-CD1 4.36Å; L48-I52 VanDerWaalsContact O-CB 3.24Å; L48-I52 WeakPolarHBondContact O-CB 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 2.94Å; L48-V67 HydrophobicContact CD2-CG1 3.88Å; L48-V67 HydrophobicContact CD2-CG2 4.17Å; L48-W71 HydrophobicContact CD1-CZ2 3.85Å; L48-I155 HydrophobicContact CB-CG2 4.42Å; L48-I155 WeakPolarHBondContact CD1-O 3.47Å |
| 49 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S45 G46 L53 V127 Y131 I155 | S45-A49 WeakPolarHBondContact O-CB 3.42Å; S45-A49 PolarHBondContact O-N 3.34Å; G46-A49 PolarHBondContact O-N 3.47Å; A49-L53 HydrophobicContact CB-CD1 4.21Å; A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 WeakPolarHBondContact O-CG 3.25Å; A49-L53 PolarHBondContact O-N 3.39Å; A49-V127 HydrophobicContact CB-CG1 4.24Å; A49-Y131 HydrophobicContact CB-CD1 3.78Å; A49-Y131 HydrophobicContact CB-CD2 3.78Å; A49-Y131 HydrophobicContact CB-CE1 3.81Å; A49-Y131 HydrophobicContact CB-CE2 3.82Å; A49-Y131 HydrophobicContact CB-CG 3.75Å; A49-I155 HydrophobicContact CB-CG2 3.92Å |
| 50 | Q | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58 | -52.8 | 173.3 | -74.7 | -69.9 | -53.4 | 0 | 0 | 111.3 | G46 V47 G54 H61 Y131 | G46-Q50 WeakPolarHBondContact O-CG 3.12Å; G46-Q50 PolarHBondContact O-N 3.25Å; V47-Q50 PolarHBondContact O-N 3.06Å; Q50-G54 WeakPolarHBondContact O-CA 3.49Å; Q50-G54 PolarHBondContact O-N 3.04Å; Q50-G54 VanDerWaalsContact O-N 3.09Å; Q50-H61 HydrophobicContact CB-CB 4.48Å; Q50-H61 WeakPolarHBondContact O-CB 3.38Å; Q50-Y131 PolarHBondContact NE2-OH 3.08Å |
| 51 | V | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -44.6 | -176.6 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | V47 L48 H59 V67 | V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.14Å; L48-V51 PolarHBondContact O-N 2.91Å; V51-H59 VanDerWaalsContact O-CA 3.22Å; V51-H59 WeakPolarHBondContact O-CA 3.44Å; V51-H59 PolarHBondContact O-ND1 3.16Å; V51-V67 HydrophobicContact CB-CG2 4.14Å; V51-V67 HydrophobicContact CG1-CG2 4.14Å; V51-V67 HydrophobicContact CG2-CG2 3.89Å |
| 52 | I | 97.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.7 | -41.3 | -175.3 | -67.5 | 169.8 | 0 | 0 | 0 | 111.8 | L48 G57 Y138 I155 | L48-I52 HydrophobicContact CB-CD1 4.34Å; L48-I52 HydrophobicContact CD2-CD1 4.36Å; L48-I52 VanDerWaalsContact O-CB 3.24Å; L48-I52 WeakPolarHBondContact O-CB 3.26Å; L48-I52 WeakPolarHBondContact O-CG1 3.35Å; L48-I52 PolarHBondContact O-N 2.94Å; I52-G57 WeakPolarHBondContact O-CA 3.48Å; I52-Y138 HydrophobicContact CG2-CE2 4.33Å; I52-I155 HydrophobicContact CB-CG1 4.18Å; I52-I155 HydrophobicContact CD1-CG1 3.74Å; I52-I155 HydrophobicContact CG2-CD1 4.45Å; I52-I155 HydrophobicContact CG2-CG1 4.26Å |
| 53 | L | 98.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.3 | -10.1 | -173.3 | -54.6 | 171.3 | 0 | 0 | 0 | 113.1 | A49 D55 H56 Y131 K134 I135 Y138 I155 | A49-L53 HydrophobicContact CB-CD1 4.21Å; A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 WeakPolarHBondContact O-CG 3.25Å; A49-L53 PolarHBondContact O-N 3.39Å; L53-D55 PolarHBondContact O-N 3.29Å; L53-H56 PolarHBondContact O-N 3.27Å; L53-Y131 HydrophobicContact CD1-CD1 3.84Å; L53-Y131 HydrophobicContact CD1-CG 4.26Å; L53-K134 HydrophobicContact CB-CB 4.36Å; L53-K134 HydrophobicContact CD1-CB 3.87Å; L53-I135 HydrophobicContact CD1-CG1 3.76Å; L53-I135 HydrophobicContact CD2-CG1 4.33Å; L53-Y138 HydrophobicContact CD2-CD2 3.96Å; L53-Y138 HydrophobicContact CD2-CG 4Å; L53-I155 HydrophobicContact CD1-CD1 3.84Å; L53-I155 HydrophobicContact CD2-CD1 3.96Å; L53-I155 HydrophobicContact CG-CD1 3.87Å |
| 54 | G | 96.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -56.5 | 133.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q50 H56 G57 K58 H59 H61 | Q50-G54 WeakPolarHBondContact O-CA 3.49Å; Q50-G54 PolarHBondContact O-N 3.04Å; Q50-G54 VanDerWaalsContact O-N 3.09Å; G54-H56 VanDerWaalsContact C-N 3.31Å; G54-H56 PolarHBondContact O-N 3.42Å; G54-G57 PolarHBondContact O-N 3.11Å; G54-G57 VanDerWaalsContact O-N 3.17Å; G54-K58 PolarHBondContact O-N 3.13Å; G54-H59 PolarHBondContact O-N 3.26Å; G54-H61 WeakPolarHBondContact CA-CD2 3.48Å |
| 55 | D | 94.2 | Very high | 96.3 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | 43.5 | 54.2 | -173.7 | -171.6 | 23.6 | 0 | 0 | 0 | 112.8 | L53 G57 K58 A60 | L53-D55 PolarHBondContact O-N 3.29Å; D55-G57 PolarHBondContact O-N 2.87Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 WeakPolarHBondContact O-CB 3.33Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 2.99Å; D55-K58 IonicContact OD1-NZ 3.7Å; D55-K58 VanDerWaalsContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å; D55-K58 IonicContact OD2-NZ 3.08Å; D55-K58 PolarHBondContact OD2-NZ 2.83Å; D55-A60 HydrophobicContact CB-CB 3.46Å; D55-A60 VanDerWaalsContact CB-CB 3.46Å |
| 56 | H | 93.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | 60.8 | 26.7 | 176.1 | -47.9 | -87.1 | 0 | 0 | 0 | 114.8 | L53 G54 E137 L141 N142 | L53-H56 PolarHBondContact O-N 3.27Å; G54-H56 VanDerWaalsContact C-N 3.31Å; G54-H56 PolarHBondContact O-N 3.42Å; H56-E137 IonicContact CE1-OE1 3.25Å; H56-E137 PolarHBondContact CE1-OE1 3.01Å; H56-E137 IonicContact ND1-OE1 3.66Å; H56-E137 PolarHBondContact ND1-OE1 3.32Å; H56-L141 HydrophobicContact CB-CD1 3.9Å; H56-N142 PolarHBondContact O-ND2 3.47Å; H56-N142 VanDerWaalsContact O-ND2 3.16Å |
| 57 | G | 93.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 107.5 | 3.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I52 G54 D55 H59 Y138 | I52-G57 WeakPolarHBondContact O-CA 3.48Å; G54-G57 PolarHBondContact O-N 3.11Å; G54-G57 VanDerWaalsContact O-N 3.17Å; D55-G57 PolarHBondContact O-N 2.87Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-Y138 VanDerWaalsContact CA-CE2 3.46Å |
| 58 | K | 94 | Very high | 96.2 | Very high | 145 Ų | 145 | 52.2 Ų | 52.2 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.8 | -179.3 | -61 | 175.3 | -160.7 | 153 | 0 | 114.1 | G54 D55 A60 | G54-K58 PolarHBondContact O-N 3.13Å; D55-K58 HydrophobicContact CB-CB 4.28Å; D55-K58 WeakPolarHBondContact O-CB 3.33Å; D55-K58 WeakPolarHBondContact O-CG 3.47Å; D55-K58 PolarHBondContact O-N 2.99Å; D55-K58 IonicContact OD1-NZ 3.7Å; D55-K58 VanDerWaalsContact OD2-CD 3.3Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å; D55-K58 IonicContact OD2-NZ 3.08Å; D55-K58 PolarHBondContact OD2-NZ 2.83Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.28Å |
| 59 | H | 92.8 | Very high | 96.2 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | trans | 60.2 | 31.2 | 177 | -55.4 | -81 | 0 | 0 | 0 | 115.5 | V51 G54 G57 H61 | V51-H59 VanDerWaalsContact O-CA 3.22Å; V51-H59 WeakPolarHBondContact O-CA 3.44Å; V51-H59 PolarHBondContact O-ND1 3.16Å; G54-H59 PolarHBondContact O-N 3.26Å; G57-H59 VanDerWaalsContact C-N 3.31Å; H59-H61 VanDerWaalsContact C-N 3.26Å; H59-H61 PolarHBondContact O-N 2.98Å | ||
| 60 | A | 93.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D55 K58 | D55-A60 HydrophobicContact CB-CB 3.46Å; D55-A60 VanDerWaalsContact CB-CB 3.46Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.28Å |
| 61 | H | 94.7 | Very high | 96.2 | Very high | 112 Ų | 112 | 52.3 Ų | 52.3 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 31.3 | -175.1 | -67.5 | -102.7 | 0 | 0 | 0 | 113.3 | Q50 G54 H59 | Q50-H61 HydrophobicContact CB-CB 4.48Å; Q50-H61 WeakPolarHBondContact O-CB 3.38Å; G54-H61 WeakPolarHBondContact CA-CD2 3.48Å; H59-H61 VanDerWaalsContact C-N 3.26Å; H59-H61 PolarHBondContact O-N 2.98Å |
| 62 | G | 95.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | 143 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 | G62-S66 WeakPolarHBondContact CA-OG 3.46Š| ||
| 63 | T | 95.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | trans | -124.8 | -172.8 | 179.1 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | I65 S66 V67 | T63-I65 PolarHBondContact O-N 3.48Å; T63-I65 PolarHBondContact OG1-N 2.87Å; T63-S66 PolarHBondContact N-OG 3.34Å; T63-S66 VanDerWaalsContact N-OG 3.12Å; T63-S66 WeakPolarHBondContact O-CA 3.29Å; T63-S66 VanDerWaalsContact O-CB 3.25Å; T63-S66 WeakPolarHBondContact O-CB 3.06Å; T63-S66 PolarHBondContact O-N 3.36Å; T63-V67 PolarHBondContact O-N 3.31Å; T63-V67 VanDerWaalsContact O-N 3.11Å | ||
| 64 | F | 95.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -26.8 | 175.1 | -170.2 | -101.3 | 0 | 0 | 0 | 113.4 | S66 V67 S68 V210 A214 | F64-S66 VanDerWaalsContact C-N 3.33Å; F64-V67 PolarHBondContact O-N 2.94Å; F64-S68 PolarHBondContact O-N 3.48Å; F64-S68 PolarHBondContact O-OG 3.3Å; F64-V210 VanDerWaalsContact CZ-O 3.25Å; F64-V210 WeakPolarHBondContact CZ-O 3.31Å; F64-A214 HydrophobicContact CE2-CB 3.96Å; F64-A214 HydrophobicContact CZ-CB 3.67Å |
| 65 | I | 97.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 171.3 | -67.6 | 175.1 | 0 | 0 | 0 | 110.2 | T63 V67 S68 L69 | T63-I65 PolarHBondContact O-N 3.48Å; T63-I65 PolarHBondContact OG1-N 2.87Å; I65-V67 PolarHBondContact O-N 2.91Å; I65-S68 PolarHBondContact O-N 3.38Å; I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.26Å |
| 66 | S | 97.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.2 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | V47 G62 T63 F64 S68 L69 G70 | V47-S66 WeakPolarHBondContact CG2-O 3.38Å; G62-S66 WeakPolarHBondContact CA-OG 3.46Å; T63-S66 PolarHBondContact N-OG 3.34Å; T63-S66 VanDerWaalsContact N-OG 3.12Å; T63-S66 WeakPolarHBondContact O-CA 3.29Å; T63-S66 VanDerWaalsContact O-CB 3.25Å; T63-S66 WeakPolarHBondContact O-CB 3.06Å; T63-S66 PolarHBondContact O-N 3.36Å; F64-S66 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 3.28Å; S66-L69 PolarHBondContact O-N 3.34Å; S66-G70 PolarHBondContact O-N 2.71Å |
| 67 | V | 98.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.085 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -49 | 176 | 176.4 | 0 | 0 | 0 | 0 | 111 | L48 V51 T63 F64 I65 G70 W71 | L48-V67 HydrophobicContact CD2-CG1 3.88Å; L48-V67 HydrophobicContact CD2-CG2 4.17Å; V51-V67 HydrophobicContact CB-CG2 4.14Å; V51-V67 HydrophobicContact CG1-CG2 4.14Å; V51-V67 HydrophobicContact CG2-CG2 3.89Å; T63-V67 PolarHBondContact O-N 3.31Å; T63-V67 VanDerWaalsContact O-N 3.11Å; F64-V67 PolarHBondContact O-N 2.94Å; I65-V67 PolarHBondContact O-N 2.91Å; V67-G70 PolarHBondContact O-N 2.93Å; V67-W71 VanDerWaalsContact O-CD1 3.26Å; V67-W71 PolarHBondContact O-N 3.13Å |
| 68 | S | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | -179 | -55 | 0 | 0 | 0 | 0 | 111.4 | F64 I65 S66 G70 W71 G72 Y207 G211 | F64-S68 PolarHBondContact O-N 3.48Å; F64-S68 PolarHBondContact O-OG 3.3Å; I65-S68 PolarHBondContact O-N 3.38Å; S66-S68 PolarHBondContact O-N 3.28Å; S68-G70 VanDerWaalsContact C-N 3.34Å; S68-G70 PolarHBondContact O-N 2.96Å; S68-W71 PolarHBondContact O-N 2.87Å; S68-G72 PolarHBondContact O-N 2.94Å; S68-Y207 VanDerWaalsContact C-CD2 3.49Å; S68-G211 WeakPolarHBondContact OG-CA 3.36Å; S68-G211 PolarHBondContact OG-N 3.06Å |
| 69 | L | 98.4 | Very high | 97.2 | Very high | 69 Ų | 69 | 49 Ų | 49 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.8 | -77 | 172.6 | 0 | 0 | 0 | 111.5 | I65 S66 W71 G72 F73 Y207 | I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.26Å; S66-L69 PolarHBondContact O-N 3.34Å; L69-W71 PolarHBondContact O-N 3.14Å; L69-G72 PolarHBondContact O-N 3.37Å; L69-F73 HydrophobicContact CD2-CE2 4.49Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.4Å; L69-Y207 HydrophobicContact CD2-CD1 4.49Å; L69-Y207 HydrophobicContact CD2-CD2 3.78Å; L69-Y207 HydrophobicContact CD2-CE1 4.36Å; L69-Y207 HydrophobicContact CD2-CE2 3.62Å; L69-Y207 HydrophobicContact CD2-CG 4.21Å; L69-Y207 HydrophobicContact CG-CD2 4.01Å; L69-Y207 HydrophobicContact CG-CE2 3.67Å |
| 70 | G | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S66 V67 S68 F73 A74 | S66-G70 PolarHBondContact O-N 2.71Å; V67-G70 PolarHBondContact O-N 2.93Å; S68-G70 VanDerWaalsContact C-N 3.34Å; S68-G70 PolarHBondContact O-N 2.96Å; G70-F73 PolarHBondContact O-N 2.87Å; G70-A74 VanDerWaalsContact O-CB 3.26Å; G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.34Å |
| 71 | W | 98.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 172.7 | -82 | 106.1 | 0 | 0 | 0 | 113 | L40 M41 G44 L48 V67 S68 L69 A74 V75 V206 V210 R225 | L40-W71 HydrophobicContact CD1-CE3 4.45Å; L40-W71 HydrophobicContact CD1-CZ3 4.27Å; L40-W71 HydrophobicContact CG-CZ3 4.44Å; M41-W71 HydrophobicContact CE-CH2 4.03Å; M41-W71 HydrophobicContact SD-CH2 4.2Å; G44-W71 VanDerWaalsContact C-CZ2 3.49Å; L48-W71 HydrophobicContact CD1-CZ2 3.85Å; V67-W71 VanDerWaalsContact O-CD1 3.26Å; V67-W71 PolarHBondContact O-N 3.13Å; S68-W71 PolarHBondContact O-N 2.87Å; L69-W71 PolarHBondContact O-N 3.14Å; W71-A74 HydrophobicContact CE3-CB 4.43Å; W71-A74 WeakPolarHBondContact O-CB 3.43Å; W71-A74 PolarHBondContact O-N 2.97Å; W71-V75 PolarHBondContact O-N 3.41Å; W71-V75 VanDerWaalsContact O-N 3.07Å; W71-V206 HydrophobicContact CB-CG1 4.2Å; W71-V210 HydrophobicContact CB-CG2 3.95Å; W71-V210 HydrophobicContact CG-CG2 4.35Å; W71-R225 HydrophobicContact CH2-CG 3.73Å; W71-R225 VanDerWaalsContact CH2-NE 3.28Å; W71-R225 HydrophobicContact CZ3-CG 3.8Å |
| 72 | G | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -51.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S68 L69 A74 V75 Y76 A203 | S68-G72 PolarHBondContact O-N 2.94Å; L69-G72 PolarHBondContact O-N 3.37Å; G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.26Å; G72-V75 PolarHBondContact O-N 3.02Å; G72-Y76 PolarHBondContact O-N 3.18Å; G72-A203 WeakPolarHBondContact CA-O 3.48Å; G72-A203 WeakPolarHBondContact O-CA 3.36Å; G72-A203 WeakPolarHBondContact O-CB 3.29Å |
| 73 | F | 98.7 | Very high | 96.7 | Very high | 118 Ų | 118 | 45.5 Ų | 45.5 | 52% | 0.518 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.6 | -28.1 | 176.8 | -73.9 | -60.5 | 0 | 0 | 0 | 113.6 | L69 G70 V75 Y76 M77 | L69-F73 HydrophobicContact CD2-CE2 4.49Å; L69-F73 WeakPolarHBondContact O-CD2 3.35Å; L69-F73 PolarHBondContact O-N 3.4Å; G70-F73 PolarHBondContact O-N 2.87Å; F73-V75 VanDerWaalsContact C-N 3.33Å; F73-Y76 WeakPolarHBondContact O-CB 3.47Å; F73-Y76 PolarHBondContact O-N 3.06Å; F73-M77 WeakPolarHBondContact O-CG 3.2Å; F73-M77 PolarHBondContact O-N 3.41Å |
| 74 | A | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L40 F43 G70 W71 G72 A78 | L40-A74 HydrophobicContact CD1-CB 3.9Å; F43-A74 HydrophobicContact CB-CB 3.53Å; G70-A74 VanDerWaalsContact O-CB 3.26Å; G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.34Å; W71-A74 HydrophobicContact CE3-CB 4.43Å; W71-A74 WeakPolarHBondContact O-CB 3.43Å; W71-A74 PolarHBondContact O-N 2.97Å; G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.08Å |
| 75 | V | 98.6 | Very high | 95 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.7 | -43.1 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | L40 W71 G72 F73 M77 A78 V79 L202 V206 | L40-V75 HydrophobicContact CD1-CG2 3.75Å; W71-V75 PolarHBondContact O-N 3.41Å; W71-V75 VanDerWaalsContact O-N 3.07Å; G72-V75 PolarHBondContact O-N 3.02Å; F73-V75 VanDerWaalsContact C-N 3.33Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 2.78Å; V75-V79 HydrophobicContact CG1-CG2 4.1Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.4Å; V75-L202 HydrophobicContact CG1-CB 4.07Å; V75-V206 HydrophobicContact CB-CB 4.42Å; V75-V206 HydrophobicContact CB-CG2 4.16Å; V75-V206 HydrophobicContact CG1-CG2 4.16Å; V75-V206 HydrophobicContact CG2-CB 4.05Å; V75-V206 HydrophobicContact CG2-CG1 3.91Å; V75-V206 HydrophobicContact CG2-CG2 3.67Å |
| 76 | Y | 98.4 | Very high | 93.8 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -49.8 | -56.3 | 174.2 | -178.5 | -104.3 | 0 | 0 | 0 | 111.2 | G72 F73 A78 V79 M80 P199 L200 A203 | G72-Y76 PolarHBondContact O-N 3.18Å; F73-Y76 WeakPolarHBondContact O-CB 3.47Å; F73-Y76 PolarHBondContact O-N 3.06Å; Y76-A78 PolarHBondContact O-N 3.5Å; Y76-V79 PolarHBondContact O-N 3.46Å; Y76-M80 HydrophobicContact CD1-CG 4.38Å; Y76-M80 HydrophobicContact CE1-CG 4.08Å; Y76-M80 HydrophobicContact CE2-CG 4.46Å; Y76-M80 VanDerWaalsContact O-CG 3.23Å; Y76-M80 WeakPolarHBondContact O-CG 3.5Å; Y76-M80 PolarHBondContact O-N 3.03Å; Y76-P199 HydrophobicContact CD2-CB 3.77Å; Y76-P199 HydrophobicContact CE2-CB 3.88Å; Y76-L200 HydrophobicContact CD2-CB 4.35Å; Y76-L200 HydrophobicContact CE2-CB 4.09Å; Y76-L200 HydrophobicContact CE2-CD1 4.5Å; Y76-A203 HydrophobicContact CD2-CB 4.41Å |
| 77 | M | 98.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.3 | -37.4 | -177.7 | -65.6 | -56.2 | -64.4 | 0 | 0 | 112 | I39 F43 F73 V75 M80 F81 | I39-M77 HydrophobicContact CG2-CB 3.5Å; I39-M77 VanDerWaalsContact CG2-CB 3.5Å; F43-M77 HydrophobicContact CD2-CB 3.97Å; F43-M77 HydrophobicContact CD2-CG 4.17Å; F43-M77 HydrophobicContact CE2-CB 3.86Å; F43-M77 HydrophobicContact CE2-CE 4.49Å; F43-M77 HydrophobicContact CE2-CG 3.82Å; F43-M77 HydrophobicContact CZ-CG 4.08Å; F73-M77 WeakPolarHBondContact O-CG 3.2Å; F73-M77 PolarHBondContact O-N 3.41Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 3.41Å; M77-M80 PolarHBondContact O-N 3.23Å; M77-F81 HydrophobicContact CE-CD2 4.42Å; M77-F81 HydrophobicContact CE-CE2 3.73Å; M77-F81 VanDerWaalsContact O-CD2 3.24Å; M77-F81 WeakPolarHBondContact O-CD2 3.28Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-F81 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 98.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G36 L40 A74 V75 Y76 F81 S82 | G36-A78 VanDerWaalsContact O-CB 3.24Å; G36-A78 WeakPolarHBondContact O-CB 3.38Å; L40-A78 HydrophobicContact CB-CB 3.8Å; L40-A78 HydrophobicContact CD1-CB 4.36Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.08Å; V75-A78 PolarHBondContact O-N 2.78Å; Y76-A78 PolarHBondContact O-N 3.5Å; A78-F81 PolarHBondContact O-N 3Å; A78-S82 VanDerWaalsContact O-CB 3.32Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.74Å; A78-S82 PolarHBondContact O-OG 2.75Å |
| 79 | V | 97.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 179 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | V75 Y76 F81 S82 G83 P199 L202 | V75-V79 HydrophobicContact CG1-CG2 4.1Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.4Å; Y76-V79 PolarHBondContact O-N 3.46Å; V79-F81 VanDerWaalsContact C-N 3.26Å; V79-F81 PolarHBondContact O-N 2.79Å; V79-S82 WeakPolarHBondContact CA-OG 3.33Å; V79-S82 PolarHBondContact O-N 3.49Å; V79-S82 PolarHBondContact O-OG 2.85Å; V79-G83 PolarHBondContact O-N 3.4Å; V79-P199 HydrophobicContact CB-CB 4.1Å; V79-P199 HydrophobicContact CB-CG 4.31Å; V79-P199 HydrophobicContact CG1-CB 4.09Å; V79-P199 HydrophobicContact CG1-CG 3.8Å; V79-L202 HydrophobicContact CG1-CD1 4.29Å; V79-L202 HydrophobicContact CG2-CD1 3.98Å |
| 80 | M | 96 | Very high | 93.1 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.7 | -37.9 | 174.9 | -72.3 | -63.5 | -69.7 | 0 | 0 | 112.7 | Y76 M77 P199 | Y76-M80 HydrophobicContact CD1-CG 4.38Å; Y76-M80 HydrophobicContact CE1-CG 4.08Å; Y76-M80 HydrophobicContact CE2-CG 4.46Å; Y76-M80 VanDerWaalsContact O-CG 3.23Å; Y76-M80 WeakPolarHBondContact O-CG 3.5Å; Y76-M80 PolarHBondContact O-N 3.03Å; M77-M80 PolarHBondContact O-N 3.23Å; M80-P199 HydrophobicContact CG-CB 4.07Å; M80-P199 HydrophobicContact CG-CG 4.3Å; M80-P199 HydrophobicContact SD-CB 3.97Å; M80-P199 HydrophobicContact SD-CG 3.67Å |
| 81 | F | 94.4 | Very high | 93.1 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 46% | 0.456 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -84.8 | -20.4 | -179.2 | -84 | -114.6 | 0 | 0 | 0 | 113.9 | M35 I39 M77 A78 V79 | M35-F81 HydrophobicContact CG-CB 4.27Å; M35-F81 HydrophobicContact CG-CD1 3.93Å; I39-F81 HydrophobicContact CD1-CD1 4.2Å; I39-F81 HydrophobicContact CD1-CE1 4.16Å; I39-F81 HydrophobicContact CG1-CB 4.23Å; I39-F81 HydrophobicContact CG1-CD1 3.84Å; I39-F81 HydrophobicContact CG1-CD2 4.44Å; I39-F81 HydrophobicContact CG1-CE1 4.3Å; I39-F81 HydrophobicContact CG1-CG 3.91Å; M77-F81 HydrophobicContact CE-CD2 4.42Å; M77-F81 HydrophobicContact CE-CE2 3.73Å; M77-F81 VanDerWaalsContact O-CD2 3.24Å; M77-F81 WeakPolarHBondContact O-CD2 3.28Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-F81 VanDerWaalsContact O-N 3.1Å; A78-F81 PolarHBondContact O-N 3Å; V79-F81 VanDerWaalsContact C-N 3.26Å; V79-F81 PolarHBondContact O-N 2.79Å |
| 82 | S | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -107.1 | -38.1 | -173.3 | 56.2 | 0 | 0 | 0 | 0 | 114 | G32 A78 V79 Q84 C85 G86 G88 C90 | G32-S82 WeakPolarHBondContact O-CB 3.45Å; A78-S82 VanDerWaalsContact O-CB 3.32Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.74Å; A78-S82 PolarHBondContact O-OG 2.75Å; V79-S82 WeakPolarHBondContact CA-OG 3.33Å; V79-S82 PolarHBondContact O-N 3.49Å; V79-S82 PolarHBondContact O-OG 2.85Å; S82-Q84 PolarHBondContact O-N 2.84Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-C85 PolarHBondContact O-N 2.95Å; S82-C85 VanDerWaalsContact O-N 3.09Å; S82-G86 PolarHBondContact O-N 2.93Å; S82-G88 VanDerWaalsContact OG-CA 3.23Å; S82-G88 WeakPolarHBondContact OG-CA 3.37Å; S82-C90 PolarHBondContact OG-SG 3.09Å |
| 83 | G | 81 | Confident | 93.1 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V79 | V79-G83 PolarHBondContact O-N 3.4Š|
| 84 | Q | 77.9 | Confident | 93.1 | Very high | 159 Ų | 159 | 35.6 Ų | 35.6 | 74% | 0.743 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19.4 | 177.3 | -60.7 | -175.7 | 10.4 | 0 | 0 | 113.4 | S82 | S82-Q84 PolarHBondContact O-N 2.84Å; S82-Q84 VanDerWaalsContact O-N 3.14Å |
| 85 | C | 77.7 | Confident | 93.1 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -23.8 | -177.6 | -75 | 0 | 0 | 0 | 0 | 112.8 | R28 A29 S82 | R28-C85 CarbonylContact C-O 3.5Å; R28-C85 VanDerWaalsContact C-O 3.23Å; A29-C85 WeakPolarHBondContact CA-O 3.23Å; A29-C85 PolarHBondContact N-O 2.86Å; A29-C85 VanDerWaalsContact N-O 3.11Å; S82-C85 PolarHBondContact O-N 2.95Å; S82-C85 VanDerWaalsContact O-N 3.09Å |
| 86 | G | 72.2 | Confident | 93.1 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -142.8 | -160.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S82 G88 | S82-G86 PolarHBondContact O-N 2.93Å; G86-G88 VanDerWaalsContact C-N 3.28Å |
| 87 | S | 86.7 | Confident | 93.1 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | trans | -78.8 | -16.9 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | E33 H89 L104 Y112 | E33-S87 PolarHBondContact OE1-N 3.33Å; S87-H89 VanDerWaalsContact C-N 3.32Å; S87-H89 PolarHBondContact O-N 2.85Å; S87-L104 WeakPolarHBondContact OG-CD1 3.28Å; S87-Y112 WeakPolarHBondContact OG-CE2 3.26Å; S87-Y112 PolarHBondContact OG-OH 2.87Å | ||
| 88 | G | 94 | Very high | 93.1 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | trans | 72.6 | 24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E33 S82 G86 | E33-G88 PolarHBondContact OE1-N 3.39Å; S82-G88 VanDerWaalsContact OG-CA 3.23Å; S82-G88 WeakPolarHBondContact OG-CA 3.37Å; G86-G88 VanDerWaalsContact C-N 3.28Å | ||
| 89 | H | 97.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 30.7 Ų | 30.7 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | trans | -72.9 | -42.3 | -176.8 | -65.4 | 168.9 | 0 | 0 | 0 | 111.6 | E33 S87 N91 V94 T95 | E33-H89 PolarHBondContact OE1-N 3.07Å; E33-H89 PolarHBondContact OE2-N 3.48Å; S87-H89 VanDerWaalsContact C-N 3.32Å; S87-H89 PolarHBondContact O-N 2.85Å; H89-N91 VanDerWaalsContact O-CB 3.25Å; H89-N91 WeakPolarHBondContact O-CB 3.18Å; H89-N91 PolarHBondContact O-N 3.14Å; H89-V94 HydrophobicContact CB-CG1 4.31Å; H89-T95 WeakPolarHBondContact CB-OG1 3.36Å; H89-T95 WeakPolarHBondContact ND1-CA 3.28Å; H89-T95 PolarHBondContact ND1-OG1 3.4Å | ||
| 90 | C | 98.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | trans | 47.7 | 26.2 | -173.6 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | E33 G36 L40 S82 N222 | E33-C90 WeakPolarHBondContact OE2-CA 3.37Å; E33-C90 PolarHBondContact OE2-N 3.43Å; G36-C90 VanDerWaalsContact C-SG 3.55Å; G36-C90 VanDerWaalsContact CA-SG 3.57Å; L40-C90 HydrophobicContact CD2-CB 4.39Å; S82-C90 PolarHBondContact OG-SG 3.09Å; C90-N222 PolarHBondContact O-ND2 3.5Å | ||
| 91 | N | 98.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -156.1 | 115 | -167.6 | -175.1 | -23.4 | 0 | 0 | 0 | 110.3 | H89 A93 V94 T95 Q116 L221 N222 | H89-N91 VanDerWaalsContact O-CB 3.25Å; H89-N91 WeakPolarHBondContact O-CB 3.18Å; H89-N91 PolarHBondContact O-N 3.14Å; N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 2.87Å; N91-A93 WeakPolarHBondContact OD1-CB 3.07Å; N91-A93 PolarHBondContact OD1-N 2.64Å; N91-V94 HydrophobicContact CB-CB 4.08Å; N91-V94 HydrophobicContact CB-CG2 4.04Å; N91-V94 PolarHBondContact O-N 2.95Å; N91-V94 PolarHBondContact OD1-N 3.43Å; N91-T95 WeakPolarHBondContact O-CB 3.36Å; N91-T95 PolarHBondContact O-N 3.01Å; N91-T95 PolarHBondContact O-OG1 2.85Å; N91-Q116 VanDerWaalsContact C-OE1 3.32Å; N91-Q116 VanDerWaalsContact N-NE2 3.19Å; N91-L221 PolarHBondContact ND2-O 3.04Å; N91-N222 HydrophobicContact CB-CB 4.34Å; N91-N222 VanDerWaalsContact CG-CG 3.44Å; N91-N222 WeakPolarHBondContact ND2-CB 3.28Å | ||
| 92 | P | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | 178 | -27.7 | 35.1 | 0 | 0 | 0 | 114 | T95 L96 T113 Q116 N222 P223 A224 Y258 | P92-T95 WeakPolarHBondContact O-CB 3.35Å; P92-T95 PolarHBondContact O-N 3.09Å; P92-L96 PolarHBondContact O-N 3.08Å; P92-T113 HydrophobicContact CB-CG2 3.98Å; P92-T113 HydrophobicContact CG-CG2 3.98Å; P92-Q116 VanDerWaalsContact CA-OE1 3.32Å; P92-Q116 VanDerWaalsContact CD-OE1 3.23Å; P92-Q116 HydrophobicContact CG-CB 4.42Å; P92-Q116 VanDerWaalsContact CG-OE1 3.29Å; P92-N222 VanDerWaalsContact CD-OD1 3.28Å; P92-N222 WeakPolarHBondContact CD-OD1 3.49Å; P92-P223 HydrophobicContact CB-CB 4.31Å; P92-P223 HydrophobicContact CB-CG 4.3Å; P92-P223 HydrophobicContact CG-CB 4.23Å; P92-A224 VanDerWaalsContact CD-CB 3.5Å; P92-A224 HydrophobicContact CG-CB 3.75Å; P92-Y258 HydrophobicContact CB-CE1 4Å; P92-Y258 WeakPolarHBondContact CB-OH 3.44Å |
| 93 | A | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.2 | -45.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N91 T95 L96 A97 T175 P223 P257 Y258 A261 | N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 2.87Å; N91-A93 WeakPolarHBondContact OD1-CB 3.07Å; N91-A93 PolarHBondContact OD1-N 2.64Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.49Å; A93-L96 PolarHBondContact O-N 2.88Å; A93-A97 PolarHBondContact O-N 3.4Å; A93-T175 HydrophobicContact CB-CG2 4.4Å; A93-P223 HydrophobicContact CB-CG 4.13Å; A93-P257 HydrophobicContact CB-CB 3.98Å; A93-P257 WeakPolarHBondContact CB-O 3.17Å; A93-Y258 HydrophobicContact CB-CD1 4.05Å; A93-Y258 HydrophobicContact CB-CE1 4.49Å; A93-Y258 HydrophobicContact CB-CG 4.47Å; A93-A261 VanDerWaalsContact C-CB 3.5Å; A93-A261 HydrophobicContact CB-CB 3.73Å; A93-A261 VanDerWaalsContact O-CB 3.28Å; A93-A261 WeakPolarHBondContact O-CB 3.34Å |
| 94 | V | 98.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 173.1 | 175 | 0 | 0 | 0 | 0 | 110.7 | H89 N91 A97 A98 L178 | H89-V94 HydrophobicContact CB-CG1 4.31Å; N91-V94 HydrophobicContact CB-CB 4.08Å; N91-V94 HydrophobicContact CB-CG2 4.04Å; N91-V94 PolarHBondContact O-N 2.95Å; N91-V94 PolarHBondContact OD1-N 3.43Å; V94-A97 PolarHBondContact O-N 3.27Å; V94-A98 WeakPolarHBondContact O-CB 3.42Å; V94-A98 PolarHBondContact O-N 3.42Å; V94-L178 HydrophobicContact CG2-CD2 4.36Å |
| 95 | T | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | H89 N91 P92 A93 A99 L104 I109 Y112 Q116 | H89-T95 WeakPolarHBondContact CB-OG1 3.36Å; H89-T95 WeakPolarHBondContact ND1-CA 3.28Å; H89-T95 PolarHBondContact ND1-OG1 3.4Å; N91-T95 WeakPolarHBondContact O-CB 3.36Å; N91-T95 PolarHBondContact O-N 3.01Å; N91-T95 PolarHBondContact O-OG1 2.85Å; P92-T95 WeakPolarHBondContact O-CB 3.35Å; P92-T95 PolarHBondContact O-N 3.09Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 3.49Å; T95-A99 PolarHBondContact O-N 3.39Å; T95-A99 VanDerWaalsContact O-N 3.15Å; T95-L104 HydrophobicContact CG2-CD2 3.5Å; T95-I109 HydrophobicContact CG2-CG1 4.25Å; T95-Y112 HydrophobicContact CG2-CD2 3.68Å; T95-Y112 HydrophobicContact CG2-CG 4.2Å; T95-Q116 PolarHBondContact OG1-NE2 3.47Å |
| 96 | L | 98.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 30.4 Ų | 30.4 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 174.2 | 175.8 | 63.6 | 0 | 0 | 0 | 111 | P92 A93 A98 A99 V100 I109 Y258 V262 | P92-L96 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 2.88Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3Å; L96-A99 WeakPolarHBondContact O-CB 3.46Å; L96-A99 PolarHBondContact O-N 3.5Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.23Å; L96-I109 HydrophobicContact CD1-CD1 3.96Å; L96-Y258 HydrophobicContact CB-CD1 4.11Å; L96-Y258 HydrophobicContact CB-CE1 4.24Å; L96-Y258 HydrophobicContact CD2-CD1 3.56Å; L96-Y258 HydrophobicContact CD2-CE1 4.22Å; L96-Y258 HydrophobicContact CD2-CG 4.36Å; L96-Y258 HydrophobicContact CG-CD1 4.49Å; L96-V262 HydrophobicContact CD2-CG2 3.88Å; L96-V262 HydrophobicContact CG-CG2 4.03Å |
| 97 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A93 V94 A99 V100 V101 T179 F183 A261 | A93-A97 PolarHBondContact O-N 3.4Å; V94-A97 PolarHBondContact O-N 3.27Å; A97-A99 VanDerWaalsContact C-N 3.25Å; A97-A99 PolarHBondContact O-N 3.06Å; A97-V100 PolarHBondContact O-N 3.17Å; A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.2Å; A97-T179 HydrophobicContact CB-CG2 3.64Å; A97-F183 HydrophobicContact CB-CZ 4.33Å; A97-A261 HydrophobicContact CB-CB 3.91Å; A97-A261 VanDerWaalsContact CB-O 3.29Å; A97-A261 WeakPolarHBondContact CB-O 3.34Å |
| 98 | A | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V94 L96 G102 K103 L104 F183 | V94-A98 WeakPolarHBondContact O-CB 3.42Å; V94-A98 PolarHBondContact O-N 3.42Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3Å; A98-G102 PolarHBondContact O-N 3.23Å; A98-K103 HydrophobicContact CB-CB 4.31Å; A98-K103 WeakPolarHBondContact O-CA 3.38Å; A98-K103 WeakPolarHBondContact O-CB 3.28Å; A98-K103 PolarHBondContact O-N 2.91Å; A98-L104 HydrophobicContact CB-CB 4.06Å; A98-L104 PolarHBondContact O-N 3.41Å; A98-L104 VanDerWaalsContact O-N 3.16Å; A98-F183 HydrophobicContact CB-CE1 4.37Å; A98-F183 HydrophobicContact CB-CZ 4.21Å |
| 99 | A | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.3 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T95 L96 A97 V101 G102 L104 F106 I109 | T95-A99 PolarHBondContact O-N 3.39Å; T95-A99 VanDerWaalsContact O-N 3.15Å; L96-A99 WeakPolarHBondContact O-CB 3.46Å; L96-A99 PolarHBondContact O-N 3.5Å; A97-A99 VanDerWaalsContact C-N 3.25Å; A97-A99 PolarHBondContact O-N 3.06Å; A99-V101 VanDerWaalsContact C-N 3.29Å; A99-V101 PolarHBondContact O-N 2.97Å; A99-G102 PolarHBondContact O-N 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.33Å; A99-L104 HydrophobicContact CB-CB 4.34Å; A99-L104 WeakPolarHBondContact CB-O 3.45Å; A99-F106 HydrophobicContact CB-CD1 3.98Å; A99-F106 HydrophobicContact CB-CD2 4.31Å; A99-F106 HydrophobicContact CB-CE1 4Å; A99-F106 HydrophobicContact CB-CE2 4.34Å; A99-F106 HydrophobicContact CB-CG 4.13Å; A99-F106 HydrophobicContact CB-CZ 4.19Å; A99-F106 VanDerWaalsContact O-CE2 3.29Å; A99-F106 WeakPolarHBondContact O-CE2 3.1Å; A99-I109 HydrophobicContact CB-CD1 3.7Å; A99-I109 HydrophobicContact CB-CG1 4.11Å |
| 100 | V | 98.5 | Very high | 97.4 | Very high | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L96 A97 G102 F106 V262 I266 | L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.23Å; A97-V100 PolarHBondContact O-N 3.17Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.9Å; V100-F106 HydrophobicContact CG2-CE1 4.46Å; V100-F106 HydrophobicContact CG2-CZ 4.37Å; V100-V262 HydrophobicContact CG1-CG1 4.35Å; V100-V262 HydrophobicContact CG2-CG2 4.3Å; V100-I266 HydrophobicContact CG1-CD1 4.3Å; V100-I266 HydrophobicContact CG1-CG1 4.37Å |
| 101 | V | 97.2 | Very high | 97.4 | Very high | 36 Ų | 36 | 47 Ų | 47 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11.7 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | A97 A99 K103 F183 E269 | A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.2Å; A99-V101 VanDerWaalsContact C-N 3.29Å; A99-V101 PolarHBondContact O-N 2.97Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 HydrophobicContact CG2-CB 4.31Å; V101-K103 HydrophobicContact CG2-CD 3.82Å; V101-K103 HydrophobicContact CG2-CG 3.88Å; V101-K103 PolarHBondContact O-N 3.4Å; V101-F183 HydrophobicContact CB-CE2 4.48Å; V101-F183 HydrophobicContact CG1-CE2 4.23Å; V101-F183 HydrophobicContact CG2-CD2 4.35Å; V101-F183 HydrophobicContact CG2-CE2 3.48Å; V101-F183 VanDerWaalsContact CG2-CE2 3.48Å; V101-F183 HydrophobicContact CG2-CZ 3.86Å; V101-E269 HydrophobicContact CB-CG 4.03Å; V101-E269 HydrophobicContact CG1-CG 3.95Å |
| 102 | G | 95.5 | Very high | 97.4 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 67% | 0.67 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116 | A98 A99 V100 | A98-G102 PolarHBondContact O-N 3.23Å; A99-G102 PolarHBondContact O-N 3.5Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.9Å |
| 103 | K | 93.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -81.6 | -12.3 | 176.6 | -66.6 | 177 | -175.1 | 176.6 | 0 | 113.4 | A98 V101 F183 E269 | A98-K103 HydrophobicContact CB-CB 4.31Å; A98-K103 WeakPolarHBondContact O-CA 3.38Å; A98-K103 WeakPolarHBondContact O-CB 3.28Å; A98-K103 PolarHBondContact O-N 2.91Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 HydrophobicContact CG2-CB 4.31Å; V101-K103 HydrophobicContact CG2-CD 3.82Å; V101-K103 HydrophobicContact CG2-CG 3.88Å; V101-K103 PolarHBondContact O-N 3.4Å; K103-F183 HydrophobicContact CD-CE1 4.44Å; K103-F183 HydrophobicContact CD-CZ 4.46Å; K103-E269 WeakPolarHBondContact CE-OE1 3.24Å; K103-E269 IonicContact NZ-OE1 3.1Å; K103-E269 PolarHBondContact NZ-OE1 2.77Å |
| 104 | L | 94.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -144.3 | 137.7 | 178.9 | -166.8 | 76.1 | 0 | 0 | 0 | 111.9 | S87 T95 A98 A99 F106 R108 Y112 | S87-L104 WeakPolarHBondContact OG-CD1 3.28Å; T95-L104 HydrophobicContact CG2-CD2 3.5Å; A98-L104 HydrophobicContact CB-CB 4.06Å; A98-L104 PolarHBondContact O-N 3.41Å; A98-L104 VanDerWaalsContact O-N 3.16Å; A99-L104 WeakPolarHBondContact CA-O 3.33Å; A99-L104 HydrophobicContact CB-CB 4.34Å; A99-L104 WeakPolarHBondContact CB-O 3.45Å; L104-F106 PolarHBondContact O-N 3.3Å; L104-R108 HydrophobicContact CD2-CB 4.18Å; L104-R108 HydrophobicContact CG-CB 4.32Å; L104-Y112 HydrophobicContact CD1-CE2 4.24Å; L104-Y112 HydrophobicContact CD2-CD2 4.26Å; L104-Y112 HydrophobicContact CD2-CE2 4.05Å |
| 105 | P | 95.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 56 Ų | 56 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | trans | -64 | 130.5 | 172.5 | -21.1 | 32.3 | 0 | 0 | 0 | 112 | R107 R108 | P105-R107 PolarHBondContact O-N 3.4Å; P105-R108 HydrophobicContact CB-CG 4.49Å; P105-R108 WeakPolarHBondContact O-CB 3.28Å; P105-R108 PolarHBondContact O-N 3.46Å | ||
| 106 | F | 97.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.544 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -52.3 | -33.2 | 178.8 | -80.8 | -88.3 | 0 | 0 | 0 | 113.9 | A99 V100 L104 R108 I109 | A99-F106 HydrophobicContact CB-CD1 3.98Å; A99-F106 HydrophobicContact CB-CD2 4.31Å; A99-F106 HydrophobicContact CB-CE1 4Å; A99-F106 HydrophobicContact CB-CE2 4.34Å; A99-F106 HydrophobicContact CB-CG 4.13Å; A99-F106 HydrophobicContact CB-CZ 4.19Å; A99-F106 VanDerWaalsContact O-CE2 3.29Å; A99-F106 WeakPolarHBondContact O-CE2 3.1Å; V100-F106 HydrophobicContact CG2-CE1 4.46Å; V100-F106 HydrophobicContact CG2-CZ 4.37Å; L104-F106 PolarHBondContact O-N 3.3Å; F106-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact O-N 3.07Å; F106-I109 HydrophobicContact CB-CD1 4.31Å; F106-I109 HydrophobicContact CD1-CD1 3.5Å; F106-I109 HydrophobicContact CE1-CD1 4.18Å; F106-I109 HydrophobicContact CG-CD1 4.24Å; F106-I109 WeakPolarHBondContact O-CB 3.25Å; F106-I109 WeakPolarHBondContact O-CG1 3.3Å; F106-I109 PolarHBondContact O-N 3.22Å |
| 107 | R | 96.4 | Very high | 97.4 | Very high | 202 Ų | 202 | 55.6 Ų | 55.6 | 76% | 0.762 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -58 | -23.8 | 177.9 | -174 | 173.9 | 178.5 | 137.3 | 0.3 | 113.2 | P105 F111 | P105-R107 PolarHBondContact O-N 3.4Å; R107-F111 HydrophobicContact CG-CE2 4.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.4Å; R107-F111 WeakPolarHBondContact O-CE2 3.36Å |
| 108 | R | 95.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 58.7 Ų | 58.7 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -77 | -25 | 179.2 | -62.2 | -165.6 | -179.4 | -171.3 | 6.5 | 113.3 | L26 L104 P105 F106 F111 Y112 | L26-R108 HydrophobicContact CD1-CG 4.08Å; L104-R108 HydrophobicContact CD2-CB 4.18Å; L104-R108 HydrophobicContact CG-CB 4.32Å; P105-R108 HydrophobicContact CB-CG 4.49Å; P105-R108 WeakPolarHBondContact O-CB 3.28Å; P105-R108 PolarHBondContact O-N 3.46Å; F106-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact O-N 3.07Å; R108-F111 PolarHBondContact O-N 2.89Å; R108-Y112 HydrophobicContact CB-CD1 4.12Å; R108-Y112 HydrophobicContact CB-CE1 4.01Å; R108-Y112 HydrophobicContact CG-CE1 4.44Å; R108-Y112 PolarHBondContact NH1-OH 3.44Å; R108-Y112 WeakPolarHBondContact O-CB 3.1Å; R108-Y112 PolarHBondContact O-N 2.83Å |
| 109 | I | 97.8 | Very high | 97.4 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -51.3 | -58.3 | -174.7 | -60.8 | 169.5 | 0 | 0 | 0 | 112.2 | T95 L96 A99 F106 F111 Y112 T113 | T95-I109 HydrophobicContact CG2-CG1 4.25Å; L96-I109 HydrophobicContact CD1-CD1 3.96Å; A99-I109 HydrophobicContact CB-CD1 3.7Å; A99-I109 HydrophobicContact CB-CG1 4.11Å; F106-I109 HydrophobicContact CB-CD1 4.31Å; F106-I109 HydrophobicContact CD1-CD1 3.5Å; F106-I109 HydrophobicContact CE1-CD1 4.18Å; F106-I109 HydrophobicContact CG-CD1 4.24Å; F106-I109 WeakPolarHBondContact O-CB 3.25Å; F106-I109 WeakPolarHBondContact O-CG1 3.3Å; F106-I109 PolarHBondContact O-N 3.22Å; I109-F111 VanDerWaalsContact C-N 3.3Å; I109-F111 PolarHBondContact O-N 3.5Å; I109-Y112 PolarHBondContact O-N 3.36Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 2.91Å |
| 110 | P | 98.2 | Very high | 97.4 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | -175.3 | 23.6 | -34.8 | 0 | 0 | 0 | 112.9 | F114 | P110-F114 WeakPolarHBondContact O-CB 3.41Å; P110-F114 PolarHBondContact O-N 3.24Å |
| 111 | F | 97.7 | Very high | 97.4 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.5 | -48.6 | 178.1 | -59.7 | -74.5 | 0 | 0 | 0 | 111.3 | L26 R107 R108 I109 T113 F114 F115 | L26-F111 HydrophobicContact CD1-CB 4.44Å; L26-F111 HydrophobicContact CD1-CD2 4.43Å; L26-F111 HydrophobicContact CD2-CD2 4.03Å; L26-F111 HydrophobicContact CD2-CE2 4.19Å; L26-F111 HydrophobicContact CD2-CG 4.41Å; R107-F111 HydrophobicContact CG-CE2 4.4Å; R107-F111 WeakPolarHBondContact O-CD2 3.4Å; R107-F111 WeakPolarHBondContact O-CE2 3.36Å; R108-F111 PolarHBondContact O-N 2.89Å; I109-F111 VanDerWaalsContact C-N 3.3Å; I109-F111 PolarHBondContact O-N 3.5Å; F111-T113 PolarHBondContact O-N 3.39Å; F111-F114 PolarHBondContact O-N 2.92Å; F111-F115 VanDerWaalsContact O-CD2 3.27Å; F111-F115 WeakPolarHBondContact O-CD2 3.13Å; F111-F115 PolarHBondContact O-N 3.29Å |
| 112 | Y | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 176.7 | -82.6 | 28 | 0 | 0 | 0 | 110.4 | L26 A29 E33 S87 T95 L104 R108 I109 F114 F115 Q116 | L26-Y112 HydrophobicContact CD1-CE1 4.41Å; A29-Y112 HydrophobicContact CB-CE1 3.71Å; A29-Y112 WeakPolarHBondContact CB-OH 3.37Å; E33-Y112 HydrophobicContact CG-CD1 4.13Å; E33-Y112 HydrophobicContact CG-CD2 3.74Å; E33-Y112 HydrophobicContact CG-CE1 4.27Å; E33-Y112 HydrophobicContact CG-CE2 3.9Å; E33-Y112 HydrophobicContact CG-CG 3.88Å; S87-Y112 WeakPolarHBondContact OG-CE2 3.26Å; S87-Y112 PolarHBondContact OG-OH 2.87Å; T95-Y112 HydrophobicContact CG2-CD2 3.68Å; T95-Y112 HydrophobicContact CG2-CG 4.2Å; L104-Y112 HydrophobicContact CD1-CE2 4.24Å; L104-Y112 HydrophobicContact CD2-CD2 4.26Å; L104-Y112 HydrophobicContact CD2-CE2 4.05Å; R108-Y112 HydrophobicContact CB-CD1 4.12Å; R108-Y112 HydrophobicContact CB-CE1 4.01Å; R108-Y112 HydrophobicContact CG-CE1 4.44Å; R108-Y112 PolarHBondContact NH1-OH 3.44Å; R108-Y112 WeakPolarHBondContact O-CB 3.1Å; R108-Y112 PolarHBondContact O-N 2.83Å; I109-Y112 PolarHBondContact O-N 3.36Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 3.09Å; Y112-F115 PolarHBondContact O-N 3.04Å; Y112-Q116 VanDerWaalsContact O-CB 3.28Å; Y112-Q116 WeakPolarHBondContact O-CB 3.45Å; Y112-Q116 WeakPolarHBondContact O-CG 3.42Å; Y112-Q116 PolarHBondContact O-N 2.82Å; Y112-Q116 PolarHBondContact O-OE1 3.42Å |
| 113 | T | 98.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -45.3 | 179.5 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | P92 I109 F111 Q116 I117 | P92-T113 HydrophobicContact CB-CG2 3.98Å; P92-T113 HydrophobicContact CG-CG2 3.98Å; I109-T113 WeakPolarHBondContact O-CB 3.46Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 2.91Å; F111-T113 PolarHBondContact O-N 3.39Å; T113-Q116 PolarHBondContact O-N 2.88Å; T113-I117 HydrophobicContact CG2-CD1 3.72Å; T113-I117 WeakPolarHBondContact O-CB 3.17Å; T113-I117 WeakPolarHBondContact O-CD1 3.28Å; T113-I117 VanDerWaalsContact O-CG1 3.28Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.43Å |
| 114 | F | 98.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 55% | 0.548 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 177 | 175.6 | -97.3 | 0 | 0 | 0 | 112 | P110 F111 Y112 Q116 I117 L118 | P110-F114 WeakPolarHBondContact O-CB 3.41Å; P110-F114 PolarHBondContact O-N 3.24Å; F111-F114 PolarHBondContact O-N 2.92Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 3.09Å; F114-Q116 PolarHBondContact O-N 3.35Å; F114-I117 PolarHBondContact O-N 3.04Å; F114-L118 HydrophobicContact CE1-CD2 4.17Å; F114-L118 HydrophobicContact CZ-CD2 4.42Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.47Å |
| 115 | F | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 26% | 0.263 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.3 | -31.5 | -178.3 | -81.4 | -73 | 0 | 0 | 0 | 113.1 | C30 F34 F111 Y112 G119 | C30-F115 HydrophobicContact CB-CD2 3.48Å; C30-F115 VanDerWaalsContact CB-CD2 3.48Å; C30-F115 HydrophobicContact CB-CE2 3.75Å; C30-F115 HydrophobicContact CB-CG 4.01Å; C30-F115 HydrophobicContact CB-CZ 4.47Å; F34-F115 HydrophobicContact CB-CB 4.08Å; F34-F115 HydrophobicContact CB-CD1 4.02Å; F34-F115 HydrophobicContact CB-CG 4.45Å; F34-F115 HydrophobicContact CD2-CD1 4.22Å; F34-F115 HydrophobicContact CG-CD1 4.28Å; F111-F115 VanDerWaalsContact O-CD2 3.27Å; F111-F115 WeakPolarHBondContact O-CD2 3.13Å; F111-F115 PolarHBondContact O-N 3.29Å; Y112-F115 PolarHBondContact O-N 3.04Å; F115-G119 PolarHBondContact O-N 3.49Å |
| 116 | Q | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 173.3 | -71.4 | 162 | -14.6 | 0 | 0 | 111.1 | E33 S37 N91 P92 T95 Y112 T113 F114 G119 A120 A224 | E33-Q116 HydrophobicContact CB-CG 4.07Å; E33-Q116 PolarHBondContact OE2-NE2 2.69Å; S37-Q116 WeakPolarHBondContact CB-O 3.37Å; S37-Q116 WeakPolarHBondContact OG-CA 3.43Å; N91-Q116 VanDerWaalsContact C-OE1 3.32Å; N91-Q116 VanDerWaalsContact N-NE2 3.19Å; P92-Q116 VanDerWaalsContact CA-OE1 3.32Å; P92-Q116 VanDerWaalsContact CD-OE1 3.23Å; P92-Q116 HydrophobicContact CG-CB 4.42Å; P92-Q116 VanDerWaalsContact CG-OE1 3.29Å; T95-Q116 PolarHBondContact OG1-NE2 3.47Å; Y112-Q116 VanDerWaalsContact O-CB 3.28Å; Y112-Q116 WeakPolarHBondContact O-CB 3.45Å; Y112-Q116 WeakPolarHBondContact O-CG 3.42Å; Y112-Q116 PolarHBondContact O-N 2.82Å; Y112-Q116 PolarHBondContact O-OE1 3.42Å; T113-Q116 PolarHBondContact O-N 2.88Å; F114-Q116 PolarHBondContact O-N 3.35Å; Q116-G119 PolarHBondContact O-N 3.43Å; Q116-A120 WeakPolarHBondContact O-CB 3.44Å; Q116-A120 PolarHBondContact O-N 3.46Å; Q116-A224 HydrophobicContact CB-CB 3.79Å |
| 117 | I | 98.9 | Very high | 98.3 | Very high | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.179 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 177 | -68.4 | 164.2 | 0 | 0 | 0 | 110.7 | T113 F114 G119 A120 F121 A224 L227 L231 | T113-I117 HydrophobicContact CG2-CD1 3.72Å; T113-I117 WeakPolarHBondContact O-CB 3.17Å; T113-I117 WeakPolarHBondContact O-CD1 3.28Å; T113-I117 VanDerWaalsContact O-CG1 3.28Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.43Å; F114-I117 PolarHBondContact O-N 3.04Å; I117-G119 PolarHBondContact O-N 3.25Å; I117-A120 PolarHBondContact O-N 2.85Å; I117-F121 WeakPolarHBondContact O-CB 3.48Å; I117-F121 PolarHBondContact O-N 3.26Å; I117-A224 HydrophobicContact CG1-CB 3.97Å; I117-L227 HydrophobicContact CD1-CD2 3.94Å; I117-L231 HydrophobicContact CG2-CD1 4.22Å |
| 118 | L | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 178.7 | -175.8 | 63.9 | 0 | 0 | 0 | 111.7 | F34 F114 F121 L122 | F34-L118 HydrophobicContact CD2-CB 4.47Å; F34-L118 HydrophobicContact CD2-CD2 4.44Å; F34-L118 HydrophobicContact CD2-CG 4.41Å; F34-L118 HydrophobicContact CE2-CB 4.39Å; F34-L118 HydrophobicContact CE2-CD2 4.03Å; F34-L118 HydrophobicContact CE2-CG 3.9Å; F114-L118 HydrophobicContact CE1-CD2 4.17Å; F114-L118 HydrophobicContact CZ-CD2 4.42Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.47Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.92Å; L118-L122 VanDerWaalsContact O-N 3.08Å |
| 119 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I38 F115 Q116 I117 F121 L122 G123 | I38-G119 WeakPolarHBondContact CA-O 3.25Å; I38-G119 VanDerWaalsContact CG1-O 3.27Å; I38-G119 WeakPolarHBondContact CG1-O 3.45Å; F115-G119 PolarHBondContact O-N 3.49Å; Q116-G119 PolarHBondContact O-N 3.43Å; I117-G119 PolarHBondContact O-N 3.25Å; G119-F121 VanDerWaalsContact C-N 3.35Å; G119-F121 PolarHBondContact O-N 2.79Å; G119-L122 PolarHBondContact O-N 3.26Å; G119-G123 PolarHBondContact O-N 3.27Å |
| 120 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M41 Q116 I117 S124 A224 | M41-A120 VanDerWaalsContact CG-CA 3.46Å; M41-A120 HydrophobicContact CG-CB 3.61Å; M41-A120 WeakPolarHBondContact CG-O 3.44Å; M41-A120 HydrophobicContact SD-CB 4.44Å; Q116-A120 WeakPolarHBondContact O-CB 3.44Å; Q116-A120 PolarHBondContact O-N 3.46Å; I117-A120 PolarHBondContact O-N 2.85Å; A120-S124 PolarHBondContact O-N 2.92Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 3.07Å; A120-A224 HydrophobicContact CB-CB 4.45Å; A120-A224 WeakPolarHBondContact CB-O 3.36Å |
| 121 | F | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -51.8 | 171.8 | 174.8 | -81.9 | 0 | 0 | 0 | 111.7 | I117 L118 G119 S124 L125 G228 L231 M232 I235 F236 | I117-F121 WeakPolarHBondContact O-CB 3.48Å; I117-F121 PolarHBondContact O-N 3.26Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.43Å; G119-F121 VanDerWaalsContact C-N 3.35Å; G119-F121 PolarHBondContact O-N 2.79Å; F121-S124 PolarHBondContact O-N 3.01Å; F121-L125 HydrophobicContact CE1-CD2 4.32Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 PolarHBondContact O-N 3.18Å; F121-G228 WeakPolarHBondContact CD2-O 3.16Å; F121-L231 HydrophobicContact CD2-CB 3.97Å; F121-L231 HydrophobicContact CE2-CB 4.27Å; F121-M232 HydrophobicContact CD2-CB 3.75Å; F121-M232 VanDerWaalsContact CE2-CA 3.45Å; F121-M232 HydrophobicContact CE2-CB 3.76Å; F121-M232 HydrophobicContact CE2-CG 4.45Å; F121-M232 HydrophobicContact CG-CB 4.41Å; F121-M232 HydrophobicContact CZ-CB 4.4Å; F121-I235 HydrophobicContact CE2-CD1 4.1Å; F121-I235 HydrophobicContact CZ-CD1 4.32Å; F121-F236 HydrophobicContact CZ-CE2 4.17Å |
| 122 | L | 98.9 | Very high | 98.7 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70 | -38.7 | -176.8 | -69.8 | 177.1 | 0 | 0 | 0 | 112.5 | F34 I38 L118 G119 S124 L125 V126 | F34-L122 HydrophobicContact CE2-CD1 3.81Å; F34-L122 HydrophobicContact CZ-CD1 3.67Å; I38-L122 HydrophobicContact CD1-CB 4.49Å; I38-L122 HydrophobicContact CG1-CB 4.32Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.92Å; L118-L122 VanDerWaalsContact O-N 3.08Å; G119-L122 PolarHBondContact O-N 3.26Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 2.96Å; L122-L125 HydrophobicContact CD2-CD2 4.38Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.9Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 2.68Å |
| 123 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G119 V126 V127 | G119-G123 PolarHBondContact O-N 3.27Å; G123-V126 PolarHBondContact O-N 3.46Å; G123-V127 PolarHBondContact O-N 3.33Å |
| 124 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -33.6 | 173.3 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | M41 A120 F121 L122 V126 V127 F128 F156 P229 | M41-S124 VanDerWaalsContact CE-OG 3.31Å; M41-S124 WeakPolarHBondContact CE-OG 3.34Å; A120-S124 PolarHBondContact O-N 2.92Å; A120-S124 VanDerWaalsContact O-N 3.08Å; A120-S124 PolarHBondContact O-OG 3.07Å; F121-S124 PolarHBondContact O-N 3.01Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 2.96Å; S124-V126 VanDerWaalsContact C-N 3.31Å; S124-V126 PolarHBondContact O-N 2.64Å; S124-V127 PolarHBondContact O-N 3.43Å; S124-F128 WeakPolarHBondContact O-CB 3.42Å; S124-F128 PolarHBondContact O-N 3.29Å; S124-F156 WeakPolarHBondContact O-CE1 3.08Å; S124-P229 WeakPolarHBondContact OG-CB 3.18Å; S124-P229 WeakPolarHBondContact OG-CG 3.38Å |
| 125 | L | 98.8 | Very high | 98.7 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.8 | -177.1 | 62.4 | 0 | 0 | 0 | 111.7 | F121 L122 F128 A129 M232 F236 | F121-L125 HydrophobicContact CE1-CD2 4.32Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 PolarHBondContact O-N 3.18Å; L122-L125 HydrophobicContact CD2-CD2 4.38Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.9Å; L125-F128 HydrophobicContact CD1-CD1 4.19Å; L125-F128 PolarHBondContact O-N 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.41Å; L125-M232 HydrophobicContact CB-CG 4.19Å; L125-M232 HydrophobicContact CD1-CG 4.21Å; L125-F236 HydrophobicContact CD1-CD1 4.47Å; L125-F236 HydrophobicContact CD1-CD2 4.07Å; L125-F236 HydrophobicContact CD1-CE1 4.24Å; L125-F236 HydrophobicContact CD1-CE2 3.84Å; L125-F236 HydrophobicContact CD1-CG 4.39Å; L125-F236 HydrophobicContact CD1-CZ 3.93Å |
| 126 | V | 98.9 | Very high | 98.7 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 38% | 0.376 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -48.1 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I42 L122 G123 S124 F128 A129 L130 | I42-V126 HydrophobicContact CD1-CB 4.37Å; I42-V126 HydrophobicContact CD1-CG1 4.13Å; I42-V126 HydrophobicContact CG1-CB 4.27Å; I42-V126 HydrophobicContact CG1-CG1 4.22Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 2.68Å; G123-V126 PolarHBondContact O-N 3.46Å; S124-V126 VanDerWaalsContact C-N 3.31Å; S124-V126 PolarHBondContact O-N 2.64Å; V126-F128 PolarHBondContact O-N 3.19Å; V126-A129 PolarHBondContact O-N 3.36Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CG 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.5Å |
| 127 | V | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | I42 A49 G123 S124 A129 L130 Y131 F156 | I42-V127 WeakPolarHBondContact O-CG2 3.39Å; A49-V127 HydrophobicContact CB-CG1 4.24Å; G123-V127 PolarHBondContact O-N 3.33Å; S124-V127 PolarHBondContact O-N 3.43Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.5Å; V127-L130 PolarHBondContact O-N 2.93Å; V127-Y131 HydrophobicContact CG1-CD2 3.81Å; V127-Y131 HydrophobicContact CG1-CE2 4.23Å; V127-Y131 WeakPolarHBondContact O-CD2 3.49Å; V127-Y131 PolarHBondContact O-N 3.4Å; V127-F156 HydrophobicContact CB-CE1 4.16Å; V127-F156 HydrophobicContact CG1-CE1 4.09Å |
| 128 | F | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 174.8 | 173.4 | -107.9 | 0 | 0 | 0 | 111.8 | S124 L125 V126 L130 Y131 R132 I135 F156 M232 F236 W238 | S124-F128 WeakPolarHBondContact O-CB 3.42Å; S124-F128 PolarHBondContact O-N 3.29Å; L125-F128 HydrophobicContact CD1-CD1 4.19Å; L125-F128 PolarHBondContact O-N 3.24Å; V126-F128 PolarHBondContact O-N 3.19Å; F128-L130 PolarHBondContact O-N 2.91Å; F128-Y131 PolarHBondContact O-N 3.44Å; F128-R132 HydrophobicContact CZ-CG 4.3Å; F128-R132 VanDerWaalsContact O-CA 3.24Å; F128-R132 WeakPolarHBondContact O-CA 3.5Å; F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 PolarHBondContact O-N 3.46Å; F128-I135 HydrophobicContact CD2-CD1 3.85Å; F128-I135 HydrophobicContact CE2-CD1 4.41Å; F128-F156 HydrophobicContact CB-CE1 4.14Å; F128-F156 HydrophobicContact CB-CZ 3.8Å; F128-F156 HydrophobicContact CD2-CE2 4.46Å; F128-F156 HydrophobicContact CD2-CZ 4.28Å; F128-M232 HydrophobicContact CB-CE 4.13Å; F128-M232 HydrophobicContact CB-SD 4.22Å; F128-M232 HydrophobicContact CG-SD 4.32Å; F128-F236 HydrophobicContact CE1-CB 4.07Å; F128-F236 HydrophobicContact CE1-CD1 4.27Å; F128-F236 HydrophobicContact CE1-CG 4.43Å; F128-F236 HydrophobicContact CZ-CB 4.32Å; F128-W238 HydrophobicContact CD2-CH2 4.32Å; F128-W238 HydrophobicContact CD2-CZ3 4.24Å; F128-W238 HydrophobicContact CE2-CH2 4.16Å; F128-W238 AromaticContact CE2-CZ3 3.92Å; F128-W238 HydrophobicContact CE2-CZ3 3.92Å |
| 129 | A | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 56% | 0.562 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.9 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L125 V126 V127 | L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.41Å; V126-A129 PolarHBondContact O-N 3.36Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 3.5Å |
| 130 | L | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 55.7 Ų | 55.7 | 69% | 0.686 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70 | -32.1 | -179 | -67.5 | 173.4 | 0 | 0 | 0 | 113.3 | V126 V127 F128 | V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CG 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.5Å; V127-L130 PolarHBondContact O-N 2.93Å; F128-L130 PolarHBondContact O-N 2.91Å |
| 131 | Y | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -104.6 | 8.5 | -179.6 | -73.1 | -91.3 | 0 | 0 | 0 | 113.7 | A49 Q50 L53 V127 F128 E133 K134 I135 | A49-Y131 HydrophobicContact CB-CD1 3.78Å; A49-Y131 HydrophobicContact CB-CD2 3.78Å; A49-Y131 HydrophobicContact CB-CE1 3.81Å; A49-Y131 HydrophobicContact CB-CE2 3.82Å; A49-Y131 HydrophobicContact CB-CG 3.75Å; Q50-Y131 PolarHBondContact NE2-OH 3.08Å; L53-Y131 HydrophobicContact CD1-CD1 3.84Å; L53-Y131 HydrophobicContact CD1-CG 4.26Å; V127-Y131 HydrophobicContact CG1-CD2 3.81Å; V127-Y131 HydrophobicContact CG1-CE2 4.23Å; V127-Y131 WeakPolarHBondContact O-CD2 3.49Å; V127-Y131 PolarHBondContact O-N 3.4Å; F128-Y131 PolarHBondContact O-N 3.44Å; Y131-E133 VanDerWaalsContact C-N 3.29Å; Y131-E133 PolarHBondContact O-N 3.34Å; Y131-K134 PolarHBondContact O-N 2.85Å; Y131-I135 WeakPolarHBondContact O-CG1 3.45Å; Y131-I135 PolarHBondContact O-N 3.24Å |
| 132 | R | 98.4 | Very high | 98.5 | Very high | 132 Ų | 132 | 62.8 Ų | 62.8 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.5 | -46.4 | -171.1 | -174.7 | 176.3 | 176.8 | -81.8 | -1.7 | 112.6 | F128 I135 I136 | F128-R132 HydrophobicContact CZ-CG 4.3Å; F128-R132 VanDerWaalsContact O-CA 3.24Å; F128-R132 WeakPolarHBondContact O-CA 3.5Å; F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 PolarHBondContact O-N 3.46Å; R132-I135 PolarHBondContact O-N 3.19Å; R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 VanDerWaalsContact O-CG1 3.29Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.04Å |
| 133 | E | 98.1 | Very high | 98.4 | Very high | 163 Ų | 163 | 60.8 Ų | 60.8 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 180 | -65.5 | -176.7 | 172.2 | 0 | 0 | 111.8 | Y131 I136 E137 | Y131-E133 VanDerWaalsContact C-N 3.29Å; Y131-E133 PolarHBondContact O-N 3.34Å; E133-I136 PolarHBondContact O-N 3.26Å; E133-E137 VanDerWaalsContact O-CB 3.24Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 2.82Å |
| 134 | K | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 177.1 | -69.1 | -56.8 | -175 | -177.3 | 0 | 113.1 | L53 Y131 E137 Y138 | L53-K134 HydrophobicContact CB-CB 4.36Å; L53-K134 HydrophobicContact CD1-CB 3.87Å; Y131-K134 PolarHBondContact O-N 2.85Å; K134-E137 WeakPolarHBondContact CD-OE2 3.47Å; K134-E137 IonicContact NZ-OE1 2.76Å; K134-E137 IonicContact NZ-OE2 2.91Å; K134-E137 PolarHBondContact NZ-OE2 3.04Å; K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 3.3Å |
| 135 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 173.4 | -70 | 168.7 | 0 | 0 | 0 | 110.5 | L53 F128 Y131 R132 Y138 A139 L147 T152 I155 F156 W238 | L53-I135 HydrophobicContact CD1-CG1 3.76Å; L53-I135 HydrophobicContact CD2-CG1 4.33Å; F128-I135 HydrophobicContact CD2-CD1 3.85Å; F128-I135 HydrophobicContact CE2-CD1 4.41Å; Y131-I135 WeakPolarHBondContact O-CG1 3.45Å; Y131-I135 PolarHBondContact O-N 3.24Å; R132-I135 PolarHBondContact O-N 3.19Å; I135-Y138 PolarHBondContact O-N 3.1Å; I135-A139 WeakPolarHBondContact O-CB 3.16Å; I135-A139 PolarHBondContact O-N 3.38Å; I135-L147 HydrophobicContact CG2-CD2 3.68Å; I135-T152 HydrophobicContact CG2-CG2 4.2Å; I135-I155 HydrophobicContact CD1-CD1 4.37Å; I135-I155 HydrophobicContact CG1-CD1 4.09Å; I135-F156 HydrophobicContact CD1-CE2 3.96Å; I135-F156 HydrophobicContact CD1-CZ 3.88Å; I135-W238 HydrophobicContact CG2-CH2 3.94Å; I135-W238 HydrophobicContact CG2-CZ2 4.31Å |
| 136 | I | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 70.7 Ų | 70.7 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.4 | -69 | 168.2 | 0 | 0 | 0 | 110.8 | R132 E133 A139 K140 | R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 VanDerWaalsContact O-CG1 3.29Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.04Å; E133-I136 PolarHBondContact O-N 3.26Å; I136-A139 PolarHBondContact O-N 2.97Å; I136-K140 HydrophobicContact CG2-CD 4.22Å; I136-K140 WeakPolarHBondContact O-CG 3.34Å; I136-K140 PolarHBondContact O-N 3.45Å |
| 137 | E | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 174.8 | -178.6 | 179.3 | -168.7 | 0 | 0 | 111.2 | H56 E133 K134 A139 K140 L141 | H56-E137 IonicContact CE1-OE1 3.25Å; H56-E137 PolarHBondContact CE1-OE1 3.01Å; H56-E137 IonicContact ND1-OE1 3.66Å; H56-E137 PolarHBondContact ND1-OE1 3.32Å; E133-E137 VanDerWaalsContact O-CB 3.24Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 2.82Å; K134-E137 WeakPolarHBondContact CD-OE2 3.47Å; K134-E137 IonicContact NZ-OE1 2.76Å; K134-E137 IonicContact NZ-OE2 2.91Å; K134-E137 PolarHBondContact NZ-OE2 3.04Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.42Å; E137-K140 PolarHBondContact O-N 3.47Å; E137-L141 HydrophobicContact CG-CD1 3.94Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 2.95Å |
| 138 | Y | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 11% | 0.114 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 175.3 | -178.5 | -73.1 | 0 | 0 | 0 | 111.1 | I52 L53 G57 K134 I135 K140 L141 N142 D143 T151 T152 | I52-Y138 HydrophobicContact CG2-CE2 4.33Å; L53-Y138 HydrophobicContact CD2-CD2 3.96Å; L53-Y138 HydrophobicContact CD2-CG 4Å; G57-Y138 VanDerWaalsContact CA-CE2 3.46Å; K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 3.3Å; I135-Y138 PolarHBondContact O-N 3.1Å; Y138-K140 VanDerWaalsContact C-N 3.31Å; Y138-K140 PolarHBondContact O-N 3.37Å; Y138-L141 PolarHBondContact O-N 2.67Å; Y138-N142 HydrophobicContact CD1-CB 4.15Å; Y138-N142 HydrophobicContact CE1-CB 3.81Å; Y138-N142 WeakPolarHBondContact O-CB 3.26Å; Y138-N142 PolarHBondContact O-N 3.15Å; Y138-N142 PolarHBondContact O-ND2 3.02Å; Y138-N142 VanDerWaalsContact O-ND2 3.14Å; Y138-D143 WeakPolarHBondContact CE1-OD2 3.29Å; Y138-T151 HydrophobicContact CE1-CG2 4.43Å; Y138-T152 HydrophobicContact CD1-CG2 3.37Å; Y138-T152 HydrophobicContact CE1-CG2 3.97Å; Y138-T152 HydrophobicContact CG-CG2 3.93Å |
| 139 | A | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I135 I136 E137 D143 N144 G145 A146 L147 | I135-A139 WeakPolarHBondContact O-CB 3.16Å; I135-A139 PolarHBondContact O-N 3.38Å; I136-A139 PolarHBondContact O-N 2.97Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.42Å; A139-D143 CarbonylContact O-C 3.21Å; A139-D143 VanDerWaalsContact O-CA 3.31Å; A139-D143 WeakPolarHBondContact O-CA 3.49Å; A139-D143 PolarHBondContact O-N 3.25Å; A139-N144 PolarHBondContact O-N 2.94Å; A139-G145 WeakPolarHBondContact O-CA 3.36Å; A139-G145 PolarHBondContact O-N 2.86Å; A139-A146 WeakPolarHBondContact CB-O 3.38Å; A139-L147 HydrophobicContact CB-CD2 3.94Å |
| 140 | K | 98.1 | Very high | 98 | Very high | 150 Ų | 150 | 75 Ų | 75 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 176.6 | -74.7 | 175.6 | 179.3 | -179 | 0 | 112.8 | I136 E137 Y138 | I136-K140 HydrophobicContact CG2-CD 4.22Å; I136-K140 WeakPolarHBondContact O-CG 3.34Å; I136-K140 PolarHBondContact O-N 3.45Å; E137-K140 PolarHBondContact O-N 3.47Å; Y138-K140 VanDerWaalsContact C-N 3.31Å; Y138-K140 PolarHBondContact O-N 3.37Å |
| 141 | L | 98 | Very high | 97.9 | Very high | 107 Ų | 107 | 69.9 Ų | 69.9 | 56% | 0.56 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -79.2 | -35.7 | -176 | -68.6 | 173.6 | 0 | 0 | 0 | 113.1 | H56 E137 Y138 | H56-L141 HydrophobicContact CB-CD1 3.9Å; E137-L141 HydrophobicContact CG-CD1 3.94Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 2.95Å; Y138-L141 PolarHBondContact O-N 2.67Å |
| 142 | N | 97.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 43% | 0.428 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -115.5 | -26 | -168.1 | -58.9 | -73.8 | 0 | 0 | 0 | 113.8 | H56 Y138 | H56-N142 PolarHBondContact O-ND2 3.47Å; H56-N142 VanDerWaalsContact O-ND2 3.16Å; Y138-N142 HydrophobicContact CD1-CB 4.15Å; Y138-N142 HydrophobicContact CE1-CB 3.81Å; Y138-N142 WeakPolarHBondContact O-CB 3.26Å; Y138-N142 PolarHBondContact O-N 3.15Å; Y138-N142 PolarHBondContact O-ND2 3.02Å; Y138-N142 VanDerWaalsContact O-ND2 3.14Å |
| 143 | D | 97.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.102 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -125.9 | 24.6 | -168.8 | -63.2 | -33.1 | 0 | 0 | 0 | 113.4 | Y138 A139 G145 A146 L148 T151 | Y138-D143 WeakPolarHBondContact CE1-OD2 3.29Å; A139-D143 CarbonylContact O-C 3.21Å; A139-D143 VanDerWaalsContact O-CA 3.31Å; A139-D143 WeakPolarHBondContact O-CA 3.49Å; A139-D143 PolarHBondContact O-N 3.25Å; D143-G145 PolarHBondContact O-N 3.11Å; D143-G145 VanDerWaalsContact O-N 3.12Å; D143-A146 WeakPolarHBondContact CB-O 3.41Å; D143-A146 WeakPolarHBondContact O-CB 3.39Å; D143-A146 PolarHBondContact O-N 2.97Å; D143-L148 HydrophobicContact CB-CD1 3.88Å; D143-L148 HydrophobicContact CB-CG 4.13Å; D143-T151 WeakPolarHBondContact OD2-CB 3.36Å; D143-T151 PolarHBondContact OD2-OG1 3.38Å |
| 144 | N | 97.4 | Very high | 97.9 | Very high | 168 Ų | 168 | 54.2 Ų | 54.2 | 90% | 0.898 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.2 | -178.3 | -60.4 | -41.6 | 0 | 0 | 0 | 113.9 | A139 A146 | A139-N144 PolarHBondContact O-N 2.94Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-A146 PolarHBondContact O-N 3.35Å |
| 145 | G | 97.2 | Very high | 97.9 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 0.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A139 D143 | A139-G145 WeakPolarHBondContact O-CA 3.36Å; A139-G145 PolarHBondContact O-N 2.86Å; D143-G145 PolarHBondContact O-N 3.11Å; D143-G145 VanDerWaalsContact O-N 3.12Å |
| 146 | A | 97.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | trans | -88.9 | 142.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A139 D143 N144 L148 | A139-A146 WeakPolarHBondContact CB-O 3.38Å; D143-A146 WeakPolarHBondContact CB-O 3.41Å; D143-A146 WeakPolarHBondContact O-CB 3.39Å; D143-A146 PolarHBondContact O-N 2.97Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-A146 PolarHBondContact O-N 3.35Å; A146-L148 HydrophobicContact CB-CD2 3.83Å; A146-L148 HydrophobicContact CB-CG 4.23Å; A146-L148 PolarHBondContact O-N 2.9Å | ||
| 147 | L | 98.3 | Very high | 97.9 | Very high | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | trans | -86.1 | 98.1 | 170.6 | -61.4 | -179 | 0 | 0 | 0 | 109.2 | I135 A139 W238 | I135-L147 HydrophobicContact CG2-CD2 3.68Å; A139-L147 HydrophobicContact CB-CD2 3.94Å; L147-W238 HydrophobicContact CB-CD2 3.73Å; L147-W238 HydrophobicContact CB-CE3 4.16Å; L147-W238 HydrophobicContact CB-CG 4.06Å; L147-W238 HydrophobicContact CB-CH2 4.49Å; L147-W238 HydrophobicContact CB-CZ2 4.09Å; L147-W238 HydrophobicContact CD1-CD2 4.33Å; L147-W238 HydrophobicContact CD1-CE3 3.89Å; L147-W238 HydrophobicContact CD1-CH2 4.07Å; L147-W238 HydrophobicContact CD1-CZ2 4.49Å; L147-W238 HydrophobicContact CD1-CZ3 3.75Å; L147-W238 HydrophobicContact CD2-CH2 4.27Å; L147-W238 HydrophobicContact CD2-CZ2 4.22Å; L147-W238 HydrophobicContact CG-CZ2 4.5Å | ||
| 148 | L | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | trans | -95.7 | 145.4 | -176.4 | -53.6 | 179.7 | 0 | 0 | 0 | 112.2 | D143 A146 N150 T151 G153 W238 | D143-L148 HydrophobicContact CB-CD1 3.88Å; D143-L148 HydrophobicContact CB-CG 4.13Å; A146-L148 HydrophobicContact CB-CD2 3.83Å; A146-L148 HydrophobicContact CB-CG 4.23Å; A146-L148 PolarHBondContact O-N 2.9Å; L148-N150 PolarHBondContact O-N 3.45Å; L148-T151 WeakPolarHBondContact CB-OG1 3.4Å; L148-T151 PolarHBondContact O-N 3.34Å; L148-T151 PolarHBondContact O-OG1 3.47Å; L148-G153 PolarHBondContact O-N 3.1Å; L148-W238 PolarHBondContact O-NE1 2.99Å | ||
| 149 | L | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -41 | -176.6 | -172.9 | 73.1 | 0 | 0 | 0 | 112.1 | T151 G153 G154 V157 N159 I233 K241 | L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.96Å; L149-G153 CarbonylContact O-C 3.38Å; L149-G153 WeakPolarHBondContact O-CA 3.41Å; L149-G154 PolarHBondContact O-N 3.04Å; L149-V157 HydrophobicContact CD1-CG2 3.62Å; L149-V157 HydrophobicContact CG-CG2 4.49Å; L149-N159 VanDerWaalsContact CD2-OD1 3.25Å; L149-N159 WeakPolarHBondContact CD2-OD1 3.39Å; L149-N159 VanDerWaalsContact CG-OD1 3.27Å; L149-N159 WeakPolarHBondContact CG-OD1 3.29Å; L149-N159 PolarHBondContact O-ND2 2.68Å; L149-I233 HydrophobicContact CD1-CD1 3.55Å; L149-K241 WeakPolarHBondContact CD2-O 3.22Å |
| 150 | N | 96.2 | Very high | 97.9 | Very high | 120 Ų | 120 | 45.8 Ų | 45.8 | 64% | 0.642 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -1.3 | -174.7 | 63.5 | -43.1 | 0 | 0 | 0 | 114.1 | L148 | L148-N150 PolarHBondContact O-N 3.45Š|
| 151 | T | 97 | Very high | 97.8 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -97.5 | 175 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | Y138 D143 L148 L149 G153 G154 | Y138-T151 HydrophobicContact CE1-CG2 4.43Å; D143-T151 WeakPolarHBondContact OD2-CB 3.36Å; D143-T151 PolarHBondContact OD2-OG1 3.38Å; L148-T151 WeakPolarHBondContact CB-OG1 3.4Å; L148-T151 PolarHBondContact O-N 3.34Å; L148-T151 PolarHBondContact O-OG1 3.47Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.96Å; T151-G153 PolarHBondContact O-N 2.99Å; T151-G154 PolarHBondContact O-N 2.93Å |
| 152 | T | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.8 | -27.3 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | I135 Y138 G154 I155 W238 | I135-T152 HydrophobicContact CG2-CG2 4.2Å; Y138-T152 HydrophobicContact CD1-CG2 3.37Å; Y138-T152 HydrophobicContact CE1-CG2 3.97Å; Y138-T152 HydrophobicContact CG-CG2 3.93Å; T152-G154 PolarHBondContact O-N 2.89Å; T152-I155 WeakPolarHBondContact O-CB 3.39Å; T152-I155 WeakPolarHBondContact O-CG1 3.39Å; T152-I155 PolarHBondContact O-N 3.4Å; T152-W238 VanDerWaalsContact OG1-CZ2 3.25Å; T152-W238 WeakPolarHBondContact OG1-CZ2 3.32Å; T152-W238 PolarHBondContact OG1-NE1 3.5Å |
| 153 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -63.6 | -27.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | L148 L149 T151 I155 F156 V157 W238 | L148-G153 PolarHBondContact O-N 3.1Å; L149-G153 CarbonylContact O-C 3.38Å; L149-G153 WeakPolarHBondContact O-CA 3.41Å; T151-G153 PolarHBondContact O-N 2.99Å; G153-I155 PolarHBondContact O-N 3.19Å; G153-I155 VanDerWaalsContact O-N 3.13Å; G153-F156 PolarHBondContact O-N 2.94Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 2.75Å; G153-W238 VanDerWaalsContact N-NE1 3.19Å |
| 154 | G | 97.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -63.7 | -13.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L149 T151 T152 F156 | L149-G154 PolarHBondContact O-N 3.04Å; T151-G154 PolarHBondContact O-N 2.93Å; T152-G154 PolarHBondContact O-N 2.89Å; G154-F156 VanDerWaalsContact C-N 3.26Å |
| 155 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -67.2 | -31.7 | 170.6 | -62.3 | 168.4 | 0 | 0 | 0 | 111.1 | S45 L48 A49 I52 L53 I135 T152 G153 | S45-I155 WeakPolarHBondContact CB-O 3.23Å; S45-I155 PolarHBondContact OG-O 2.9Å; L48-I155 HydrophobicContact CB-CG2 4.42Å; L48-I155 WeakPolarHBondContact CD1-O 3.47Å; A49-I155 HydrophobicContact CB-CG2 3.92Å; I52-I155 HydrophobicContact CB-CG1 4.18Å; I52-I155 HydrophobicContact CD1-CG1 3.74Å; I52-I155 HydrophobicContact CG2-CD1 4.45Å; I52-I155 HydrophobicContact CG2-CG1 4.26Å; L53-I155 HydrophobicContact CD1-CD1 3.84Å; L53-I155 HydrophobicContact CD2-CD1 3.96Å; L53-I155 HydrophobicContact CG-CD1 3.87Å; I135-I155 HydrophobicContact CD1-CD1 4.37Å; I135-I155 HydrophobicContact CG1-CD1 4.09Å; T152-I155 WeakPolarHBondContact O-CB 3.39Å; T152-I155 WeakPolarHBondContact O-CG1 3.39Å; T152-I155 PolarHBondContact O-N 3.4Å; G153-I155 PolarHBondContact O-N 3.19Å; G153-I155 VanDerWaalsContact O-N 3.13Å |
| 156 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -41.3 | -167.5 | -58.7 | -67.4 | 0 | 0 | 0 | 112.2 | S124 V127 F128 I135 G153 G154 R225 P229 M232 I233 W238 | S124-F156 WeakPolarHBondContact O-CE1 3.08Å; V127-F156 HydrophobicContact CB-CE1 4.16Å; V127-F156 HydrophobicContact CG1-CE1 4.09Å; F128-F156 HydrophobicContact CB-CE1 4.14Å; F128-F156 HydrophobicContact CB-CZ 3.8Å; F128-F156 HydrophobicContact CD2-CE2 4.46Å; F128-F156 HydrophobicContact CD2-CZ 4.28Å; I135-F156 HydrophobicContact CD1-CE2 3.96Å; I135-F156 HydrophobicContact CD1-CZ 3.88Å; G153-F156 PolarHBondContact O-N 2.94Å; G154-F156 VanDerWaalsContact C-N 3.26Å; F156-R225 PolarHBondContact O-NH1 2.91Å; F156-P229 HydrophobicContact CB-CB 3.91Å; F156-P229 WeakPolarHBondContact O-CB 3.45Å; F156-M232 HydrophobicContact CB-CE 4.26Å; F156-M232 HydrophobicContact CD1-CE 3.51Å; F156-M232 HydrophobicContact CD2-CE 3.96Å; F156-M232 HydrophobicContact CE1-CE 3.74Å; F156-M232 HydrophobicContact CE2-CE 4.17Å; F156-M232 HydrophobicContact CG-CE 3.62Å; F156-M232 HydrophobicContact CZ-CE 4.07Å; F156-I233 HydrophobicContact CB-CG2 3.93Å; F156-I233 HydrophobicContact CD2-CG2 3.72Å; F156-I233 HydrophobicContact CG-CG2 4.01Å; F156-W238 HydrophobicContact CD2-CH2 4.42Å; F156-W238 HydrophobicContact CE2-CH2 4.01Å; F156-W238 HydrophobicContact CE2-CZ2 4.46Å |
| 157 | V | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -125.8 | 159.6 | -173.7 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | L149 G153 P229 R230 I233 | L149-V157 HydrophobicContact CD1-CG2 3.62Å; L149-V157 HydrophobicContact CG-CG2 4.49Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 2.75Å; V157-P229 HydrophobicContact CG1-CB 4.19Å; V157-R230 HydrophobicContact CG1-CB 3.7Å; V157-R230 HydrophobicContact CG1-CG 4.28Å; V157-I233 HydrophobicContact CG1-CD1 3.89Å; V157-I233 HydrophobicContact CG1-CG1 4.44Å; V157-I233 HydrophobicContact CG2-CD1 3.75Å |
| 158 | T | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | trans | -81.5 | 150.5 | 174.2 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | A217 A220 D226 R230 P253 | T158-A217 VanDerWaalsContact CB-O 3.25Å; T158-A217 WeakPolarHBondContact CB-O 3.29Å; T158-A217 WeakPolarHBondContact CG2-O 3.44Å; T158-A220 HydrophobicContact CG2-CB 3.65Å; T158-D226 PolarHBondContact N-OD1 2.85Å; T158-D226 PolarHBondContact OG1-OD1 3.37Å; T158-R230 PolarHBondContact O-NH2 3.49Å; T158-P253 WeakPolarHBondContact OG1-CB 3.25Å | ||
| 159 | N | 97.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | -134.1 | 153.6 | 177.8 | -75.3 | -69.7 | 0 | 0 | 0 | 110.1 | L149 | L149-N159 VanDerWaalsContact CD2-OD1 3.25Å; L149-N159 WeakPolarHBondContact CD2-OD1 3.39Å; L149-N159 VanDerWaalsContact CG-OD1 3.27Å; L149-N159 WeakPolarHBondContact CG-OD1 3.29Å; L149-N159 PolarHBondContact O-ND2 2.68Å | ||
| 160 | P | 98 | Very high | 98.2 | Very high | 34 Ų | 34 | 39 Ų | 39 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | trans | -79.5 | 139.2 | 177.3 | 29.6 | -29.2 | 0 | 0 | 0 | 111.9 | A246 F249 | P160-A246 HydrophobicContact CG-CB 3.5Å; P160-F249 HydrophobicContact CB-CD2 3.65Å; P160-F249 HydrophobicContact CB-CE2 3.63Å; P160-F249 HydrophobicContact CB-CG 4.34Å; P160-F249 HydrophobicContact CB-CZ 4.28Å; P160-F249 HydrophobicContact CG-CB 4.24Å; P160-F249 HydrophobicContact CG-CD2 3.64Å; P160-F249 HydrophobicContact CG-CE2 4.09Å; P160-F249 HydrophobicContact CG-CG 3.88Å | ||
| 161 | S | 97.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 65% | 0.65 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -115.6 | 7.2 | 165.2 | -48.4 | 0 | 0 | 0 | 0 | 112 | L215 N216 | S161-L215 WeakPolarHBondContact CB-O 3.45Å; S161-L215 PolarHBondContact OG-O 3.3Å; S161-N216 PolarHBondContact N-O 3.22Å |
| 162 | A | 98.1 | Very high | 98.4 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -144.5 | -176.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T166 N216 | A162-T166 HydrophobicContact CB-CG2 3.93Å; A162-N216 HydrophobicContact CB-CB 4.2Å |
| 163 | S | 98.4 | Very high | 98.4 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | trans | -60.4 | 150.2 | 173.5 | 83.8 | 0 | 0 | 0 | 0 | 111.1 | L165 T166 C167 | S163-L165 PolarHBondContact O-N 3.25Å; S163-T166 WeakPolarHBondContact O-CB 3.42Å; S163-T166 PolarHBondContact O-N 3.15Å; S163-T166 WeakPolarHBondContact OG-CB 3.42Å; S163-T166 PolarHBondContact OG-N 3.22Å; S163-T166 VanDerWaalsContact OG-N 3.11Å; S163-T166 PolarHBondContact OG-OG1 2.78Å; S163-C167 PolarHBondContact O-N 3.46Å; S163-C167 PolarHBondContact O-SG 2.72Å | ||
| 164 | H | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57 | -36.2 | 177.1 | -78.6 | -163.2 | 0 | 0 | 0 | 112.9 | C167 F168 A246 N247 I252 | H164-C167 PolarHBondContact O-N 2.98Å; H164-F168 VanDerWaalsContact O-CB 3.27Å; H164-F168 WeakPolarHBondContact O-CB 3.31Å; H164-F168 PolarHBondContact O-N 3.25Å; H164-A246 PolarHBondContact CE1-O 3.48Å; H164-A246 VanDerWaalsContact CE1-O 3.26Å; H164-A246 PolarHBondContact NE2-O 3.49Å; H164-N247 PolarHBondContact CE1-O 2.97Å; H164-I252 HydrophobicContact CB-CD1 3.78Å; H164-I252 WeakPolarHBondContact O-CD1 3.22Å |
| 165 | L | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 36.7 Ų | 36.7 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.7 | -47.1 | 174.8 | 178.6 | 61 | 0 | 0 | 0 | 111.1 | S163 F168 L169 | S163-L165 PolarHBondContact O-N 3.25Å; L165-F168 PolarHBondContact O-N 2.86Å; L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.25Å |
| 166 | T | 98.7 | Very high | 98.5 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.5 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | A162 S163 F168 L169 D170 | A162-T166 HydrophobicContact CB-CG2 3.93Å; S163-T166 WeakPolarHBondContact O-CB 3.42Å; S163-T166 PolarHBondContact O-N 3.15Å; S163-T166 WeakPolarHBondContact OG-CB 3.42Å; S163-T166 PolarHBondContact OG-N 3.22Å; S163-T166 VanDerWaalsContact OG-N 3.11Å; S163-T166 PolarHBondContact OG-OG1 2.78Å; T166-F168 VanDerWaalsContact C-N 3.29Å; T166-F168 PolarHBondContact O-N 3.18Å; T166-L169 PolarHBondContact O-N 3.33Å; T166-D170 VanDerWaalsContact O-CB 3.22Å; T166-D170 WeakPolarHBondContact O-CB 3.49Å; T166-D170 PolarHBondContact O-N 2.89Å |
| 167 | C | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -38.4 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | S163 H164 D170 Q171 N216 A217 F249 I252 | S163-C167 PolarHBondContact O-N 3.46Å; S163-C167 PolarHBondContact O-SG 2.72Å; H164-C167 PolarHBondContact O-N 2.98Å; C167-D170 WeakPolarHBondContact O-CB 3.28Å; C167-Q171 WeakPolarHBondContact O-CG 3.35Å; C167-Q171 PolarHBondContact O-N 2.74Å; C167-N216 PolarHBondContact SG-O 3.29Å; C167-A217 HydrophobicContact CB-CB 3.75Å; C167-F249 HydrophobicContact CB-CE2 3.67Å; C167-F249 HydrophobicContact CB-CZ 4.3Å; C167-I252 HydrophobicContact CB-CD1 4.39Å; C167-I252 HydrophobicContact CB-CG2 4.31Å |
| 168 | F | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 20% | 0.202 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -48.7 | 176.8 | 176.6 | -97.6 | 0 | 0 | 0 | 111.8 | H164 L165 T166 D170 Q171 V172 W251 I252 V255 I259 | H164-F168 VanDerWaalsContact O-CB 3.27Å; H164-F168 WeakPolarHBondContact O-CB 3.31Å; H164-F168 PolarHBondContact O-N 3.25Å; L165-F168 PolarHBondContact O-N 2.86Å; T166-F168 VanDerWaalsContact C-N 3.29Å; T166-F168 PolarHBondContact O-N 3.18Å; F168-D170 VanDerWaalsContact C-N 3.29Å; F168-D170 PolarHBondContact O-N 3.17Å; F168-Q171 PolarHBondContact O-N 2.84Å; F168-V172 HydrophobicContact CD1-CG2 4.34Å; F168-V172 HydrophobicContact CE1-CG2 3.95Å; F168-V172 HydrophobicContact CE2-CG2 4.3Å; F168-V172 HydrophobicContact CZ-CG2 3.93Å; F168-V172 WeakPolarHBondContact O-CG2 3.34Å; F168-V172 PolarHBondContact O-N 3.37Å; F168-W251 AromaticContact CD2-CH2 3.96Å; F168-W251 HydrophobicContact CD2-CH2 3.96Å; F168-W251 AromaticContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CE2-CH2 4.46Å; F168-W251 AromaticContact CE2-CZ3 3.93Å; F168-W251 HydrophobicContact CE2-CZ3 3.93Å; F168-I252 HydrophobicContact CB-CG2 4.35Å; F168-V255 HydrophobicContact CE2-CG1 4.3Å; F168-I259 HydrophobicContact CE2-CD1 4.11Å; F168-I259 HydrophobicContact CZ-CD1 3.68Å |
| 169 | L | 98.7 | Very high | 98.5 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 53% | 0.534 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.2 | -68.1 | 175.1 | 0 | 0 | 0 | 112 | L165 T166 V172 M173 | L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.32Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.25Å; T166-L169 PolarHBondContact O-N 3.33Å; L169-V172 PolarHBondContact O-N 3.03Å; L169-M173 WeakPolarHBondContact O-CB 3.34Å; L169-M173 PolarHBondContact O-N 3.27Å |
| 170 | D | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 174.3 | 179.2 | -81.7 | 0 | 0 | 0 | 111.8 | T166 C167 F168 V172 M173 G174 F213 N216 | T166-D170 VanDerWaalsContact O-CB 3.22Å; T166-D170 WeakPolarHBondContact O-CB 3.49Å; T166-D170 PolarHBondContact O-N 2.89Å; C167-D170 WeakPolarHBondContact O-CB 3.28Å; F168-D170 VanDerWaalsContact C-N 3.29Å; F168-D170 PolarHBondContact O-N 3.17Å; D170-V172 PolarHBondContact O-N 3.48Å; D170-M173 PolarHBondContact O-N 3.25Å; D170-G174 PolarHBondContact O-N 2.95Å; D170-F213 VanDerWaalsContact OD2-O 3.09Å; D170-N216 HydrophobicContact CB-CB 4.27Å; D170-N216 PolarHBondContact OD2-ND2 3.49Å |
| 171 | Q | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 177.6 | -69.7 | -50.5 | -70.7 | 0 | 0 | 113.3 | C167 F168 T175 A217 A220 I252 | C167-Q171 WeakPolarHBondContact O-CG 3.35Å; C167-Q171 PolarHBondContact O-N 2.74Å; F168-Q171 PolarHBondContact O-N 2.84Å; Q171-T175 VanDerWaalsContact O-CB 3.29Å; Q171-T175 WeakPolarHBondContact O-CB 3.1Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 VanDerWaalsContact O-N 3.15Å; Q171-T175 PolarHBondContact O-OG1 3.23Å; Q171-A217 HydrophobicContact CG-CB 4.12Å; Q171-A220 VanDerWaalsContact OE1-CB 3.28Å; Q171-I252 HydrophobicContact CB-CG2 4.49Å; Q171-I252 HydrophobicContact CG-CG2 4.01Å |
| 172 | V | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 13% | 0.127 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -51 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | F168 L169 D170 T175 A176 I259 G260 I263 | F168-V172 HydrophobicContact CD1-CG2 4.34Å; F168-V172 HydrophobicContact CE1-CG2 3.95Å; F168-V172 HydrophobicContact CE2-CG2 4.3Å; F168-V172 HydrophobicContact CZ-CG2 3.93Å; F168-V172 WeakPolarHBondContact O-CG2 3.34Å; F168-V172 PolarHBondContact O-N 3.37Å; L169-V172 PolarHBondContact O-N 3.03Å; D170-V172 PolarHBondContact O-N 3.48Å; V172-T175 PolarHBondContact O-N 3.44Å; V172-A176 WeakPolarHBondContact O-CB 3.37Å; V172-A176 PolarHBondContact O-N 3.03Å; V172-I259 HydrophobicContact CG1-CG2 4.23Å; V172-I259 HydrophobicContact CG2-CB 4.24Å; V172-I259 HydrophobicContact CG2-CG2 4.12Å; V172-G260 WeakPolarHBondContact O-CA 3.36Å; V172-I263 HydrophobicContact CG1-CD1 4.15Å |
| 173 | M | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 34.4 Ų | 34.4 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.4 | -49.7 | -177.6 | -173.3 | 67.8 | -122.4 | 0 | 0 | 112 | L169 D170 T175 A176 L177 | L169-M173 WeakPolarHBondContact O-CB 3.34Å; L169-M173 PolarHBondContact O-N 3.27Å; D170-M173 PolarHBondContact O-N 3.25Å; M173-T175 VanDerWaalsContact C-N 3.29Å; M173-T175 PolarHBondContact O-N 3.02Å; M173-A176 PolarHBondContact O-N 3.2Å; M173-L177 HydrophobicContact CE-CD1 3.9Å; M173-L177 HydrophobicContact CE-CD2 3.65Å; M173-L177 HydrophobicContact CE-CG 3.49Å; M173-L177 VanDerWaalsContact CE-CG 3.49Å; M173-L177 WeakPolarHBondContact O-CG 3.22Å; M173-L177 PolarHBondContact O-N 3.27Å |
| 174 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D170 L177 L178 L221 | D170-G174 PolarHBondContact O-N 2.95Å; G174-L177 PolarHBondContact O-N 3.43Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 3.26Å; G174-L221 VanDerWaalsContact C-CD2 3.42Å |
| 175 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -77.5 | -29 | -179.7 | -43.9 | 0 | 0 | 0 | 0 | 112.7 | A93 Q171 V172 M173 L178 T179 L221 P257 A261 | A93-T175 HydrophobicContact CB-CG2 4.4Å; Q171-T175 VanDerWaalsContact O-CB 3.29Å; Q171-T175 WeakPolarHBondContact O-CB 3.1Å; Q171-T175 PolarHBondContact O-N 3.33Å; Q171-T175 VanDerWaalsContact O-N 3.15Å; Q171-T175 PolarHBondContact O-OG1 3.23Å; V172-T175 PolarHBondContact O-N 3.44Å; M173-T175 VanDerWaalsContact C-N 3.29Å; M173-T175 PolarHBondContact O-N 3.02Å; T175-L178 PolarHBondContact O-N 3.49Å; T175-T179 PolarHBondContact O-N 2.92Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; T175-L221 WeakPolarHBondContact CG2-O 3.41Å; T175-L221 WeakPolarHBondContact OG1-CA 3.34Å; T175-P257 HydrophobicContact CG2-CB 3.95Å; T175-P257 VanDerWaalsContact CG2-O 3.26Å; T175-P257 WeakPolarHBondContact CG2-O 3.42Å; T175-P257 WeakPolarHBondContact OG1-CA 3.29Å; T175-A261 HydrophobicContact CG2-CB 3.89Å |
| 176 | A | 98.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V172 M173 L178 T179 A180 G260 I263 G264 | V172-A176 WeakPolarHBondContact O-CB 3.37Å; V172-A176 PolarHBondContact O-N 3.03Å; M173-A176 PolarHBondContact O-N 3.2Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.93Å; A176-T179 PolarHBondContact O-N 3.11Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.23Å; A176-A180 PolarHBondContact O-N 3.12Å; A176-G260 WeakPolarHBondContact CA-O 3.33Å; A176-G260 VanDerWaalsContact CB-O 3.3Å; A176-G260 WeakPolarHBondContact CB-O 3.4Å; A176-G260 PolarHBondContact N-O 3.46Å; A176-I263 HydrophobicContact CB-CG2 4.47Å; A176-G264 WeakPolarHBondContact O-CA 3.4Å |
| 177 | L | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 33% | 0.33 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.8 | -67.3 | 173.5 | 0 | 0 | 0 | 111.9 | M173 G174 T179 G181 I209 F213 | M173-L177 HydrophobicContact CE-CD1 3.9Å; M173-L177 HydrophobicContact CE-CD2 3.65Å; M173-L177 HydrophobicContact CE-CG 3.49Å; M173-L177 VanDerWaalsContact CE-CG 3.49Å; M173-L177 WeakPolarHBondContact O-CG 3.22Å; M173-L177 PolarHBondContact O-N 3.27Å; G174-L177 PolarHBondContact O-N 3.43Å; L177-T179 PolarHBondContact O-N 3.08Å; L177-G181 WeakPolarHBondContact O-CA 3.41Å; L177-G181 PolarHBondContact O-N 2.95Å; L177-I209 HydrophobicContact CB-CD1 4.08Å; L177-I209 HydrophobicContact CB-CG1 4.35Å; L177-F213 HydrophobicContact CD1-CD2 4.33Å; L177-F213 HydrophobicContact CD1-CE2 3.51Å; L177-F213 HydrophobicContact CD1-CZ 3.9Å |
| 178 | L | 98.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 177 | 177.1 | 61.6 | 0 | 0 | 0 | 111.3 | V94 G174 T175 A176 A182 L205 V206 I209 L221 | V94-L178 HydrophobicContact CG2-CD2 4.36Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 3.26Å; T175-L178 PolarHBondContact O-N 3.49Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.93Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.35Å; L178-L205 HydrophobicContact CD1-CD2 4.04Å; L178-L205 HydrophobicContact CD1-CG 4.34Å; L178-L205 WeakPolarHBondContact O-CD2 3.5Å; L178-V206 HydrophobicContact CD1-CG2 3.73Å; L178-I209 HydrophobicContact CB-CD1 3.79Å; L178-I209 HydrophobicContact CD1-CD1 4.3Å; L178-L221 HydrophobicContact CD2-CB 3.93Å |
| 179 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.6 | -41.7 | -174.8 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | A97 T175 A176 L177 G181 A182 F183 A261 | A97-T179 HydrophobicContact CB-CG2 3.64Å; T175-T179 PolarHBondContact O-N 2.92Å; T175-T179 PolarHBondContact O-OG1 3.49Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; A176-T179 PolarHBondContact O-N 3.11Å; L177-T179 PolarHBondContact O-N 3.08Å; T179-G181 PolarHBondContact O-N 3.2Å; T179-A182 PolarHBondContact O-N 3.21Å; T179-F183 HydrophobicContact CG2-CD1 4.44Å; T179-F183 HydrophobicContact CG2-CD2 4.38Å; T179-F183 HydrophobicContact CG2-CE1 4.01Å; T179-F183 HydrophobicContact CG2-CE2 3.95Å; T179-F183 HydrophobicContact CG2-CZ 3.74Å; T179-F183 WeakPolarHBondContact O-CG 3.38Å; T179-F183 PolarHBondContact O-N 3.45Å; T179-A261 HydrophobicContact CG2-CB 4.5Å; T179-A261 WeakPolarHBondContact CG2-O 3.32Å; T179-A261 VanDerWaalsContact OG1-CA 3.25Å; T179-A261 WeakPolarHBondContact OG1-CA 3.49Å; T179-A261 VanDerWaalsContact OG1-CB 3.28Å; T179-A261 WeakPolarHBondContact OG1-CB 3.41Å |
| 180 | A | 98.7 | Very high | 97.4 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A176 F183 A184 G264 | A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.23Å; A176-A180 PolarHBondContact O-N 3.12Å; A180-F183 PolarHBondContact O-N 2.92Å; A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.99Å; A180-G264 WeakPolarHBondContact CB-O 3.43Å |
| 181 | G | 98.6 | Very high | 97 | Very high | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L177 T179 F183 A184 I185 | L177-G181 WeakPolarHBondContact O-CA 3.41Å; L177-G181 PolarHBondContact O-N 2.95Å; T179-G181 PolarHBondContact O-N 3.2Å; G181-F183 VanDerWaalsContact C-N 3.32Å; G181-F183 PolarHBondContact O-N 2.97Å; G181-A184 PolarHBondContact O-N 3.48Å; G181-I185 WeakPolarHBondContact O-CB 3.37Å; G181-I185 WeakPolarHBondContact O-CD1 3.32Å; G181-I185 VanDerWaalsContact O-CG1 3.23Å; G181-I185 WeakPolarHBondContact O-CG1 3.36Å; G181-I185 PolarHBondContact O-N 3.48Å |
| 182 | A | 98.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L178 T179 I185 T186 L202 L205 | L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.35Å; T179-A182 PolarHBondContact O-N 3.21Å; A182-I185 PolarHBondContact O-N 2.87Å; A182-T186 WeakPolarHBondContact O-CB 3.17Å; A182-T186 WeakPolarHBondContact O-CG2 3.36Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.25Å; A182-L202 HydrophobicContact CB-CD2 3.68Å; A182-L205 HydrophobicContact CB-CD2 4.4Å |
| 183 | F | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 176 | -70.8 | -0.4 | 0 | 0 | 0 | 111.7 | A97 A98 V101 K103 T179 A180 G181 I185 T186 D187 G265 Y268 | A97-F183 HydrophobicContact CB-CZ 4.33Å; A98-F183 HydrophobicContact CB-CE1 4.37Å; A98-F183 HydrophobicContact CB-CZ 4.21Å; V101-F183 HydrophobicContact CB-CE2 4.48Å; V101-F183 HydrophobicContact CG1-CE2 4.23Å; V101-F183 HydrophobicContact CG2-CD2 4.35Å; V101-F183 HydrophobicContact CG2-CE2 3.48Å; V101-F183 VanDerWaalsContact CG2-CE2 3.48Å; V101-F183 HydrophobicContact CG2-CZ 3.86Å; K103-F183 HydrophobicContact CD-CE1 4.44Å; K103-F183 HydrophobicContact CD-CZ 4.46Å; T179-F183 HydrophobicContact CG2-CD1 4.44Å; T179-F183 HydrophobicContact CG2-CD2 4.38Å; T179-F183 HydrophobicContact CG2-CE1 4.01Å; T179-F183 HydrophobicContact CG2-CE2 3.95Å; T179-F183 HydrophobicContact CG2-CZ 3.74Å; T179-F183 WeakPolarHBondContact O-CG 3.38Å; T179-F183 PolarHBondContact O-N 3.45Å; A180-F183 PolarHBondContact O-N 2.92Å; G181-F183 VanDerWaalsContact C-N 3.32Å; G181-F183 PolarHBondContact O-N 2.97Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.2Å; F183-T186 PolarHBondContact O-N 3.46Å; F183-D187 WeakPolarHBondContact O-CB 3.44Å; F183-D187 PolarHBondContact O-N 3.36Å; F183-G265 VanDerWaalsContact CE2-CA 3.46Å; F183-Y268 HydrophobicContact CB-CD1 3.45Å; F183-Y268 VanDerWaalsContact CB-CD1 3.45Å; F183-Y268 HydrophobicContact CB-CD2 4.44Å; F183-Y268 HydrophobicContact CB-CE1 3.78Å; F183-Y268 HydrophobicContact CB-CG 3.81Å; F183-Y268 HydrophobicContact CD2-CD1 4.1Å; F183-Y268 HydrophobicContact CG-CD1 4.3Å |
| 184 | A | 97.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | A180 G181 Y268 | A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 2.99Å; G181-A184 PolarHBondContact O-N 3.48Å; A184-Y268 HydrophobicContact CB-CD2 3.96Å; A184-Y268 HydrophobicContact CB-CE2 3.49Å; A184-Y268 VanDerWaalsContact CB-CE2 3.49Å |
| 185 | I | 97.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 177.7 | -71.8 | 161.5 | 0 | 0 | 0 | 111.5 | G181 A182 F183 I193 H201 L202 L205 | G181-I185 WeakPolarHBondContact O-CB 3.37Å; G181-I185 WeakPolarHBondContact O-CD1 3.32Å; G181-I185 VanDerWaalsContact O-CG1 3.23Å; G181-I185 WeakPolarHBondContact O-CG1 3.36Å; G181-I185 PolarHBondContact O-N 3.48Å; A182-I185 PolarHBondContact O-N 2.87Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.2Å; I185-I193 HydrophobicContact CG2-CD1 4.36Å; I185-H201 HydrophobicContact CD1-CB 3.93Å; I185-H201 HydrophobicContact CG1-CB 4.04Å; I185-H201 HydrophobicContact CG2-CB 3.63Å; I185-L202 HydrophobicContact CD1-CD2 4.13Å; I185-L202 HydrophobicContact CG2-CG 4.42Å; I185-L205 HydrophobicContact CD1-CB 4.12Å; I185-L205 HydrophobicContact CD1-CD2 4.05Å |
| 186 | T | 94.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -99.7 | 1.9 | -170.8 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | A182 F183 P188 H198 | A182-T186 WeakPolarHBondContact O-CB 3.17Å; A182-T186 WeakPolarHBondContact O-CG2 3.36Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.25Å; F183-T186 PolarHBondContact O-N 3.46Å; T186-P188 VanDerWaalsContact O-CD 3.29Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å; T186-H198 HydrophobicContact CG2-CB 4.42Å |
| 187 | D | 94.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -74.9 | 114.8 | 176.1 | -162.4 | -44.1 | 0 | 0 | 0 | 110.6 | F183 N189 G190 Y268 L276 | F183-D187 WeakPolarHBondContact O-CB 3.44Å; F183-D187 PolarHBondContact O-N 3.36Å; D187-N189 PolarHBondContact O-N 3.23Å; D187-N189 VanDerWaalsContact O-N 3.14Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.97Å; D187-N189 PolarHBondContact OD1-ND2 3.45Å; D187-G190 PolarHBondContact O-N 2.89Å; D187-G190 VanDerWaalsContact O-N 3.09Å; D187-Y268 HydrophobicContact CB-CE1 4.46Å; D187-Y268 WeakPolarHBondContact CB-OH 3.35Å; D187-Y268 PolarHBondContact OD2-OH 3.29Å; D187-Y268 VanDerWaalsContact OD2-OH 3.13Å; D187-L276 HydrophobicContact CB-CD1 4.44Å | ||
| 188 | P | 92.5 | Very high | 95.3 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15 | -178.1 | 29 | -36.1 | 0 | 0 | 0 | 113.3 | T186 K192 | T186-P188 VanDerWaalsContact O-CD 3.29Å; T186-P188 WeakPolarHBondContact O-CD 3.27Å; P188-K192 WeakPolarHBondContact O-CG 3.46Å |
| 189 | N | 93.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.8 | 178.4 | -47.3 | -73.8 | 0 | 0 | 0 | 112.5 | D187 L276 | D187-N189 PolarHBondContact O-N 3.23Å; D187-N189 VanDerWaalsContact O-N 3.14Å; D187-N189 WeakPolarHBondContact OD1-CB 3.31Å; D187-N189 PolarHBondContact OD1-N 2.97Å; D187-N189 PolarHBondContact OD1-ND2 3.45Å; N189-L276 HydrophobicContact CB-CB 3.86Å; N189-L276 HydrophobicContact CB-CD1 4.16Å |
| 190 | G | 93.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 61 Ų | 61 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -123.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D187 K192 | D187-G190 PolarHBondContact O-N 2.89Å; D187-G190 VanDerWaalsContact O-N 3.09Å; G190-K192 PolarHBondContact O-N 2.86Å |
| 191 | W | 91.3 | Very high | 95.2 | Very high | 227 Ų | 227 | 62.7 Ų | 62.7 | 86% | 0.86 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -7.3 | -178.5 | -69.5 | 104.4 | 0 | 0 | 0 | 114.9 | I193 | W191-I193 HydrophobicContact CB-CD1 4.26Å; W191-I193 HydrophobicContact CB-CG1 3.83Å; W191-I193 PolarHBondContact O-N 3.34Å |
| 192 | K | 91.4 | Very high | 95.2 | Very high | 162 Ų | 162 | 63 Ų | 63 | 70% | 0.704 | 32% | 0.318 | S | S | * | . | trans | 51.6 | 41.9 | -176.7 | -63.4 | 172.6 | -177.1 | 174.8 | 0 | 111.9 | P188 G190 P194 | P188-K192 WeakPolarHBondContact O-CG 3.46Å; G190-K192 PolarHBondContact O-N 2.86Å; K192-P194 WeakPolarHBondContact O-CD 3.39Å | ||
| 193 | I | 94.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | trans | -59.5 | 127.2 | 175.7 | -62.2 | 174.6 | 0 | 0 | 0 | 107.1 | I185 W191 D195 L197 H198 | I185-I193 HydrophobicContact CG2-CD1 4.36Å; W191-I193 HydrophobicContact CB-CD1 4.26Å; W191-I193 HydrophobicContact CB-CG1 3.83Å; W191-I193 PolarHBondContact O-N 3.34Å; I193-D195 PolarHBondContact O-N 3.39Å; I193-L197 HydrophobicContact CG2-CB 3.73Å; I193-H198 PolarHBondContact O-NE2 3.13Å | ||
| 194 | P | 94.5 | Very high | 95.3 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -57 | 137.4 | 174.9 | -25.2 | 32.8 | 0 | 0 | 0 | 111.3 | K192 Y196 L197 | K192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-Y196 HydrophobicContact CB-CD1 3.78Å; P194-Y196 HydrophobicContact CB-CE1 3.3Å; P194-Y196 HydrophobicContact CB-CE2 4.26Å; P194-Y196 HydrophobicContact CB-CG 4.43Å; P194-Y196 HydrophobicContact CG-CE1 4.21Å; P194-Y196 PolarHBondContact O-N 3.24Å; P194-L197 HydrophobicContact CG-CD1 4.42Å; P194-L197 WeakPolarHBondContact O-CA 3.38Å; P194-L197 WeakPolarHBondContact O-CB 3.24Å; P194-L197 PolarHBondContact O-N 3.41Å | ||
| 195 | D | 91.4 | Very high | 95.3 | Very high | 128 Ų | 128 | 68 Ų | 68 | 68% | 0.684 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -52.5 | -35.3 | -173.4 | -68.8 | -22 | 0 | 0 | 0 | 113.9 | I193 L197 H198 | I193-D195 PolarHBondContact O-N 3.39Å; D195-L197 PolarHBondContact O-N 2.98Å; D195-H198 WeakPolarHBondContact O-CB 3.31Å; D195-H198 PolarHBondContact O-N 2.85Å; D195-H198 VanDerWaalsContact O-N 3.15Å; D195-H198 IonicContact OD1-CE1 3.89Å; D195-H198 PolarHBondContact OD1-CE1 3.37Å; D195-H198 IonicContact OD1-ND1 2.88Å; D195-H198 IonicContact OD1-NE2 2.68Å |
| 196 | Y | 92.6 | Very high | 95.4 | Very high | 173 Ų | 173 | 67.4 Ų | 67.4 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -67.9 | -12.2 | 178.4 | 64 | -99.3 | 0 | 0 | 0 | 113.9 | P194 | P194-Y196 HydrophobicContact CB-CD1 3.78Å; P194-Y196 HydrophobicContact CB-CE1 3.3Å; P194-Y196 HydrophobicContact CB-CE2 4.26Å; P194-Y196 HydrophobicContact CB-CG 4.43Å; P194-Y196 HydrophobicContact CG-CE1 4.21Å; P194-Y196 PolarHBondContact O-N 3.24Å |
| 197 | L | 96.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -99.8 | -8.3 | 173.9 | -64.4 | -177 | 0 | 0 | 0 | 113.6 | I193 P194 D195 P199 L200 H201 | I193-L197 HydrophobicContact CG2-CB 3.73Å; P194-L197 HydrophobicContact CG-CD1 4.42Å; P194-L197 WeakPolarHBondContact O-CA 3.38Å; P194-L197 WeakPolarHBondContact O-CB 3.24Å; P194-L197 PolarHBondContact O-N 3.41Å; D195-L197 PolarHBondContact O-N 2.98Å; L197-P199 VanDerWaalsContact C-CD 3.46Å; L197-L200 PolarHBondContact O-N 2.88Å; L197-H201 PolarHBondContact O-N 3.33Å; L197-H201 PolarHBondContact O-ND1 3.18Å |
| 198 | H | 95.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.5 | -45.2 | 174.6 | -65.4 | 163.1 | 0 | 0 | 0 | 112.9 | T186 I193 D195 L200 H201 L202 | T186-H198 HydrophobicContact CG2-CB 4.42Å; I193-H198 PolarHBondContact O-NE2 3.13Å; D195-H198 WeakPolarHBondContact O-CB 3.31Å; D195-H198 PolarHBondContact O-N 2.85Å; D195-H198 VanDerWaalsContact O-N 3.15Å; D195-H198 IonicContact OD1-CE1 3.89Å; D195-H198 PolarHBondContact OD1-CE1 3.37Å; D195-H198 IonicContact OD1-ND1 2.88Å; D195-H198 IonicContact OD1-NE2 2.68Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 2.89Å; H198-H201 PolarHBondContact O-N 3.25Å; H198-L202 WeakPolarHBondContact O-CB 3.45Å; H198-L202 VanDerWaalsContact O-CG 3.31Å; H198-L202 WeakPolarHBondContact O-CG 3.35Å; H198-L202 PolarHBondContact O-N 2.91Å |
| 199 | P | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -39.8 | 179.1 | -24.6 | 34.5 | 0 | 0 | 0 | 112.8 | Y76 V79 M80 L197 A203 | Y76-P199 HydrophobicContact CD2-CB 3.77Å; Y76-P199 HydrophobicContact CE2-CB 3.88Å; V79-P199 HydrophobicContact CB-CB 4.1Å; V79-P199 HydrophobicContact CB-CG 4.31Å; V79-P199 HydrophobicContact CG1-CB 4.09Å; V79-P199 HydrophobicContact CG1-CG 3.8Å; M80-P199 HydrophobicContact CG-CB 4.07Å; M80-P199 HydrophobicContact CG-CG 4.3Å; M80-P199 HydrophobicContact SD-CB 3.97Å; M80-P199 HydrophobicContact SD-CG 3.67Å; L197-P199 VanDerWaalsContact C-CD 3.46Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.26Å |
| 200 | L | 98 | Very high | 96.3 | Very high | 60 Ų | 60 | 64.5 Ų | 64.5 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | -179.2 | -178.7 | 63.3 | 0 | 0 | 0 | 111.9 | Y76 L197 H198 A203 F204 | Y76-L200 HydrophobicContact CD2-CB 4.35Å; Y76-L200 HydrophobicContact CE2-CB 4.09Å; Y76-L200 HydrophobicContact CE2-CD1 4.5Å; L197-L200 PolarHBondContact O-N 2.88Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 2.89Å; L200-A203 VanDerWaalsContact O-CB 3.28Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 3.28Å; L200-F204 HydrophobicContact CD1-CE2 4Å; L200-F204 HydrophobicContact CD1-CZ 4.05Å; L200-F204 HydrophobicContact CD2-CE2 4.29Å; L200-F204 HydrophobicContact CG-CD2 4.33Å; L200-F204 HydrophobicContact CG-CE2 3.83Å; L200-F204 HydrophobicContact CG-CZ 4.38Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.34Å |
| 201 | H | 98.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 65 Ų | 65 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71 | -36.9 | 179.7 | -68.3 | 83.5 | 0 | 0 | 0 | 111.7 | I185 L197 H198 A203 F204 L205 | I185-H201 HydrophobicContact CD1-CB 3.93Å; I185-H201 HydrophobicContact CG1-CB 4.04Å; I185-H201 HydrophobicContact CG2-CB 3.63Å; L197-H201 PolarHBondContact O-N 3.33Å; L197-H201 PolarHBondContact O-ND1 3.18Å; H198-H201 PolarHBondContact O-N 3.25Å; H201-A203 VanDerWaalsContact C-N 3.26Å; H201-A203 PolarHBondContact O-N 2.98Å; H201-F204 PolarHBondContact O-N 2.93Å; H201-L205 PolarHBondContact O-N 3.25Å |
| 202 | L | 98.5 | Very high | 96.8 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 171.7 | -68.8 | 170.3 | 0 | 0 | 0 | 111.7 | V75 V79 A182 I185 H198 L205 V206 | V75-L202 HydrophobicContact CG1-CB 4.07Å; V79-L202 HydrophobicContact CG1-CD1 4.29Å; V79-L202 HydrophobicContact CG2-CD1 3.98Å; A182-L202 HydrophobicContact CB-CD2 3.68Å; I185-L202 HydrophobicContact CD1-CD2 4.13Å; I185-L202 HydrophobicContact CG2-CG 4.42Å; H198-L202 WeakPolarHBondContact O-CB 3.45Å; H198-L202 VanDerWaalsContact O-CG 3.31Å; H198-L202 WeakPolarHBondContact O-CG 3.35Å; H198-L202 PolarHBondContact O-N 2.91Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 2.88Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.38Å |
| 203 | A | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 Y76 P199 L200 H201 L205 V206 Y207 | G72-A203 WeakPolarHBondContact CA-O 3.48Å; G72-A203 WeakPolarHBondContact O-CA 3.36Å; G72-A203 WeakPolarHBondContact O-CB 3.29Å; Y76-A203 HydrophobicContact CD2-CB 4.41Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.26Å; L200-A203 VanDerWaalsContact O-CB 3.28Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 3.28Å; H201-A203 VanDerWaalsContact C-N 3.26Å; H201-A203 PolarHBondContact O-N 2.98Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.75Å; A203-V206 PolarHBondContact O-N 3.04Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.27Å; A203-Y207 PolarHBondContact O-N 3.49Å |
| 204 | F | 98.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 175 | -70.9 | -42.8 | 0 | 0 | 0 | 112.7 | L200 H201 Y207 A208 | L200-F204 HydrophobicContact CD1-CE2 4Å; L200-F204 HydrophobicContact CD1-CZ 4.05Å; L200-F204 HydrophobicContact CD2-CE2 4.29Å; L200-F204 HydrophobicContact CG-CD2 4.33Å; L200-F204 HydrophobicContact CG-CE2 3.83Å; L200-F204 HydrophobicContact CG-CZ 4.38Å; L200-F204 WeakPolarHBondContact O-CD2 3.44Å; L200-F204 PolarHBondContact O-N 3.34Å; H201-F204 PolarHBondContact O-N 2.93Å; F204-Y207 PolarHBondContact O-N 3.47Å; F204-A208 WeakPolarHBondContact O-CB 3.34Å; F204-A208 PolarHBondContact O-N 2.89Å |
| 205 | L | 98.8 | Very high | 97.3 | Very high | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -50.1 | 174.6 | 176.5 | 61.5 | 0 | 0 | 0 | 111.5 | L178 A182 I185 H201 L202 A203 A208 I209 | L178-L205 HydrophobicContact CD1-CD2 4.04Å; L178-L205 HydrophobicContact CD1-CG 4.34Å; L178-L205 WeakPolarHBondContact O-CD2 3.5Å; A182-L205 HydrophobicContact CB-CD2 4.4Å; I185-L205 HydrophobicContact CD1-CB 4.12Å; I185-L205 HydrophobicContact CD1-CD2 4.05Å; H201-L205 PolarHBondContact O-N 3.25Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 2.88Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.75Å; L205-A208 PolarHBondContact O-N 2.95Å; L205-I209 HydrophobicContact CD1-CD1 3.76Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.25Å; L205-I209 PolarHBondContact O-N 2.87Å |
| 206 | V | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | 180 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | W71 V75 L178 L202 A203 A208 I209 V210 | W71-V206 HydrophobicContact CB-CG1 4.2Å; V75-V206 HydrophobicContact CB-CB 4.42Å; V75-V206 HydrophobicContact CB-CG2 4.16Å; V75-V206 HydrophobicContact CG1-CG2 4.16Å; V75-V206 HydrophobicContact CG2-CB 4.05Å; V75-V206 HydrophobicContact CG2-CG1 3.91Å; V75-V206 HydrophobicContact CG2-CG2 3.67Å; L178-V206 HydrophobicContact CD1-CG2 3.73Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.38Å; A203-V206 PolarHBondContact O-N 3.04Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.41Å; V206-I209 PolarHBondContact O-N 2.94Å; V206-V210 HydrophobicContact CG1-CG2 4.04Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.26Å |
| 207 | Y | 98.7 | Very high | 97.8 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.6 | -48.3 | 172.1 | 167 | -121.6 | 0 | 0 | 0 | 111.4 | S68 L69 A203 F204 G211 | S68-Y207 VanDerWaalsContact C-CD2 3.49Å; L69-Y207 HydrophobicContact CD2-CD1 4.49Å; L69-Y207 HydrophobicContact CD2-CD2 3.78Å; L69-Y207 HydrophobicContact CD2-CE1 4.36Å; L69-Y207 HydrophobicContact CD2-CE2 3.62Å; L69-Y207 HydrophobicContact CD2-CG 4.21Å; L69-Y207 HydrophobicContact CG-CD2 4.01Å; L69-Y207 HydrophobicContact CG-CE2 3.67Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.27Å; A203-Y207 PolarHBondContact O-N 3.49Å; F204-Y207 PolarHBondContact O-N 3.47Å; Y207-G211 PolarHBondContact O-N 3.43Å |
| 208 | A | 98.7 | Very high | 97.8 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | F204 L205 V206 G211 C212 | F204-A208 WeakPolarHBondContact O-CB 3.34Å; F204-A208 PolarHBondContact O-N 2.89Å; L205-A208 PolarHBondContact O-N 2.95Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.41Å; A208-G211 PolarHBondContact O-N 3.25Å; A208-C212 WeakPolarHBondContact O-CB 3.49Å; A208-C212 PolarHBondContact O-N 2.97Å; A208-C212 PolarHBondContact O-SG 2.82Å |
| 209 | I | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | -179 | -65.1 | 166.3 | 0 | 0 | 0 | 111.1 | L177 L178 L205 V206 G211 C212 F213 L221 | L177-I209 HydrophobicContact CB-CD1 4.08Å; L177-I209 HydrophobicContact CB-CG1 4.35Å; L178-I209 HydrophobicContact CB-CD1 3.79Å; L178-I209 HydrophobicContact CD1-CD1 4.3Å; L205-I209 HydrophobicContact CD1-CD1 3.76Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.25Å; L205-I209 PolarHBondContact O-N 2.87Å; V206-I209 PolarHBondContact O-N 2.94Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 2.99Å; I209-C212 PolarHBondContact O-N 2.97Å; I209-F213 HydrophobicContact CG2-CD2 4.13Å; I209-F213 PolarHBondContact O-N 3.19Å; I209-L221 HydrophobicContact CB-CD1 4.36Å; I209-L221 HydrophobicContact CG2-CD1 3.59Å; I209-L221 HydrophobicContact CG2-CD2 3.95Å; I209-L221 HydrophobicContact CG2-CG 4.42Å |
| 210 | V | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | F64 W71 V206 C212 A214 A219 | F64-V210 VanDerWaalsContact CZ-O 3.25Å; F64-V210 WeakPolarHBondContact CZ-O 3.31Å; W71-V210 HydrophobicContact CB-CG2 3.95Å; W71-V210 HydrophobicContact CG-CG2 4.35Å; V206-V210 HydrophobicContact CG1-CG2 4.04Å; V206-V210 WeakPolarHBondContact O-CB 3.47Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 3.26Å; V210-C212 PolarHBondContact O-N 2.99Å; V210-A214 HydrophobicContact CG1-CB 3.98Å; V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.41Å; V210-A219 HydrophobicContact CG2-CB 4.14Å |
| 211 | G | 97.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.7 | -29 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S68 Y207 A208 I209 | S68-G211 WeakPolarHBondContact OG-CA 3.36Å; S68-G211 PolarHBondContact OG-N 3.06Å; Y207-G211 PolarHBondContact O-N 3.43Å; A208-G211 PolarHBondContact O-N 3.25Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 2.99Å |
| 212 | C | 97.7 | Very high | 97.9 | Very high | 93 Ų | 93 | 37.4 Ų | 37.4 | 63% | 0.628 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -99.8 | -33.2 | -176.8 | -67.1 | 0 | 0 | 0 | 0 | 114.6 | A208 I209 V210 | A208-C212 WeakPolarHBondContact O-CB 3.49Å; A208-C212 PolarHBondContact O-N 2.97Å; A208-C212 PolarHBondContact O-SG 2.82Å; I209-C212 PolarHBondContact O-N 2.97Å; V210-C212 PolarHBondContact O-N 2.99Å |
| 213 | F | 96.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -126.5 | 4 | -164.7 | -58.8 | -74.4 | 0 | 0 | 0 | 114.9 | D170 L177 I209 L215 | D170-F213 VanDerWaalsContact OD2-O 3.09Å; L177-F213 HydrophobicContact CD1-CD2 4.33Å; L177-F213 HydrophobicContact CD1-CE2 3.51Å; L177-F213 HydrophobicContact CD1-CZ 3.9Å; I209-F213 HydrophobicContact CG2-CD2 4.13Å; I209-F213 PolarHBondContact O-N 3.19Å; F213-L215 PolarHBondContact O-N 3.07Å |
| 214 | A | 96.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.9 | -10.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F64 V210 N216 G218 A219 | F64-A214 HydrophobicContact CE2-CB 3.96Å; F64-A214 HydrophobicContact CZ-CB 3.67Å; V210-A214 HydrophobicContact CG1-CB 3.98Å; V210-A214 WeakPolarHBondContact O-CB 3.5Å; V210-A214 PolarHBondContact O-N 3.41Å; A214-N216 PolarHBondContact O-N 2.81Å; A214-G218 WeakPolarHBondContact O-CA 3.27Å; A214-G218 PolarHBondContact O-N 3.22Å; A214-A219 HydrophobicContact CB-CB 3.52Å |
| 215 | L | 97.1 | Very high | 97.9 | Very high | 133 Ų | 133 | 31 Ų | 31 | 70% | 0.696 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.9 | -44.9 | -174.3 | -179.9 | 61.4 | 0 | 0 | 0 | 113.1 | S161 F213 | S161-L215 WeakPolarHBondContact CB-O 3.45Å; S161-L215 PolarHBondContact OG-O 3.3Å; F213-L215 PolarHBondContact O-N 3.07Å |
| 216 | N | 97.9 | Very high | 97.9 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -74.7 | -39.4 | -171 | -62.5 | -45.9 | 0 | 0 | 0 | 113 | S161 A162 C167 D170 A214 | S161-N216 PolarHBondContact N-O 3.22Å; A162-N216 HydrophobicContact CB-CB 4.2Å; C167-N216 PolarHBondContact SG-O 3.29Å; D170-N216 HydrophobicContact CB-CB 4.27Å; D170-N216 PolarHBondContact OD2-ND2 3.49Å; A214-N216 PolarHBondContact O-N 2.81Å |
| 217 | A | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -142.8 | 13.4 | -168 | 0 | 0 | 0 | 0 | 0 | 113.7 | T158 C167 Q171 A219 F249 | T158-A217 VanDerWaalsContact CB-O 3.25Å; T158-A217 WeakPolarHBondContact CB-O 3.29Å; T158-A217 WeakPolarHBondContact CG2-O 3.44Å; C167-A217 HydrophobicContact CB-CB 3.75Å; Q171-A217 HydrophobicContact CG-CB 4.12Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.88Å; A217-F249 HydrophobicContact CB-CZ 4.25Å |
| 218 | G | 96 | Very high | 97.9 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | A214 | A214-G218 WeakPolarHBondContact O-CA 3.27Å; A214-G218 PolarHBondContact O-N 3.22Å |
| 219 | A | 95.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 61.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V210 A214 A217 L221 | V210-A219 HydrophobicContact CG2-CB 4.14Å; A214-A219 HydrophobicContact CB-CB 3.52Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.88Å; A219-L221 HydrophobicContact CB-CD1 4.18Å; A219-L221 HydrophobicContact CB-CG 4.17Å |
| 220 | A | 97.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | trans | -62.4 | -50.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | T158 Q171 N222 R225 D226 P253 | T158-A220 HydrophobicContact CG2-CB 3.65Å; Q171-A220 VanDerWaalsContact OE1-CB 3.28Å; A220-N222 WeakPolarHBondContact O-CB 3.28Å; A220-N222 PolarHBondContact O-N 3.45Å; A220-R225 WeakPolarHBondContact O-CD 3.29Å; A220-D226 HydrophobicContact CB-CB 4.38Å; A220-P253 HydrophobicContact CB-CB 3.36Å | ||
| 221 | L | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | trans | 56.4 | -3.9 | 174.2 | -49.2 | 173.5 | 0 | 0 | 0 | 116.3 | N91 G174 T175 L178 I209 A219 | N91-L221 PolarHBondContact ND2-O 3.04Å; G174-L221 VanDerWaalsContact C-CD2 3.42Å; T175-L221 WeakPolarHBondContact CG2-O 3.41Å; T175-L221 WeakPolarHBondContact OG1-CA 3.34Å; L178-L221 HydrophobicContact CD2-CB 3.93Å; I209-L221 HydrophobicContact CB-CD1 4.36Å; I209-L221 HydrophobicContact CG2-CD1 3.59Å; I209-L221 HydrophobicContact CG2-CD2 3.95Å; I209-L221 HydrophobicContact CG2-CG 4.42Å; A219-L221 HydrophobicContact CB-CD1 4.18Å; A219-L221 HydrophobicContact CB-CG 4.17Å | ||
| 222 | N | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | trans | -158.5 | 111.6 | -162.2 | 176.3 | -12.2 | 0 | 0 | 0 | 108.8 | C90 N91 P92 A220 A224 R225 D226 | C90-N222 PolarHBondContact O-ND2 3.5Å; N91-N222 HydrophobicContact CB-CB 4.34Å; N91-N222 VanDerWaalsContact CG-CG 3.44Å; N91-N222 WeakPolarHBondContact ND2-CB 3.28Å; P92-N222 VanDerWaalsContact CD-OD1 3.28Å; P92-N222 WeakPolarHBondContact CD-OD1 3.49Å; A220-N222 WeakPolarHBondContact O-CB 3.28Å; A220-N222 PolarHBondContact O-N 3.45Å; N222-A224 VanDerWaalsContact C-N 3.27Å; N222-A224 PolarHBondContact O-N 2.89Å; N222-A224 WeakPolarHBondContact OD1-CB 3.47Å; N222-A224 PolarHBondContact OD1-N 2.88Å; N222-R225 HydrophobicContact CB-CB 3.7Å; N222-R225 PolarHBondContact O-N 2.97Å; N222-R225 PolarHBondContact OD1-N 2.89Å; N222-D226 PolarHBondContact O-N 3.39Å | ||
| 223 | P | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -34.8 | -180 | -26.8 | 35.9 | 0 | 0 | 0 | 113.8 | P92 A93 D226 L227 I254 P257 Y258 | P92-P223 HydrophobicContact CB-CB 4.31Å; P92-P223 HydrophobicContact CB-CG 4.3Å; P92-P223 HydrophobicContact CG-CB 4.23Å; A93-P223 HydrophobicContact CB-CG 4.13Å; P223-D226 PolarHBondContact O-N 2.96Å; P223-L227 WeakPolarHBondContact O-CB 3.46Å; P223-L227 PolarHBondContact O-N 3.33Å; P223-I254 HydrophobicContact CB-CG2 4.43Å; P223-P257 HydrophobicContact CG-CB 4.09Å; P223-Y258 HydrophobicContact CB-CE2 4.05Å; P223-Y258 HydrophobicContact CG-CD2 3.95Å; P223-Y258 HydrophobicContact CG-CE1 4.45Å; P223-Y258 HydrophobicContact CG-CE2 3.65Å; P223-Y258 HydrophobicContact CG-CG 4.46Å |
| 224 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P92 Q116 I117 A120 N222 D226 G228 P229 | P92-A224 VanDerWaalsContact CD-CB 3.5Å; P92-A224 HydrophobicContact CG-CB 3.75Å; Q116-A224 HydrophobicContact CB-CB 3.79Å; I117-A224 HydrophobicContact CG1-CB 3.97Å; A120-A224 HydrophobicContact CB-CB 4.45Å; A120-A224 WeakPolarHBondContact CB-O 3.36Å; N222-A224 VanDerWaalsContact C-N 3.27Å; N222-A224 PolarHBondContact O-N 2.89Å; N222-A224 WeakPolarHBondContact OD1-CB 3.47Å; N222-A224 PolarHBondContact OD1-N 2.88Å; A224-D226 PolarHBondContact O-N 2.97Å; A224-G228 PolarHBondContact O-N 2.94Å; A224-P229 WeakPolarHBondContact O-CD 3.44Å |
| 225 | R | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -20.2 | 177.1 | 175.5 | -94.3 | 176.2 | -91.8 | 10.2 | 113.2 | M41 W71 F156 A220 N222 P229 | M41-R225 HydrophobicContact CE-CG 4.4Å; M41-R225 HydrophobicContact SD-CB 4.04Å; M41-R225 HydrophobicContact SD-CG 3.66Å; W71-R225 HydrophobicContact CH2-CG 3.73Å; W71-R225 VanDerWaalsContact CH2-NE 3.28Å; W71-R225 HydrophobicContact CZ3-CG 3.8Å; F156-R225 PolarHBondContact O-NH1 2.91Å; A220-R225 WeakPolarHBondContact O-CD 3.29Å; N222-R225 HydrophobicContact CB-CB 3.7Å; N222-R225 PolarHBondContact O-N 2.97Å; N222-R225 PolarHBondContact OD1-N 2.89Å; R225-P229 WeakPolarHBondContact O-CG 3.26Å |
| 226 | D | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -107 | -52.2 | 177.1 | -169.5 | 92.9 | 0 | 0 | 0 | 111.8 | T158 A220 N222 P223 A224 G228 P229 R230 P253 | T158-D226 PolarHBondContact N-OD1 2.85Å; T158-D226 PolarHBondContact OG1-OD1 3.37Å; A220-D226 HydrophobicContact CB-CB 4.38Å; N222-D226 PolarHBondContact O-N 3.39Å; P223-D226 PolarHBondContact O-N 2.96Å; A224-D226 PolarHBondContact O-N 2.97Å; D226-G228 PolarHBondContact O-N 3.42Å; D226-P229 WeakPolarHBondContact O-CD 3.4Å; D226-R230 WeakPolarHBondContact O-CB 3.36Å; D226-R230 PolarHBondContact O-N 3.25Å; D226-R230 IonicContact OD1-CZ 2.71Å; D226-R230 IonicContact OD1-NH2 3.92Å; D226-R230 PolarHBondContact OD1-NH2 3Å; D226-R230 IonicContact OD2-CZ 2.78Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 IonicContact OD2-NH2 3.99Å; D226-R230 PolarHBondContact OD2-NH2 3.48Å; D226-P253 HydrophobicContact CB-CB 3.88Å; D226-P253 HydrophobicContact CB-CG 4.23Å; D226-P253 VanDerWaalsContact CG-CG 3.44Å; D226-P253 VanDerWaalsContact OD2-CG 3.29Å; D226-P253 WeakPolarHBondContact OD2-CG 3.4Å |
| 227 | L | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 23.6 Ų | 23.6 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | -176.3 | -179 | 58 | 0 | 0 | 0 | 113.2 | I117 P223 R230 L231 F243 I254 | I117-L227 HydrophobicContact CD1-CD2 3.94Å; P223-L227 WeakPolarHBondContact O-CB 3.46Å; P223-L227 PolarHBondContact O-N 3.33Å; L227-R230 PolarHBondContact O-N 3.27Å; L227-L231 HydrophobicContact CD1-CD1 4.33Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.25Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-F243 HydrophobicContact CD1-CE1 4.15Å; L227-F243 HydrophobicContact CD1-CZ 4.47Å; L227-I254 HydrophobicContact CB-CD1 4.4Å; L227-I254 HydrophobicContact CD1-CD1 4.15Å; L227-I254 HydrophobicContact CD2-CD1 4.48Å |
| 228 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -56.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F121 A224 D226 R230 L231 M232 | F121-G228 WeakPolarHBondContact CD2-O 3.16Å; A224-G228 PolarHBondContact O-N 2.94Å; D226-G228 PolarHBondContact O-N 3.42Å; G228-R230 VanDerWaalsContact C-N 3.26Å; G228-R230 PolarHBondContact O-N 2.87Å; G228-L231 WeakPolarHBondContact O-CB 3.36Å; G228-L231 PolarHBondContact O-N 3.11Å; G228-M232 PolarHBondContact O-N 3.04Å; G228-M232 VanDerWaalsContact O-N 3.11Å |
| 229 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -29.1 | 176.2 | -22.9 | 34.4 | 0 | 0 | 0 | 113.5 | M41 S124 F156 V157 A224 R225 D226 M232 I233 | M41-P229 HydrophobicContact CE-CB 4.46Å; M41-P229 HydrophobicContact CE-CG 3.53Å; M41-P229 HydrophobicContact CG-CG 4.34Å; M41-P229 HydrophobicContact SD-CG 4.12Å; S124-P229 WeakPolarHBondContact OG-CB 3.18Å; S124-P229 WeakPolarHBondContact OG-CG 3.38Å; F156-P229 HydrophobicContact CB-CB 3.91Å; F156-P229 WeakPolarHBondContact O-CB 3.45Å; V157-P229 HydrophobicContact CG1-CB 4.19Å; A224-P229 WeakPolarHBondContact O-CD 3.44Å; R225-P229 WeakPolarHBondContact O-CG 3.26Å; D226-P229 WeakPolarHBondContact O-CD 3.4Å; P229-M232 WeakPolarHBondContact O-CB 3.48Å; P229-M232 PolarHBondContact O-N 2.84Å; P229-I233 PolarHBondContact O-N 2.87Å |
| 230 | R | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 175 | -166.9 | 174.2 | -62.7 | -76.4 | 0.1 | 112.4 | V157 T158 D226 L227 G228 M232 I233 F234 A242 F243 | V157-R230 HydrophobicContact CG1-CB 3.7Å; V157-R230 HydrophobicContact CG1-CG 4.28Å; T158-R230 PolarHBondContact O-NH2 3.49Å; D226-R230 WeakPolarHBondContact O-CB 3.36Å; D226-R230 PolarHBondContact O-N 3.25Å; D226-R230 IonicContact OD1-CZ 2.71Å; D226-R230 IonicContact OD1-NH2 3.92Å; D226-R230 PolarHBondContact OD1-NH2 3Å; D226-R230 IonicContact OD2-CZ 2.78Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 IonicContact OD2-NH2 3.99Å; D226-R230 PolarHBondContact OD2-NH2 3.48Å; L227-R230 PolarHBondContact O-N 3.27Å; G228-R230 VanDerWaalsContact C-N 3.26Å; G228-R230 PolarHBondContact O-N 2.87Å; R230-M232 VanDerWaalsContact C-N 3.28Å; R230-M232 PolarHBondContact O-N 3.29Å; R230-I233 VanDerWaalsContact O-CG1 3.32Å; R230-I233 WeakPolarHBondContact O-CG1 3.25Å; R230-I233 PolarHBondContact O-N 3Å; R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 2.86Å; R230-A242 VanDerWaalsContact CD-O 3.28Å; R230-A242 WeakPolarHBondContact CD-O 3.25Å; R230-A242 HydrophobicContact CG-CB 4.14Å; R230-A242 WeakPolarHBondContact CG-O 3.13Å; R230-A242 PolarHBondContact NH1-O 2.83Å; R230-F243 HydrophobicContact CG-CD1 4.24Å; R230-F243 HydrophobicContact CG-CE1 3.83Å; R230-F243 HydrophobicContact CG-CE2 4.39Å; R230-F243 HydrophobicContact CG-CZ 3.91Å |
| 231 | L | 98.9 | Very high | 98.5 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 170.8 | -70.9 | 165.9 | 0 | 0 | 0 | 111.3 | I117 F121 L227 G228 I235 F243 | I117-L231 HydrophobicContact CG2-CD1 4.22Å; F121-L231 HydrophobicContact CD2-CB 3.97Å; F121-L231 HydrophobicContact CE2-CB 4.27Å; L227-L231 HydrophobicContact CD1-CD1 4.33Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.25Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.27Å; G228-L231 WeakPolarHBondContact O-CB 3.36Å; G228-L231 PolarHBondContact O-N 3.11Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.46Å; L231-F243 HydrophobicContact CD2-CE2 4.43Å; L231-F243 HydrophobicContact CD2-CZ 3.89Å; L231-F243 HydrophobicContact CG-CZ 4.34Å |
| 232 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -55.6 | 175.5 | -177 | -76.8 | -70.1 | 0 | 0 | 110.9 | F121 L125 F128 F156 G228 P229 R230 F234 I235 F236 | F121-M232 HydrophobicContact CD2-CB 3.75Å; F121-M232 VanDerWaalsContact CE2-CA 3.45Å; F121-M232 HydrophobicContact CE2-CB 3.76Å; F121-M232 HydrophobicContact CE2-CG 4.45Å; F121-M232 HydrophobicContact CG-CB 4.41Å; F121-M232 HydrophobicContact CZ-CB 4.4Å; L125-M232 HydrophobicContact CB-CG 4.19Å; L125-M232 HydrophobicContact CD1-CG 4.21Å; F128-M232 HydrophobicContact CB-CE 4.13Å; F128-M232 HydrophobicContact CB-SD 4.22Å; F128-M232 HydrophobicContact CG-SD 4.32Å; F156-M232 HydrophobicContact CB-CE 4.26Å; F156-M232 HydrophobicContact CD1-CE 3.51Å; F156-M232 HydrophobicContact CD2-CE 3.96Å; F156-M232 HydrophobicContact CE1-CE 3.74Å; F156-M232 HydrophobicContact CE2-CE 4.17Å; F156-M232 HydrophobicContact CG-CE 3.62Å; F156-M232 HydrophobicContact CZ-CE 4.07Å; G228-M232 PolarHBondContact O-N 3.04Å; G228-M232 VanDerWaalsContact O-N 3.11Å; P229-M232 WeakPolarHBondContact O-CB 3.48Å; P229-M232 PolarHBondContact O-N 2.84Å; R230-M232 VanDerWaalsContact C-N 3.28Å; R230-M232 PolarHBondContact O-N 3.29Å; M232-F234 VanDerWaalsContact C-N 3.25Å; M232-F234 PolarHBondContact O-N 2.83Å; M232-I235 PolarHBondContact O-N 3.26Å; M232-F236 HydrophobicContact CG-CD2 3.96Å; M232-F236 VanDerWaalsContact O-CD2 3.31Å; M232-F236 WeakPolarHBondContact O-CD2 3.3Å; M232-F236 PolarHBondContact O-N 3.24Å; M232-F236 HydrophobicContact SD-CB 4.09Å; M232-F236 HydrophobicContact SD-CD2 4.19Å; M232-F236 HydrophobicContact SD-CG 4.47Å |
| 233 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -29.2 | -177.7 | 64.5 | 168.2 | 0 | 0 | 0 | 112.8 | L149 F156 V157 P229 R230 I235 F236 G237 W238 G239 A242 | L149-I233 HydrophobicContact CD1-CD1 3.55Å; F156-I233 HydrophobicContact CB-CG2 3.93Å; F156-I233 HydrophobicContact CD2-CG2 3.72Å; F156-I233 HydrophobicContact CG-CG2 4.01Å; V157-I233 HydrophobicContact CG1-CD1 3.89Å; V157-I233 HydrophobicContact CG1-CG1 4.44Å; V157-I233 HydrophobicContact CG2-CD1 3.75Å; P229-I233 PolarHBondContact O-N 2.87Å; R230-I233 VanDerWaalsContact O-CG1 3.32Å; R230-I233 WeakPolarHBondContact O-CG1 3.25Å; R230-I233 PolarHBondContact O-N 3Å; I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 3.42Å; I233-F236 PolarHBondContact O-N 3.27Å; I233-G237 PolarHBondContact O-N 3.12Å; I233-W238 HydrophobicContact CB-CB 4.02Å; I233-W238 HydrophobicContact CB-CD2 3.81Å; I233-W238 HydrophobicContact CB-CE3 3.65Å; I233-W238 HydrophobicContact CB-CG 3.98Å; I233-W238 HydrophobicContact CB-CZ3 4.39Å; I233-W238 HydrophobicContact CD1-CB 4.35Å; I233-W238 HydrophobicContact CD1-CG 4.3Å; I233-W238 HydrophobicContact CG1-CB 4.36Å; I233-W238 HydrophobicContact CG2-CD2 4.1Å; I233-W238 HydrophobicContact CG2-CE3 3.84Å; I233-W238 HydrophobicContact CG2-CZ3 4.11Å; I233-W238 WeakPolarHBondContact O-CB 3.24Å; I233-W238 PolarHBondContact O-N 3.25Å; I233-G239 PolarHBondContact O-N 3.44Å; I233-A242 HydrophobicContact CD1-CB 4.02Å; I233-A242 HydrophobicContact CG1-CB 3.83Å |
| 234 | F | 98.7 | Very high | 98.4 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 171.9 | 172.3 | -104.7 | 0 | 0 | 0 | 111.4 | R230 M232 G239 N240 A242 F243 | R230-F234 WeakPolarHBondContact O-CB 3.41Å; R230-F234 PolarHBondContact O-N 2.86Å; M232-F234 VanDerWaalsContact C-N 3.25Å; M232-F234 PolarHBondContact O-N 2.83Å; F234-G239 WeakPolarHBondContact CD2-O 3.5Å; F234-G239 WeakPolarHBondContact O-CA 3.28Å; F234-N240 WeakPolarHBondContact CE2-OD1 3.44Å; F234-A242 HydrophobicContact CB-CB 3.8Å; F234-A242 HydrophobicContact CD2-CB 4.49Å; F234-F243 HydrophobicContact CB-CD2 4.35Å; F234-F243 HydrophobicContact CB-CE2 3.79Å; F234-F243 HydrophobicContact CD1-CE2 4.46Å; F234-F243 AromaticContact CD2-CD2 3.86Å; F234-F243 HydrophobicContact CD2-CD2 3.86Å; F234-F243 AromaticContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CE2-CD2 4.48Å; F234-F243 HydrophobicContact CG-CD2 4.2Å; F234-F243 AromaticContact CG-CE2 3.82Å; F234-F243 HydrophobicContact CG-CE2 3.82Å |
| 235 | I | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 54% | 0.538 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -79.7 | -39.9 | -179.9 | -63 | 170.9 | 0 | 0 | 0 | 111.4 | F121 L231 M232 I233 G237 | F121-I235 HydrophobicContact CE2-CD1 4.1Å; F121-I235 HydrophobicContact CZ-CD1 4.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.46Å; M232-I235 PolarHBondContact O-N 3.26Å; I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 3.42Å; I235-G237 PolarHBondContact O-N 2.84Å |
| 236 | F | 98 | Very high | 98.3 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 33.1 | -167.2 | -69.1 | -83.4 | 0 | 0 | 0 | 114.5 | F121 L125 F128 M232 I233 | F121-F236 HydrophobicContact CZ-CE2 4.17Å; L125-F236 HydrophobicContact CD1-CD1 4.47Å; L125-F236 HydrophobicContact CD1-CD2 4.07Å; L125-F236 HydrophobicContact CD1-CE1 4.24Å; L125-F236 HydrophobicContact CD1-CE2 3.84Å; L125-F236 HydrophobicContact CD1-CG 4.39Å; L125-F236 HydrophobicContact CD1-CZ 3.93Å; F128-F236 HydrophobicContact CE1-CB 4.07Å; F128-F236 HydrophobicContact CE1-CD1 4.27Å; F128-F236 HydrophobicContact CE1-CG 4.43Å; F128-F236 HydrophobicContact CZ-CB 4.32Å; M232-F236 HydrophobicContact CG-CD2 3.96Å; M232-F236 VanDerWaalsContact O-CD2 3.31Å; M232-F236 WeakPolarHBondContact O-CD2 3.3Å; M232-F236 PolarHBondContact O-N 3.24Å; M232-F236 HydrophobicContact SD-CB 4.09Å; M232-F236 HydrophobicContact SD-CD2 4.19Å; M232-F236 HydrophobicContact SD-CG 4.47Å; I233-F236 PolarHBondContact O-N 3.27Å |
| 237 | G | 96.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 124.3 | -19.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | I233 I235 G239 | I233-G237 PolarHBondContact O-N 3.12Å; I235-G237 PolarHBondContact O-N 2.84Å; G237-G239 VanDerWaalsContact C-N 3.31Å |
| 238 | W | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.038 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -78 | -21.1 | 174.2 | -73.7 | -105.5 | 0 | 0 | 0 | 112.1 | F128 I135 L147 L148 T152 G153 F156 I233 | F128-W238 HydrophobicContact CD2-CH2 4.32Å; F128-W238 HydrophobicContact CD2-CZ3 4.24Å; F128-W238 HydrophobicContact CE2-CH2 4.16Å; F128-W238 AromaticContact CE2-CZ3 3.92Å; F128-W238 HydrophobicContact CE2-CZ3 3.92Å; I135-W238 HydrophobicContact CG2-CH2 3.94Å; I135-W238 HydrophobicContact CG2-CZ2 4.31Å; L147-W238 HydrophobicContact CB-CD2 3.73Å; L147-W238 HydrophobicContact CB-CE3 4.16Å; L147-W238 HydrophobicContact CB-CG 4.06Å; L147-W238 HydrophobicContact CB-CH2 4.49Å; L147-W238 HydrophobicContact CB-CZ2 4.09Å; L147-W238 HydrophobicContact CD1-CD2 4.33Å; L147-W238 HydrophobicContact CD1-CE3 3.89Å; L147-W238 HydrophobicContact CD1-CH2 4.07Å; L147-W238 HydrophobicContact CD1-CZ2 4.49Å; L147-W238 HydrophobicContact CD1-CZ3 3.75Å; L147-W238 HydrophobicContact CD2-CH2 4.27Å; L147-W238 HydrophobicContact CD2-CZ2 4.22Å; L147-W238 HydrophobicContact CG-CZ2 4.5Å; L148-W238 PolarHBondContact O-NE1 2.99Å; T152-W238 VanDerWaalsContact OG1-CZ2 3.25Å; T152-W238 WeakPolarHBondContact OG1-CZ2 3.32Å; T152-W238 PolarHBondContact OG1-NE1 3.5Å; G153-W238 VanDerWaalsContact N-NE1 3.19Å; F156-W238 HydrophobicContact CD2-CH2 4.42Å; F156-W238 HydrophobicContact CE2-CH2 4.01Å; F156-W238 HydrophobicContact CE2-CZ2 4.46Å; I233-W238 HydrophobicContact CB-CB 4.02Å; I233-W238 HydrophobicContact CB-CD2 3.81Å; I233-W238 HydrophobicContact CB-CE3 3.65Å; I233-W238 HydrophobicContact CB-CG 3.98Å; I233-W238 HydrophobicContact CB-CZ3 4.39Å; I233-W238 HydrophobicContact CD1-CB 4.35Å; I233-W238 HydrophobicContact CD1-CG 4.3Å; I233-W238 HydrophobicContact CG1-CB 4.36Å; I233-W238 HydrophobicContact CG2-CD2 4.1Å; I233-W238 HydrophobicContact CG2-CE3 3.84Å; I233-W238 HydrophobicContact CG2-CZ3 4.11Å; I233-W238 WeakPolarHBondContact O-CB 3.24Å; I233-W238 PolarHBondContact O-N 3.25Å |
| 239 | G | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -147.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I233 F234 G237 K241 A242 | I233-G239 PolarHBondContact O-N 3.44Å; F234-G239 WeakPolarHBondContact CD2-O 3.5Å; F234-G239 WeakPolarHBondContact O-CA 3.28Å; G237-G239 VanDerWaalsContact C-N 3.31Å; G239-K241 PolarHBondContact O-N 3.3Å; G239-A242 VanDerWaalsContact O-CB 3.26Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.39Å |
| 240 | N | 98.2 | Very high | 98.1 | Very high | 122 Ų | 122 | 54.8 Ų | 54.8 | 65% | 0.652 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.3 | -175.7 | -68.5 | -26.3 | 0 | 0 | 0 | 114.4 | F234 A242 F243 S244 | F234-N240 WeakPolarHBondContact CE2-OD1 3.44Å; N240-A242 PolarHBondContact O-N 2.92Å; N240-F243 PolarHBondContact O-N 3.31Å; N240-S244 WeakPolarHBondContact O-CB 3.33Å; N240-S244 PolarHBondContact O-N 2.98Å; N240-S244 PolarHBondContact O-OG 2.89Å |
| 241 | K | 97.7 | Very high | 98.1 | Very high | 131 Ų | 131 | 59.2 Ų | 59.2 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.2 | -20.3 | 176.9 | -68.1 | -64.5 | -177.3 | -176.6 | 0 | 112.4 | L149 G239 F243 G245 | L149-K241 WeakPolarHBondContact CD2-O 3.22Å; G239-K241 PolarHBondContact O-N 3.3Å; K241-F243 PolarHBondContact O-N 3.22Å; K241-G245 VanDerWaalsContact O-CA 3.27Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 3.33Å |
| 242 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.4 | -34.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R230 I233 F234 G239 N240 | R230-A242 VanDerWaalsContact CD-O 3.28Å; R230-A242 WeakPolarHBondContact CD-O 3.25Å; R230-A242 HydrophobicContact CG-CB 4.14Å; R230-A242 WeakPolarHBondContact CG-O 3.13Å; R230-A242 PolarHBondContact NH1-O 2.83Å; I233-A242 HydrophobicContact CD1-CB 4.02Å; I233-A242 HydrophobicContact CG1-CB 3.83Å; F234-A242 HydrophobicContact CB-CB 3.8Å; F234-A242 HydrophobicContact CD2-CB 4.49Å; G239-A242 VanDerWaalsContact O-CB 3.26Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.39Å; N240-A242 PolarHBondContact O-N 2.92Å |
| 243 | F | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -114 | -30.1 | -178.7 | -65.4 | -78.8 | 0 | 0 | 0 | 113.8 | L227 R230 L231 F234 N240 K241 F250 | L227-F243 HydrophobicContact CD1-CE1 4.15Å; L227-F243 HydrophobicContact CD1-CZ 4.47Å; R230-F243 HydrophobicContact CG-CD1 4.24Å; R230-F243 HydrophobicContact CG-CE1 3.83Å; R230-F243 HydrophobicContact CG-CE2 4.39Å; R230-F243 HydrophobicContact CG-CZ 3.91Å; L231-F243 HydrophobicContact CD2-CE2 4.43Å; L231-F243 HydrophobicContact CD2-CZ 3.89Å; L231-F243 HydrophobicContact CG-CZ 4.34Å; F234-F243 HydrophobicContact CB-CD2 4.35Å; F234-F243 HydrophobicContact CB-CE2 3.79Å; F234-F243 HydrophobicContact CD1-CE2 4.46Å; F234-F243 AromaticContact CD2-CD2 3.86Å; F234-F243 HydrophobicContact CD2-CD2 3.86Å; F234-F243 AromaticContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CD2-CE2 3.96Å; F234-F243 HydrophobicContact CE2-CD2 4.48Å; F234-F243 HydrophobicContact CG-CD2 4.2Å; F234-F243 AromaticContact CG-CE2 3.82Å; F234-F243 HydrophobicContact CG-CE2 3.82Å; N240-F243 PolarHBondContact O-N 3.31Å; K241-F243 PolarHBondContact O-N 3.22Å; F243-F250 HydrophobicContact CB-CD1 4.41Å; F243-F250 HydrophobicContact CD1-CB 4.16Å; F243-F250 HydrophobicContact CD1-CD1 4.48Å; F243-F250 AromaticContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CE2 4.3Å; F243-F250 AromaticContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CE1-CD2 4.33Å; F243-F250 WeakPolarHBondContact O-CD1 3.32Å |
| 244 | S | 98.3 | Very high | 98.1 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.1 | -11.2 | 177.9 | 61 | 0 | 0 | 0 | 0 | 114 | N240 | N240-S244 WeakPolarHBondContact O-CB 3.33Å; N240-S244 PolarHBondContact O-N 2.98Å; N240-S244 PolarHBondContact O-OG 2.89Å |
| 245 | G | 97.1 | Very high | 98.1 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | 153.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K241 N247 Y248 F249 | K241-G245 VanDerWaalsContact O-CA 3.27Å; K241-G245 WeakPolarHBondContact O-CA 3.27Å; K241-G245 PolarHBondContact O-N 3.33Å; G245-N247 PolarHBondContact O-N 3.13Å; G245-Y248 PolarHBondContact O-N 2.97Å; G245-Y248 VanDerWaalsContact O-N 3.13Å; G245-F249 PolarHBondContact O-N 3.39Å |
| 246 | A | 96.8 | Very high | 98.1 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | 49.2 | 42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P160 H164 F249 | P160-A246 HydrophobicContact CG-CB 3.5Å; H164-A246 PolarHBondContact CE1-O 3.48Å; H164-A246 VanDerWaalsContact CE1-O 3.26Å; H164-A246 PolarHBondContact NE2-O 3.49Å; A246-F249 HydrophobicContact CB-CB 3.88Å |
| 247 | N | 97.5 | Very high | 98.2 | Very high | 130 Ų | 130 | 47.9 Ų | 47.9 | 70% | 0.695 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | 60.4 | 47 | -179.3 | -147.9 | 17.3 | 0 | 0 | 0 | 113.5 | H164 G245 | H164-N247 PolarHBondContact CE1-O 2.97Å; G245-N247 PolarHBondContact O-N 3.13Å |
| 248 | Y | 98.2 | Very high | 98.3 | Very high | 142 Ų | 142 | 48.4 Ų | 48.4 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | 65.1 | 39.5 | -177.4 | -54.8 | -86.4 | 0 | 0 | 0 | 114.5 | G245 F250 | G245-Y248 PolarHBondContact O-N 2.97Å; G245-Y248 VanDerWaalsContact O-N 3.13Å; Y248-F250 HydrophobicContact CD1-CE1 4.31Å; Y248-F250 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact O-N 3.1Å |
| 249 | F | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -59 | -23.9 | -179.3 | 178.1 | -101.1 | 0 | 0 | 0 | 114.8 | P160 C167 A217 G245 A246 W251 I252 P253 | P160-F249 HydrophobicContact CB-CD2 3.65Å; P160-F249 HydrophobicContact CB-CE2 3.63Å; P160-F249 HydrophobicContact CB-CG 4.34Å; P160-F249 HydrophobicContact CB-CZ 4.28Å; P160-F249 HydrophobicContact CG-CB 4.24Å; P160-F249 HydrophobicContact CG-CD2 3.64Å; P160-F249 HydrophobicContact CG-CE2 4.09Å; P160-F249 HydrophobicContact CG-CG 3.88Å; C167-F249 HydrophobicContact CB-CE2 3.67Å; C167-F249 HydrophobicContact CB-CZ 4.3Å; A217-F249 HydrophobicContact CB-CZ 4.25Å; G245-F249 PolarHBondContact O-N 3.39Å; A246-F249 HydrophobicContact CB-CB 3.88Å; F249-W251 PolarHBondContact O-N 3.49Å; F249-I252 HydrophobicContact CD2-CB 4.33Å; F249-I252 HydrophobicContact CD2-CD1 3.72Å; F249-I252 HydrophobicContact CD2-CG1 4.46Å; F249-I252 HydrophobicContact CE2-CB 4.01Å; F249-I252 HydrophobicContact CE2-CD1 3.75Å; F249-I252 HydrophobicContact CE2-CG1 4.44Å; F249-I252 HydrophobicContact CE2-CG2 4.06Å; F249-I252 HydrophobicContact CZ-CB 4.29Å; F249-I252 HydrophobicContact CZ-CG2 4.2Å; F249-I252 WeakPolarHBondContact O-CB 3.45Å; F249-I252 PolarHBondContact O-N 3.3Å; F249-P253 HydrophobicContact CE1-CG 4.17Å; F249-P253 VanDerWaalsContact O-CD 3.29Å; F249-P253 WeakPolarHBondContact O-CD 3.4Å |
| 250 | F | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -52.2 | -27 | -169.1 | 78.5 | -82.1 | 0 | 0 | 0 | 115.8 | F243 Y248 I252 P253 I254 | F243-F250 HydrophobicContact CB-CD1 4.41Å; F243-F250 HydrophobicContact CD1-CB 4.16Å; F243-F250 HydrophobicContact CD1-CD1 4.48Å; F243-F250 AromaticContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CD2 3.77Å; F243-F250 HydrophobicContact CD1-CE2 4.3Å; F243-F250 AromaticContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CD1-CG 3.86Å; F243-F250 HydrophobicContact CE1-CD2 4.33Å; F243-F250 WeakPolarHBondContact O-CD1 3.32Å; Y248-F250 HydrophobicContact CD1-CE1 4.31Å; Y248-F250 PolarHBondContact O-N 3.47Å; Y248-F250 VanDerWaalsContact O-N 3.1Å; F250-I252 VanDerWaalsContact C-N 3.34Å; F250-P253 WeakPolarHBondContact O-CD 3.38Å; F250-P253 WeakPolarHBondContact O-CG 3.25Å; F250-I254 HydrophobicContact CD2-CD1 4.11Å; F250-I254 WeakPolarHBondContact O-CD1 3.4Å; F250-I254 WeakPolarHBondContact O-CG1 3.27Å |
| 251 | W | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -74.9 | -25.5 | -178.1 | 70.3 | -96.9 | 0 | 0 | 0 | 112.2 | F168 F249 I254 V255 | F168-W251 AromaticContact CD2-CH2 3.96Å; F168-W251 HydrophobicContact CD2-CH2 3.96Å; F168-W251 AromaticContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CD2-CZ3 3.72Å; F168-W251 HydrophobicContact CE2-CH2 4.46Å; F168-W251 AromaticContact CE2-CZ3 3.93Å; F168-W251 HydrophobicContact CE2-CZ3 3.93Å; F249-W251 PolarHBondContact O-N 3.49Å; W251-I254 PolarHBondContact O-N 3.34Å; W251-V255 HydrophobicContact CE3-CB 4Å; W251-V255 HydrophobicContact CE3-CG2 4.05Å; W251-V255 HydrophobicContact CZ3-CB 4.35Å; W251-V255 WeakPolarHBondContact O-CG2 3.49Å; W251-V255 PolarHBondContact O-N 2.83Å |
| 252 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -52.8 | -179.5 | -68.1 | 174.6 | 0 | 0 | 0 | 112.4 | H164 C167 F168 Q171 F249 F250 I254 V255 G256 P257 | H164-I252 HydrophobicContact CB-CD1 3.78Å; H164-I252 WeakPolarHBondContact O-CD1 3.22Å; C167-I252 HydrophobicContact CB-CD1 4.39Å; C167-I252 HydrophobicContact CB-CG2 4.31Å; F168-I252 HydrophobicContact CB-CG2 4.35Å; Q171-I252 HydrophobicContact CB-CG2 4.49Å; Q171-I252 HydrophobicContact CG-CG2 4.01Å; F249-I252 HydrophobicContact CD2-CB 4.33Å; F249-I252 HydrophobicContact CD2-CD1 3.72Å; F249-I252 HydrophobicContact CD2-CG1 4.46Å; F249-I252 HydrophobicContact CE2-CB 4.01Å; F249-I252 HydrophobicContact CE2-CD1 3.75Å; F249-I252 HydrophobicContact CE2-CG1 4.44Å; F249-I252 HydrophobicContact CE2-CG2 4.06Å; F249-I252 HydrophobicContact CZ-CB 4.29Å; F249-I252 HydrophobicContact CZ-CG2 4.2Å; F249-I252 WeakPolarHBondContact O-CB 3.45Å; F249-I252 PolarHBondContact O-N 3.3Å; F250-I252 VanDerWaalsContact C-N 3.34Å; I252-I254 PolarHBondContact O-N 3.48Å; I252-V255 PolarHBondContact O-N 3.45Å; I252-G256 PolarHBondContact O-N 3.45Å; I252-P257 WeakPolarHBondContact O-CD 3.45Å |
| 253 | P | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | 0.2 | 176.8 | 30.2 | -38 | 0 | 0 | 0 | 113.8 | T158 A220 D226 F249 F250 P257 | T158-P253 WeakPolarHBondContact OG1-CB 3.25Å; A220-P253 HydrophobicContact CB-CB 3.36Å; D226-P253 HydrophobicContact CB-CB 3.88Å; D226-P253 HydrophobicContact CB-CG 4.23Å; D226-P253 VanDerWaalsContact CG-CG 3.44Å; D226-P253 VanDerWaalsContact OD2-CG 3.29Å; D226-P253 WeakPolarHBondContact OD2-CG 3.4Å; F249-P253 HydrophobicContact CE1-CG 4.17Å; F249-P253 VanDerWaalsContact O-CD 3.29Å; F249-P253 WeakPolarHBondContact O-CD 3.4Å; F250-P253 WeakPolarHBondContact O-CD 3.38Å; F250-P253 WeakPolarHBondContact O-CG 3.25Å; P253-P257 WeakPolarHBondContact O-CG 3.25Å |
| 254 | I | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -101.2 | -57.3 | 172.8 | -60.2 | 172 | 0 | 0 | 0 | 109.9 | P223 L227 F250 W251 I252 Y258 | P223-I254 HydrophobicContact CB-CG2 4.43Å; L227-I254 HydrophobicContact CB-CD1 4.4Å; L227-I254 HydrophobicContact CD1-CD1 4.15Å; L227-I254 HydrophobicContact CD2-CD1 4.48Å; F250-I254 HydrophobicContact CD2-CD1 4.11Å; F250-I254 WeakPolarHBondContact O-CD1 3.4Å; F250-I254 WeakPolarHBondContact O-CG1 3.27Å; W251-I254 PolarHBondContact O-N 3.34Å; I252-I254 PolarHBondContact O-N 3.48Å; I254-Y258 HydrophobicContact CG2-CE2 4.36Å; I254-Y258 WeakPolarHBondContact O-CD2 3.45Å |
| 255 | V | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -77 | -43.9 | -172.6 | 178.2 | 0 | 0 | 0 | 0 | 112 | F168 W251 I252 Y258 I259 | F168-V255 HydrophobicContact CE2-CG1 4.3Å; W251-V255 HydrophobicContact CE3-CB 4Å; W251-V255 HydrophobicContact CE3-CG2 4.05Å; W251-V255 HydrophobicContact CZ3-CB 4.35Å; W251-V255 WeakPolarHBondContact O-CG2 3.49Å; W251-V255 PolarHBondContact O-N 2.83Å; I252-V255 PolarHBondContact O-N 3.45Å; V255-Y258 PolarHBondContact O-N 2.92Å; V255-I259 HydrophobicContact CG1-CD1 3.82Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 PolarHBondContact O-N 3.35Å |
| 256 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I252 Y258 I259 G260 | I252-G256 PolarHBondContact O-N 3.45Å; G256-Y258 PolarHBondContact O-N 2.9Å; G256-I259 PolarHBondContact O-N 3.25Å; G256-G260 PolarHBondContact O-N 3.31Å |
| 257 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 176.3 | -31.9 | 40.3 | 0 | 0 | 0 | 115.3 | A93 T175 P223 I252 P253 I259 G260 A261 | A93-P257 HydrophobicContact CB-CB 3.98Å; A93-P257 WeakPolarHBondContact CB-O 3.17Å; T175-P257 HydrophobicContact CG2-CB 3.95Å; T175-P257 VanDerWaalsContact CG2-O 3.26Å; T175-P257 WeakPolarHBondContact CG2-O 3.42Å; T175-P257 WeakPolarHBondContact OG1-CA 3.29Å; P223-P257 HydrophobicContact CG-CB 4.09Å; I252-P257 WeakPolarHBondContact O-CD 3.45Å; P253-P257 WeakPolarHBondContact O-CG 3.25Å; P257-I259 PolarHBondContact O-N 3.26Å; P257-G260 PolarHBondContact O-N 3.33Å; P257-A261 VanDerWaalsContact O-CB 3.28Å; P257-A261 WeakPolarHBondContact O-CB 3.33Å; P257-A261 PolarHBondContact O-N 2.78Å |
| 258 | Y | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.2 | -80.1 | -63.9 | 0 | 0 | 0 | 112 | P92 A93 L96 P223 I254 V255 G256 V262 | P92-Y258 HydrophobicContact CB-CE1 4Å; P92-Y258 WeakPolarHBondContact CB-OH 3.44Å; A93-Y258 HydrophobicContact CB-CD1 4.05Å; A93-Y258 HydrophobicContact CB-CE1 4.49Å; A93-Y258 HydrophobicContact CB-CG 4.47Å; L96-Y258 HydrophobicContact CB-CD1 4.11Å; L96-Y258 HydrophobicContact CB-CE1 4.24Å; L96-Y258 HydrophobicContact CD2-CD1 3.56Å; L96-Y258 HydrophobicContact CD2-CE1 4.22Å; L96-Y258 HydrophobicContact CD2-CG 4.36Å; L96-Y258 HydrophobicContact CG-CD1 4.49Å; P223-Y258 HydrophobicContact CB-CE2 4.05Å; P223-Y258 HydrophobicContact CG-CD2 3.95Å; P223-Y258 HydrophobicContact CG-CE1 4.45Å; P223-Y258 HydrophobicContact CG-CE2 3.65Å; P223-Y258 HydrophobicContact CG-CG 4.46Å; I254-Y258 HydrophobicContact CG2-CE2 4.36Å; I254-Y258 WeakPolarHBondContact O-CD2 3.45Å; V255-Y258 PolarHBondContact O-N 2.92Å; G256-Y258 PolarHBondContact O-N 2.9Å; Y258-V262 WeakPolarHBondContact O-CG2 3.24Å; Y258-V262 PolarHBondContact O-N 2.96Å |
| 259 | I | 98.9 | Very high | 98.7 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 36% | 0.359 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.6 | -65.5 | 169.8 | 0 | 0 | 0 | 109.9 | F168 V172 V255 G256 P257 A261 V262 I263 | F168-I259 HydrophobicContact CE2-CD1 4.11Å; F168-I259 HydrophobicContact CZ-CD1 3.68Å; V172-I259 HydrophobicContact CG1-CG2 4.23Å; V172-I259 HydrophobicContact CG2-CB 4.24Å; V172-I259 HydrophobicContact CG2-CG2 4.12Å; V255-I259 HydrophobicContact CG1-CD1 3.82Å; V255-I259 HydrophobicContact CG1-CG1 4.49Å; V255-I259 PolarHBondContact O-N 3.35Å; G256-I259 PolarHBondContact O-N 3.25Å; P257-I259 PolarHBondContact O-N 3.26Å; I259-A261 PolarHBondContact O-N 3.48Å; I259-V262 PolarHBondContact O-N 2.83Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.86Å |
| 260 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 A176 G256 P257 V262 I263 G264 | V172-G260 WeakPolarHBondContact O-CA 3.36Å; A176-G260 WeakPolarHBondContact CA-O 3.33Å; A176-G260 VanDerWaalsContact CB-O 3.3Å; A176-G260 WeakPolarHBondContact CB-O 3.4Å; A176-G260 PolarHBondContact N-O 3.46Å; G256-G260 PolarHBondContact O-N 3.31Å; P257-G260 PolarHBondContact O-N 3.33Å; G260-V262 PolarHBondContact O-N 3Å; G260-I263 PolarHBondContact O-N 3.01Å; G260-G264 PolarHBondContact O-N 3.23Å |
| 261 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 A97 T175 T179 P257 I259 G264 G265 | A93-A261 VanDerWaalsContact C-CB 3.5Å; A93-A261 HydrophobicContact CB-CB 3.73Å; A93-A261 VanDerWaalsContact O-CB 3.28Å; A93-A261 WeakPolarHBondContact O-CB 3.34Å; A97-A261 HydrophobicContact CB-CB 3.91Å; A97-A261 VanDerWaalsContact CB-O 3.29Å; A97-A261 WeakPolarHBondContact CB-O 3.34Å; T175-A261 HydrophobicContact CG2-CB 3.89Å; T179-A261 HydrophobicContact CG2-CB 4.5Å; T179-A261 WeakPolarHBondContact CG2-O 3.32Å; T179-A261 VanDerWaalsContact OG1-CA 3.25Å; T179-A261 WeakPolarHBondContact OG1-CA 3.49Å; T179-A261 VanDerWaalsContact OG1-CB 3.28Å; T179-A261 WeakPolarHBondContact OG1-CB 3.41Å; P257-A261 VanDerWaalsContact O-CB 3.28Å; P257-A261 WeakPolarHBondContact O-CB 3.33Å; P257-A261 PolarHBondContact O-N 2.78Å; I259-A261 PolarHBondContact O-N 3.48Å; A261-G264 PolarHBondContact O-N 3.33Å; A261-G265 PolarHBondContact O-N 3.03Å |
| 262 | V | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 22% | 0.218 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 178 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L96 V100 Y258 I259 G260 G264 G265 I266 | L96-V262 HydrophobicContact CD2-CG2 3.88Å; L96-V262 HydrophobicContact CG-CG2 4.03Å; V100-V262 HydrophobicContact CG1-CG1 4.35Å; V100-V262 HydrophobicContact CG2-CG2 4.3Å; Y258-V262 WeakPolarHBondContact O-CG2 3.24Å; Y258-V262 PolarHBondContact O-N 2.96Å; I259-V262 PolarHBondContact O-N 2.83Å; G260-V262 PolarHBondContact O-N 3Å; V262-G264 PolarHBondContact O-N 2.94Å; V262-G265 PolarHBondContact O-N 3.42Å; V262-I266 HydrophobicContact CG1-CD1 3.74Å; V262-I266 HydrophobicContact CG1-CG1 4.47Å; V262-I266 WeakPolarHBondContact O-CB 3.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.19Å; V262-I266 PolarHBondContact O-N 3.18Å |
| 263 | I | 98.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.1 | -50 | 175.8 | -69.8 | 170.8 | 0 | 0 | 0 | 110.4 | V172 A176 I259 G260 G265 I266 L267 | V172-I263 HydrophobicContact CG1-CD1 4.15Å; A176-I263 HydrophobicContact CB-CG2 4.47Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.86Å; G260-I263 PolarHBondContact O-N 3.01Å; I263-G265 PolarHBondContact O-N 3.04Å; I263-I266 PolarHBondContact O-N 2.9Å; I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 VanDerWaalsContact O-CG 3.28Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.41Å |
| 264 | G | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A176 A180 G260 A261 V262 L267 Y268 | A176-G264 WeakPolarHBondContact O-CA 3.4Å; A180-G264 WeakPolarHBondContact CB-O 3.43Å; G260-G264 PolarHBondContact O-N 3.23Å; A261-G264 PolarHBondContact O-N 3.33Å; V262-G264 PolarHBondContact O-N 2.94Å; G264-L267 PolarHBondContact O-N 3.5Å; G264-Y268 WeakPolarHBondContact O-CB 3.37Å; G264-Y268 PolarHBondContact O-N 2.97Å |
| 265 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F183 A261 V262 I263 Y268 E269 | F183-G265 VanDerWaalsContact CE2-CA 3.46Å; A261-G265 PolarHBondContact O-N 3.03Å; V262-G265 PolarHBondContact O-N 3.42Å; I263-G265 PolarHBondContact O-N 3.04Å; G265-Y268 PolarHBondContact O-N 3.12Å; G265-E269 PolarHBondContact O-N 3.48Å |
| 266 | I | 98.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 34% | 0.344 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 177.2 | -69.4 | 171.7 | 0 | 0 | 0 | 110.9 | V100 V262 I263 Y268 E269 M270 | V100-I266 HydrophobicContact CG1-CD1 4.3Å; V100-I266 HydrophobicContact CG1-CG1 4.37Å; V262-I266 HydrophobicContact CG1-CD1 3.74Å; V262-I266 HydrophobicContact CG1-CG1 4.47Å; V262-I266 WeakPolarHBondContact O-CB 3.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.19Å; V262-I266 PolarHBondContact O-N 3.18Å; I263-I266 PolarHBondContact O-N 2.9Å; I266-Y268 VanDerWaalsContact C-N 3.31Å; I266-Y268 PolarHBondContact O-N 3.12Å; I266-E269 PolarHBondContact O-N 3.11Å; I266-M270 HydrophobicContact CG2-CG 4.05Å; I266-M270 HydrophobicContact CG2-SD 3.57Å; I266-M270 VanDerWaalsContact CG2-SD 3.57Å; I266-M270 WeakPolarHBondContact O-CB 3.17Å; I266-M270 WeakPolarHBondContact O-CG 3.31Å; I266-M270 PolarHBondContact O-N 3Å |
| 267 | L | 98.6 | Very high | 97.3 | Very high | 91 Ų | 91 | 54 Ų | 54 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 179.9 | -75.8 | 176.6 | 0 | 0 | 0 | 111.7 | I263 G264 M270 T271 | I263-L267 HydrophobicContact CG2-CD1 3.63Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 VanDerWaalsContact O-CG 3.28Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.41Å; G264-L267 PolarHBondContact O-N 3.5Å; L267-M270 PolarHBondContact O-N 3.39Å; L267-T271 WeakPolarHBondContact O-CB 3.42Å; L267-T271 WeakPolarHBondContact O-CG2 3.35Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 PolarHBondContact O-OG1 2.98Å |
| 268 | Y | 98.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 174.4 | 173.2 | -97.5 | 0 | 0 | 0 | 111.6 | F183 A184 D187 G264 G265 I266 M270 T271 I272 G273 | F183-Y268 HydrophobicContact CB-CD1 3.45Å; F183-Y268 VanDerWaalsContact CB-CD1 3.45Å; F183-Y268 HydrophobicContact CB-CD2 4.44Å; F183-Y268 HydrophobicContact CB-CE1 3.78Å; F183-Y268 HydrophobicContact CB-CG 3.81Å; F183-Y268 HydrophobicContact CD2-CD1 4.1Å; F183-Y268 HydrophobicContact CG-CD1 4.3Å; A184-Y268 HydrophobicContact CB-CD2 3.96Å; A184-Y268 HydrophobicContact CB-CE2 3.49Å; A184-Y268 VanDerWaalsContact CB-CE2 3.49Å; D187-Y268 HydrophobicContact CB-CE1 4.46Å; D187-Y268 WeakPolarHBondContact CB-OH 3.35Å; D187-Y268 PolarHBondContact OD2-OH 3.29Å; D187-Y268 VanDerWaalsContact OD2-OH 3.13Å; G264-Y268 WeakPolarHBondContact O-CB 3.37Å; G264-Y268 PolarHBondContact O-N 2.97Å; G265-Y268 PolarHBondContact O-N 3.12Å; I266-Y268 VanDerWaalsContact C-N 3.31Å; I266-Y268 PolarHBondContact O-N 3.12Å; Y268-M270 PolarHBondContact O-N 2.79Å; Y268-T271 PolarHBondContact O-N 3.37Å; Y268-I272 HydrophobicContact CD2-CB 4.16Å; Y268-I272 HydrophobicContact CD2-CD1 4.19Å; Y268-I272 HydrophobicContact CE2-CB 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.15Å; Y268-I272 HydrophobicContact CE2-CG2 3.77Å; Y268-I272 WeakPolarHBondContact O-CA 3.47Å; Y268-I272 PolarHBondContact O-N 3.23Å; Y268-G273 PolarHBondContact O-N 2.95Å |
| 269 | E | 97.4 | Very high | 95 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 179.7 | -68 | -63.3 | 143.6 | 0 | 0 | 110.9 | V101 K103 G265 I266 T271 G273 I274 R278 | V101-E269 HydrophobicContact CB-CG 4.03Å; V101-E269 HydrophobicContact CG1-CG 3.95Å; K103-E269 WeakPolarHBondContact CE-OE1 3.24Å; K103-E269 IonicContact NZ-OE1 3.1Å; K103-E269 PolarHBondContact NZ-OE1 2.77Å; G265-E269 PolarHBondContact O-N 3.48Å; I266-E269 PolarHBondContact O-N 3.11Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 2.96Å; E269-G273 PolarHBondContact O-N 2.58Å; E269-I274 HydrophobicContact CB-CG2 4.26Å; E269-I274 VanDerWaalsContact O-CG1 3.25Å; E269-I274 WeakPolarHBondContact O-CG1 3.22Å; E269-I274 WeakPolarHBondContact O-CG2 3.38Å; E269-I274 PolarHBondContact O-N 2.97Å; E269-R278 IonicContact OE2-CZ 3.86Å; E269-R278 IonicContact OE2-NH1 3.48Å; E269-R278 PolarHBondContact OE2-NH1 3.33Å; E269-R278 IonicContact OE2-NH2 2.75Å; E269-R278 PolarHBondContact OE2-NH2 3.37Å |
| 270 | M | 98 | Very high | 93 | Very high | 118 Ų | 118 | 65.6 Ų | 65.6 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -30.7 | -177.6 | -73.6 | -176.8 | 68.3 | 0 | 0 | 114.3 | I266 L267 Y268 H275 | I266-M270 HydrophobicContact CG2-CG 4.05Å; I266-M270 HydrophobicContact CG2-SD 3.57Å; I266-M270 VanDerWaalsContact CG2-SD 3.57Å; I266-M270 WeakPolarHBondContact O-CB 3.17Å; I266-M270 WeakPolarHBondContact O-CG 3.31Å; I266-M270 PolarHBondContact O-N 3Å; L267-M270 PolarHBondContact O-N 3.39Å; Y268-M270 PolarHBondContact O-N 2.79Å; M270-H275 PolarHBondContact O-CE1 2.91Å |
| 271 | T | 98.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -100.3 | -34.7 | -174.3 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | L267 Y268 E269 H275 | L267-T271 WeakPolarHBondContact O-CB 3.42Å; L267-T271 WeakPolarHBondContact O-CG2 3.35Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 PolarHBondContact O-OG1 2.98Å; Y268-T271 PolarHBondContact O-N 3.37Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 2.96Å; T271-H275 PolarHBondContact O-ND1 3.24Å |
| 272 | I | 97.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 81 Ų | 81 | 41% | 0.41 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -60.1 | -173.6 | -59.4 | 171.2 | 0 | 0 | 0 | 110.3 | Y268 I274 H275 L276 | Y268-I272 HydrophobicContact CD2-CB 4.16Å; Y268-I272 HydrophobicContact CD2-CD1 4.19Å; Y268-I272 HydrophobicContact CE2-CB 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.15Å; Y268-I272 HydrophobicContact CE2-CG2 3.77Å; Y268-I272 WeakPolarHBondContact O-CA 3.47Å; Y268-I272 PolarHBondContact O-N 3.23Å; I272-I274 PolarHBondContact O-N 3.39Å; I272-H275 WeakPolarHBondContact O-CA 3.39Å; I272-H275 WeakPolarHBondContact O-CB 3.34Å; I272-H275 PolarHBondContact O-N 3.38Å; I272-L276 HydrophobicContact CG2-CD1 4.22Å; I272-L276 HydrophobicContact CG2-CD2 4.32Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 PolarHBondContact O-N 3.09Å |
| 273 | G | 95 | Very high | 85.7 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -57.8 | -43.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y268 E269 H275 | Y268-G273 PolarHBondContact O-N 2.95Å; E269-G273 PolarHBondContact O-N 2.58Å; G273-H275 PolarHBondContact O-N 3.41Å |
| 274 | I | 94.1 | Very high | 83.1 | Confident | 94 Ų | 94 | 86.9 Ų | 86.9 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -75 | -13.2 | 178.3 | 72.2 | -173.6 | 0 | 0 | 0 | 113.6 | E269 I272 | E269-I274 HydrophobicContact CB-CG2 4.26Å; E269-I274 VanDerWaalsContact O-CG1 3.25Å; E269-I274 WeakPolarHBondContact O-CG1 3.22Å; E269-I274 WeakPolarHBondContact O-CG2 3.38Å; E269-I274 PolarHBondContact O-N 2.97Å; I272-I274 PolarHBondContact O-N 3.39Å |
| 275 | H | 95.2 | Very high | 80.3 | Confident | 128 Ų | 128 | 93.9 Ų | 93.9 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -98.2 | -5 | -179.5 | -55.8 | 136.4 | 0 | 0 | 0 | 113.1 | M270 T271 I272 G273 | M270-H275 PolarHBondContact O-CE1 2.91Å; T271-H275 PolarHBondContact O-ND1 3.24Å; I272-H275 WeakPolarHBondContact O-CA 3.39Å; I272-H275 WeakPolarHBondContact O-CB 3.34Å; I272-H275 PolarHBondContact O-N 3.38Å; G273-H275 PolarHBondContact O-N 3.41Å |
| 276 | L | 94.1 | Very high | 77.7 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 24% | 0.236 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -75.4 | 148.8 | 172.8 | -63.9 | 174 | 0 | 0 | 0 | 110.3 | D187 N189 I272 R278 | D187-L276 HydrophobicContact CB-CD1 4.44Å; N189-L276 HydrophobicContact CB-CB 3.86Å; N189-L276 HydrophobicContact CB-CD1 4.16Å; I272-L276 HydrophobicContact CG2-CD1 4.22Å; I272-L276 HydrophobicContact CG2-CD2 4.32Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 PolarHBondContact O-N 3.09Å; L276-R278 VanDerWaalsContact C-N 3.32Å; L276-R278 PolarHBondContact O-N 2.82Å |
| 277 | D | 88 | Confident | 74.9 | Confident | 155 Ų | 155 | 103.9 Ų | 103.9 | 83% | 0.829 | 54% | 0.542 | S | S | * | . | trans | -64 | 91.1 | 175.3 | -68 | -31.4 | 0 | 0 | 0 | 110.2 | ||||
| 278 | R | 81.4 | Confident | 72 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 45% | 0.445 | 56% | 0.555 | S | S | . | * | trans | -83.2 | 122 | 173.2 | -72.3 | -178.5 | 143.9 | 145.9 | 5.1 | 108.1 | E269 L276 S280 | E269-R278 IonicContact OE2-CZ 3.86Å; E269-R278 IonicContact OE2-NH1 3.48Å; E269-R278 PolarHBondContact OE2-NH1 3.33Å; E269-R278 IonicContact OE2-NH2 2.75Å; E269-R278 PolarHBondContact OE2-NH2 3.37Å; L276-R278 VanDerWaalsContact C-N 3.32Å; L276-R278 PolarHBondContact O-N 2.82Å; R278-S280 PolarHBondContact O-N 2.91Å | ||
| 279 | K | 68.2 | Low | 69.3 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | trans | -60.8 | 110 | 160.5 | -70.2 | -168.6 | 177.4 | -170.7 | 0 | 107 | D281 | K279-D281 VanDerWaalsContact C-N 3.28Å; K279-D281 PolarHBondContact O-N 3.26Å | ||
| 280 | S | 57 | Low | 66.8 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | trans | -72.4 | 90.6 | 171.7 | 64.1 | 0 | 0 | 0 | 0 | 107.4 | R278 F282 | R278-S280 PolarHBondContact O-N 2.91Å; S280-F282 PolarHBondContact O-N 3.02Å | ||
| 281 | D | 49.8 | Very low | 64.2 | Low | 144 Ų | 144 | 117.8 Ų | 117.8 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | trans | -73.5 | 59.4 | 167.5 | -69.3 | -21.3 | 0 | 0 | 0 | 108.8 | K279 V283 | K279-D281 VanDerWaalsContact C-N 3.28Å; K279-D281 PolarHBondContact O-N 3.26Å; D281-V283 PolarHBondContact O-N 3.28Å | ||
| 282 | F | 47.6 | Very low | 61.5 | Low | 180 Ų | 180 | 121.2 Ų | 121.2 | 79% | 0.789 | 62% | 0.623 | S | S | * | * | trans | -73.5 | 84.2 | 156.9 | -73.6 | -73.9 | 0 | 0 | 0 | 106.2 | S280 V284 | S280-F282 PolarHBondContact O-N 3.02Å; F282-V284 PolarHBondContact O-N 2.78Å | ||
| 283 | V | 45.3 | Very low | 58.7 | Low | 120 Ų | 120 | 129.5 Ų | 129.5 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | trans | -67.1 | 98.2 | 152.7 | -178.1 | 0 | 0 | 0 | 0 | 104.4 | D281 D285 | D281-V283 PolarHBondContact O-N 3.28Å; V283-D285 PolarHBondContact O-N 3.27Å; V283-D285 VanDerWaalsContact O-N 3.12Å | ||
| 284 | V | 44.3 | Very low | 56.1 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | trans | -58.8 | 115.5 | 162.4 | -179 | 0 | 0 | 0 | 0 | 104.5 | F282 V286 | F282-V284 PolarHBondContact O-N 2.78Å; V284-V286 PolarHBondContact O-N 3.18Å | ||
| 285 | D | 41.8 | Very low | 53.4 | Low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | -57.2 | 95.1 | 165.7 | -78.7 | -39 | 0 | 0 | 0 | 105.9 | V283 D287 | V283-D285 PolarHBondContact O-N 3.27Å; V283-D285 VanDerWaalsContact O-N 3.12Å; D285-D287 PolarHBondContact O-N 2.86Å | ||
| 286 | V | 43.2 | Very low | 50.5 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | trans | -69.6 | 113.2 | 167.2 | -175.8 | 0 | 0 | 0 | 0 | 103.9 | V284 Y288 | V284-V286 PolarHBondContact O-N 3.18Å; V286-Y288 PolarHBondContact O-N 3.2Å | ||
| 287 | D | 39.5 | Very low | 47.6 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -41 | 115.3 | 174.1 | -79.8 | -42.7 | 0 | 0 | 0 | 108.8 | D285 D289 | D285-D287 PolarHBondContact O-N 2.86Å; D287-D289 VanDerWaalsContact C-N 3.35Å; D287-D289 PolarHBondContact O-N 3.03Å | ||
| 288 | Y | 39 | Very low | 45.1 | Very low | 193 Ų | 193 | 146 Ų | 146 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 94.5 | -178.3 | -162.9 | -95.9 | 0 | 0 | 0 | 107.4 | V286 D290 | V286-Y288 PolarHBondContact O-N 3.2Å; Y288-D290 VanDerWaalsContact CD1-OD1 3.28Å; Y288-D290 WeakPolarHBondContact CD1-OD1 3.48Å; Y288-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y288-D290 WeakPolarHBondContact CE1-OD1 3.3Å; Y288-D290 PolarHBondContact O-N 3.14Å | ||
| 289 | D | 40.4 | Very low | 42.8 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -71.5 | 107.5 | 168.8 | -165.4 | -0.1 | 0 | 0 | 0 | 107.9 | D287 S291 | D287-D289 VanDerWaalsContact C-N 3.35Å; D287-D289 PolarHBondContact O-N 3.03Å; D289-S291 PolarHBondContact O-N 3.16Å | ||
| 290 | D | 45.7 | Very low | 41.4 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 11.4 | -172.4 | -95.9 | -31.9 | 0 | 0 | 0 | 114.6 | Y288 | Y288-D290 VanDerWaalsContact CD1-OD1 3.28Å; Y288-D290 WeakPolarHBondContact CD1-OD1 3.48Å; Y288-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y288-D290 WeakPolarHBondContact CE1-OD1 3.3Å; Y288-D290 PolarHBondContact O-N 3.14Å |
| 291 | S | 44.5 | Very low | 40.1 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 51% | 0.51 | 77% | 0.769 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | -6.9 | -169.9 | 70.4 | 0 | 0 | 0 | 0 | 115.2 | D289 | D289-S291 PolarHBondContact O-N 3.16Š|
| 292 | H | 40.9 | Very low | 39.4 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | trans | -124.7 | 82.8 | -179.7 | -69.5 | -38.6 | 0 | 0 | 0 | 114.1 | D294 | H292-D294 PolarHBondContact O-N 3.19Š| ||
| 293 | R | 38.3 | Very low | 38.6 | Very low | 253 Ų | 253 | 143.1 Ų | 143.1 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 52.7 | 163.6 | -70.4 | -173.7 | 175.7 | -175.6 | -0.1 | 113 | ||||
| 294 | D | 39.9 | Very low | 38.5 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -129.3 | 110.1 | 165.4 | -149.5 | 14.4 | 0 | 0 | 0 | 108.5 | H292 K296 | H292-D294 PolarHBondContact O-N 3.19Å; D294-K296 PolarHBondContact O-N 3.17Å |
| 295 | G | 37.4 | Very low | 38.2 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -68.5 | 46 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | K297 | G295-K297 PolarHBondContact O-N 3.3Š| ||
| 296 | K | 33.7 | Very low | 38 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -84.3 | 104.9 | 171.5 | -68.9 | -174.8 | -178.5 | 175.6 | 0 | 109.1 | D294 L298 | D294-K296 PolarHBondContact O-N 3.17Å; K296-L298 PolarHBondContact O-N 3.34Å | ||
| 297 | K | 33.1 | Very low | 37.8 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -54.2 | 110.5 | 165 | -74.2 | -179.1 | 175 | -178.8 | 0 | 108.4 | G295 V299 | G295-K297 PolarHBondContact O-N 3.3Å; K297-V299 PolarHBondContact O-N 3.47Å | ||
| 298 | L | 36.3 | Very low | 37.6 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | -69.1 | 114.3 | 168.9 | -77.7 | 165.5 | 0 | 0 | 0 | 107.8 | K296 A300 | K296-L298 PolarHBondContact O-N 3.34Å; L298-A300 PolarHBondContact O-N 2.91Å | ||
| 299 | V | 32.8 | Very low | 37.6 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 110.7 | 176.2 | -179 | 0 | 0 | 0 | 0 | 107 | K297 Y301 | K297-V299 PolarHBondContact O-N 3.47Å; V299-Y301 PolarHBondContact O-N 2.78Å | ||
| 300 | A | 38.1 | Very low | 37.4 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -68.5 | 118.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L298 S302 | L298-A300 PolarHBondContact O-N 2.91Å; A300-S302 PolarHBondContact O-N 3.25Å | ||
| 301 | Y | 31 | Very low | 36.8 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 116.6 | 173.3 | -76.7 | -89.6 | 0 | 0 | 0 | 109.3 | V299 S303 | V299-Y301 PolarHBondContact O-N 2.78Å; Y301-S303 PolarHBondContact O-N 2.76Å | ||
| 302 | S | 34.9 | Very low | 36.2 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 75% | 0.748 | 85% | 0.846 | S | S | * | * | trans | -72.5 | 115.6 | 160.8 | 58.1 | 0 | 0 | 0 | 0 | 108.2 | A300 | A300-S302 PolarHBondContact O-N 3.25Š| ||
| 303 | S | 31 | Very low | 35.8 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 76% | 0.762 | 86% | 0.855 | S | S | * | * | trans | -73.2 | 146.9 | 163.8 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | Y301 | Y301-S303 PolarHBondContact O-N 2.76Š| ||
| 304 | P | 43.1 | Very low | 35.6 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 100% | 1.318 | 85% | 0.846 | S | S | * | * | trans | -73 | 0 | -152.7 | 30.3 | -35.5 | 0 | 0 | 0 | 115.1 |
Retrieved 304 of 304 residues in 1109.7 ms
(Link to these results)