| 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 | 52.9 | Low | 77.9 | Confident | 198 Ų | 198 | 102.8 Ų | 102.8 | 98% | 0.975 | 55% | 0.547 | S | S | * | . | 0 | 139.8 | 0 | -67.8 | 171.3 | 91.5 | 0 | 0 | 110 | R3 V6 | M1-R3 PolarHBondContact O-N 3.39Å; M1-V6 HydrophobicContact CB-CG2 4.05Å | |||
| 2 | R | 63.8 | Low | 79.2 | Confident | 212 Ų | 212 | 102.8 Ų | 102.8 | 80% | 0.8 | 55% | 0.553 | S | S | * | * | trans | -64.2 | 129.4 | 176.9 | -70.1 | -178.7 | 175.3 | 178.3 | -1.1 | 109 | P4 S5 V6 | R2-P4 VanDerWaalsContact C-N 3.32Å; R2-P4 HydrophobicContact CB-CG 4.32Å; R2-P4 VanDerWaalsContact O-N 3.14Å; R2-S5 WeakPolarHBondContact O-CB 3.25Å; R2-S5 PolarHBondContact O-N 3.48Å; R2-V6 PolarHBondContact O-N 3.41Å | ||
| 3 | R | 64.4 | Low | 80.5 | Confident | 141 Ų | 141 | 103.3 Ų | 103.3 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -46.2 | -36.9 | -177.8 | -67.1 | -179.7 | 177.4 | 171.3 | 0.6 | 116.3 | M1 V6 R7 | M1-R3 PolarHBondContact O-N 3.39Å; R3-V6 PolarHBondContact O-N 3.35Å; R3-R7 PolarHBondContact O-N 3.24Å |
| 4 | P | 68.1 | Low | 81.6 | Confident | 92 Ų | 92 | 101.8 Ų | 101.8 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -36.3 | 173.3 | 19.8 | -32 | 0 | 0 | 0 | 113.7 | R2 V6 R7 A8 | R2-P4 VanDerWaalsContact C-N 3.32Å; R2-P4 HydrophobicContact CB-CG 4.32Å; R2-P4 VanDerWaalsContact O-N 3.14Å; P4-V6 VanDerWaalsContact C-N 3.3Å; P4-V6 PolarHBondContact O-N 3.13Å; P4-R7 PolarHBondContact O-N 3.27Å; P4-A8 PolarHBondContact O-N 3.02Å; P4-A8 VanDerWaalsContact O-N 3.16Å |
| 5 | S | 79.3 | Confident | 82.5 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -31.5 | 176.2 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | R2 A9 | R2-S5 WeakPolarHBondContact O-CB 3.25Å; R2-S5 PolarHBondContact O-N 3.48Å; S5-A9 VanDerWaalsContact O-CB 3.3Å; S5-A9 WeakPolarHBondContact O-CB 3.39Å; S5-A9 PolarHBondContact O-N 2.9Å |
| 6 | V | 86.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 47% | 0.473 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70 | -38.4 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | M1 R2 R3 P4 G10 | M1-V6 HydrophobicContact CB-CG2 4.05Å; R2-V6 PolarHBondContact O-N 3.41Å; R3-V6 PolarHBondContact O-N 3.35Å; P4-V6 VanDerWaalsContact C-N 3.3Å; P4-V6 PolarHBondContact O-N 3.13Å; V6-G10 PolarHBondContact O-N 3.04Å |
| 7 | R | 83.9 | Confident | 84.2 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 38% | 0.381 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 176.1 | -69.7 | 175.1 | 177.6 | -177.1 | -15 | 112.3 | R3 P4 G10 L11 W250 | R3-R7 PolarHBondContact O-N 3.24Å; P4-R7 PolarHBondContact O-N 3.27Å; R7-G10 PolarHBondContact O-N 3.34Å; R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.69Å; R7-W250 VanDerWaalsContact CZ-CD1 3.47Å; R7-W250 VanDerWaalsContact CZ-CG 3.43Å; R7-W250 VanDerWaalsContact NH2-CB 3.33Å; R7-W250 VanDerWaalsContact NH2-CE3 3.3Å |
| 8 | A | 86.3 | Confident | 84.9 | Confident | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.7 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P4 G10 L11 V12 | P4-A8 PolarHBondContact O-N 3.02Å; P4-A8 VanDerWaalsContact O-N 3.16Å; A8-G10 VanDerWaalsContact C-N 3.32Å; A8-G10 PolarHBondContact O-N 3.45Å; A8-L11 PolarHBondContact O-N 2.99Å; A8-V12 WeakPolarHBondContact O-CG2 3.34Å; A8-V12 PolarHBondContact O-N 2.84Å |
| 9 | A | 89.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 V12 L13 | S5-A9 VanDerWaalsContact O-CB 3.3Å; S5-A9 WeakPolarHBondContact O-CB 3.39Å; S5-A9 PolarHBondContact O-N 2.9Å; A9-V12 PolarHBondContact O-N 3.45Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.46Å |
| 10 | G | 91.8 | Very high | 86.2 | Confident | 38 Ų | 38 | 104.3 Ų | 104.3 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | V6 R7 A8 C14 | V6-G10 PolarHBondContact O-N 3.04Å; R7-G10 PolarHBondContact O-N 3.34Å; A8-G10 VanDerWaalsContact C-N 3.32Å; A8-G10 PolarHBondContact O-N 3.45Å; G10-C14 VanDerWaalsContact O-CB 3.28Å; G10-C14 WeakPolarHBondContact O-CB 3.32Å; G10-C14 PolarHBondContact O-N 2.91Å |
| 11 | L | 90.2 | Very high | 86.8 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -44.9 | 174.7 | -74 | 172.1 | 0 | 0 | 0 | 111.3 | R7 A8 L13 C14 T15 | R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.69Å; A8-L11 PolarHBondContact O-N 2.99Å; L11-L13 PolarHBondContact O-N 2.95Å; L11-C14 PolarHBondContact O-N 3.47Å; L11-T15 PolarHBondContact O-N 3.49Å; L11-T15 PolarHBondContact O-OG1 2.83Å; L11-T15 VanDerWaalsContact O-OG1 3.08Å |
| 12 | V | 93.7 | Very high | 88.9 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | A8 A9 C14 T15 F16 | A8-V12 WeakPolarHBondContact O-CG2 3.34Å; A8-V12 PolarHBondContact O-N 2.84Å; A9-V12 PolarHBondContact O-N 3.45Å; V12-C14 PolarHBondContact O-N 3.18Å; V12-T15 PolarHBondContact O-N 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.32Å; V12-F16 PolarHBondContact O-N 3.32Å |
| 13 | L | 95.8 | Very high | 90.5 | Very high | 109 Ų | 109 | 88.2 Ų | 88.2 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 177.4 | -179.2 | 62 | 0 | 0 | 0 | 111.5 | A9 L11 T15 F16 C17 | A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.46Å; L11-L13 PolarHBondContact O-N 2.95Å; L13-T15 PolarHBondContact O-N 2.95Å; L13-F16 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-N 3.22Å; L13-C17 PolarHBondContact O-SG 3.24Å |
| 14 | C | 95.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 84.5 Ų | 84.5 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -46 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | G10 L11 V12 F16 C17 Y18 | G10-C14 VanDerWaalsContact O-CB 3.28Å; G10-C14 WeakPolarHBondContact O-CB 3.32Å; G10-C14 PolarHBondContact O-N 2.91Å; L11-C14 PolarHBondContact O-N 3.47Å; V12-C14 PolarHBondContact O-N 3.18Å; C14-F16 VanDerWaalsContact C-N 3.34Å; C14-F16 PolarHBondContact O-N 3.46Å; C14-C17 PolarHBondContact O-N 2.97Å; C14-Y18 WeakPolarHBondContact O-CB 3.49Å; C14-Y18 PolarHBondContact O-N 2.94Å |
| 15 | T | 94.9 | Very high | 93.5 | Very high | 85 Ų | 85 | 83.7 Ų | 83.7 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | L11 V12 L13 Y18 L19 | L11-T15 PolarHBondContact O-N 3.49Å; L11-T15 PolarHBondContact O-OG1 2.83Å; L11-T15 VanDerWaalsContact O-OG1 3.08Å; V12-T15 PolarHBondContact O-N 3.31Å; L13-T15 PolarHBondContact O-N 2.95Å; T15-Y18 WeakPolarHBondContact O-CB 3.41Å; T15-Y18 PolarHBondContact O-N 3.39Å; T15-L19 HydrophobicContact CG2-CD1 4.49Å; T15-L19 WeakPolarHBondContact O-CG 3.3Å; T15-L19 PolarHBondContact O-N 2.96Å |
| 16 | F | 97.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 87.2 Ų | 87.2 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177 | -175.4 | -103 | 0 | 0 | 0 | 112 | V12 L13 C14 Y18 L19 L20 | V12-F16 WeakPolarHBondContact O-CB 3.32Å; V12-F16 PolarHBondContact O-N 3.32Å; L13-F16 PolarHBondContact O-N 2.94Å; C14-F16 VanDerWaalsContact C-N 3.34Å; C14-F16 PolarHBondContact O-N 3.46Å; F16-Y18 VanDerWaalsContact C-N 3.31Å; F16-Y18 PolarHBondContact O-N 3.4Å; F16-L19 PolarHBondContact O-N 3.19Å; F16-L20 HydrophobicContact CD1-CD1 3.94Å; F16-L20 HydrophobicContact CD1-CG 4.38Å; F16-L20 HydrophobicContact CE1-CD1 3.49Å; F16-L20 VanDerWaalsContact CE1-CD1 3.49Å; F16-L20 HydrophobicContact CE1-CD2 4.48Å; F16-L20 HydrophobicContact CE1-CG 4.04Å; F16-L20 HydrophobicContact CZ-CD1 4.1Å; F16-L20 HydrophobicContact CZ-CD2 4.27Å; F16-L20 HydrophobicContact CZ-CG 4.26Å; F16-L20 PolarHBondContact O-N 2.71Å |
| 17 | C | 97.7 | Very high | 94.9 | Very high | 62 Ų | 62 | 88.4 Ų | 88.4 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 173.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | L13 C14 L19 L20 V21 | L13-C17 PolarHBondContact O-N 3.22Å; L13-C17 PolarHBondContact O-SG 3.24Å; C14-C17 PolarHBondContact O-N 2.97Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.39Å; C17-L20 PolarHBondContact O-N 2.92Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.01Å |
| 18 | Y | 96.9 | Very high | 95.4 | Very high | 186 Ų | 186 | 87.4 Ų | 87.4 | 73% | 0.729 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 176.4 | -173.9 | -98.4 | 0 | 0 | 0 | 112.1 | C14 T15 F16 V21 G22 | C14-Y18 WeakPolarHBondContact O-CB 3.49Å; C14-Y18 PolarHBondContact O-N 2.94Å; T15-Y18 WeakPolarHBondContact O-CB 3.41Å; T15-Y18 PolarHBondContact O-N 3.39Å; F16-Y18 VanDerWaalsContact C-N 3.31Å; F16-Y18 PolarHBondContact O-N 3.4Å; Y18-V21 PolarHBondContact O-N 3.28Å; Y18-G22 PolarHBondContact O-N 3.27Å |
| 19 | L | 97.7 | Very high | 95.9 | Very high | 111 Ų | 111 | 90 Ų | 90 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 174.5 | -71.6 | 171.8 | 0 | 0 | 0 | 112.2 | T15 F16 C17 G22 A23 | T15-L19 HydrophobicContact CG2-CD1 4.49Å; T15-L19 WeakPolarHBondContact O-CG 3.3Å; T15-L19 PolarHBondContact O-N 2.96Å; F16-L19 PolarHBondContact O-N 3.19Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.39Å; L19-G22 PolarHBondContact O-N 3.37Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.29Å |
| 20 | L | 97.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -71.3 | 178.5 | 0 | 0 | 0 | 112.2 | F16 C17 A23 A24 | F16-L20 HydrophobicContact CD1-CD1 3.94Å; F16-L20 HydrophobicContact CD1-CG 4.38Å; F16-L20 HydrophobicContact CE1-CD1 3.49Å; F16-L20 VanDerWaalsContact CE1-CD1 3.49Å; F16-L20 HydrophobicContact CE1-CD2 4.48Å; F16-L20 HydrophobicContact CE1-CG 4.04Å; F16-L20 HydrophobicContact CZ-CD1 4.1Å; F16-L20 HydrophobicContact CZ-CD2 4.27Å; F16-L20 HydrophobicContact CZ-CG 4.26Å; F16-L20 PolarHBondContact O-N 2.71Å; C17-L20 PolarHBondContact O-N 2.92Å; L20-A23 PolarHBondContact O-N 3.46Å; L20-A24 PolarHBondContact O-N 2.98Å |
| 21 | V | 98.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 93 Ų | 93 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | C17 Y18 A23 A24 V25 | C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.01Å; Y18-V21 PolarHBondContact O-N 3.28Å; V21-A23 PolarHBondContact O-N 3.49Å; V21-A24 PolarHBondContact O-N 3.46Å; V21-V25 HydrophobicContact CG1-CG2 4.47Å; V21-V25 WeakPolarHBondContact O-CG2 3.15Å; V21-V25 PolarHBondContact O-N 3.41Å |
| 22 | G | 97.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 96.4 Ų | 96.4 | 23% | 0.227 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y18 L19 A24 V25 F26 | Y18-G22 PolarHBondContact O-N 3.27Å; L19-G22 PolarHBondContact O-N 3.37Å; G22-A24 PolarHBondContact O-N 2.92Å; G22-V25 PolarHBondContact O-N 3.36Å; G22-F26 WeakPolarHBondContact O-CD2 3.34Å; G22-F26 PolarHBondContact O-N 3.45Å |
| 23 | A | 97.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 L20 V21 V25 F26 D27 | L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.29Å; L20-A23 PolarHBondContact O-N 3.46Å; V21-A23 PolarHBondContact O-N 3.49Å; A23-V25 PolarHBondContact O-N 2.97Å; A23-F26 PolarHBondContact O-N 3.32Å; A23-D27 WeakPolarHBondContact O-CB 3.38Å; A23-D27 PolarHBondContact O-N 2.95Å |
| 24 | A | 97.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 95.6 Ų | 95.6 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 V21 G22 A28 | L20-A24 PolarHBondContact O-N 2.98Å; V21-A24 PolarHBondContact O-N 3.46Å; G22-A24 PolarHBondContact O-N 2.92Å; A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 3.3Å; A24-A28 VanDerWaalsContact O-N 3.08Å |
| 25 | V | 97.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | V21 G22 A23 A28 L29 | V21-V25 HydrophobicContact CG1-CG2 4.47Å; V21-V25 WeakPolarHBondContact O-CG2 3.15Å; V21-V25 PolarHBondContact O-N 3.41Å; G22-V25 PolarHBondContact O-N 3.36Å; A23-V25 PolarHBondContact O-N 2.97Å; V25-A28 PolarHBondContact O-N 2.85Å; V25-L29 HydrophobicContact CG1-CD1 3.73Å; V25-L29 HydrophobicContact CG1-CG 4.37Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.27Å; V25-L29 PolarHBondContact O-N 3.02Å |
| 26 | F | 97.1 | Very high | 95.8 | Very high | 139 Ų | 139 | 91.5 Ų | 91.5 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 178.2 | -75.1 | -57 | 0 | 0 | 0 | 112.4 | G22 A23 L29 E30 | G22-F26 WeakPolarHBondContact O-CD2 3.34Å; G22-F26 PolarHBondContact O-N 3.45Å; A23-F26 PolarHBondContact O-N 3.32Å; F26-L29 PolarHBondContact O-N 3.49Å; F26-E30 WeakPolarHBondContact O-CB 3.39Å; F26-E30 PolarHBondContact O-N 2.98Å |
| 27 | D | 97.3 | Very high | 95.5 | Very high | 103 Ų | 103 | 92.9 Ų | 92.9 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -47.3 | 173.5 | -178.3 | 52.6 | 0 | 0 | 0 | 110.9 | A23 L29 S31 | A23-D27 WeakPolarHBondContact O-CB 3.38Å; A23-D27 PolarHBondContact O-N 2.95Å; D27-L29 VanDerWaalsContact C-N 3.28Å; D27-L29 PolarHBondContact O-N 3.19Å; D27-S31 WeakPolarHBondContact O-CB 2.94Å; D27-S31 PolarHBondContact O-N 3.05Å; D27-S31 VanDerWaalsContact OD1-CB 3.27Å; D27-S31 WeakPolarHBondContact OD1-CB 3.23Å; D27-S31 PolarHBondContact OD1-OG 3.3Å |
| 28 | A | 96.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 95.8 Ų | 95.8 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A24 V25 | A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 3.3Å; A24-A28 VanDerWaalsContact O-N 3.08Å; V25-A28 PolarHBondContact O-N 2.85Å |
| 29 | L | 95.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -89 | -37.2 | -177.4 | -67.8 | 174.6 | 0 | 0 | 0 | 113.4 | V25 F26 D27 | V25-L29 HydrophobicContact CG1-CD1 3.73Å; V25-L29 HydrophobicContact CG1-CG 4.37Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.27Å; V25-L29 PolarHBondContact O-N 3.02Å; F26-L29 PolarHBondContact O-N 3.49Å; D27-L29 VanDerWaalsContact C-N 3.28Å; D27-L29 PolarHBondContact O-N 3.19Å |
| 30 | E | 95.3 | Very high | 94.7 | Very high | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -108 | -25.6 | -168 | -62.9 | -64.6 | 157.4 | 0 | 0 | 113.8 | F26 E32 V33 E34 | F26-E30 WeakPolarHBondContact O-CB 3.39Å; F26-E30 PolarHBondContact O-N 2.98Å; E30-E32 PolarHBondContact O-N 3.46Å; E30-V33 PolarHBondContact O-N 3.36Å; E30-E34 WeakPolarHBondContact O-CB 3.27Å; E30-E34 PolarHBondContact O-N 2.89Å |
| 31 | S | 93.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 93.7 Ų | 93.7 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -169.6 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | D27 S35 | D27-S31 WeakPolarHBondContact O-CB 2.94Å; D27-S31 PolarHBondContact O-N 3.05Å; D27-S31 VanDerWaalsContact OD1-CB 3.27Å; D27-S31 WeakPolarHBondContact OD1-CB 3.23Å; D27-S31 PolarHBondContact OD1-OG 3.3Å; S31-S35 VanDerWaalsContact O-CB 3.27Å; S31-S35 WeakPolarHBondContact O-CB 3.29Å; S31-S35 PolarHBondContact O-N 3.33Å; S31-S35 PolarHBondContact O-OG 3.17Å |
| 32 | E | 92.6 | Very high | 93.7 | Very high | 167 Ų | 167 | 93.5 Ų | 93.5 | 78% | 0.78 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -41.4 | 177.4 | -67.4 | -159.7 | 157.4 | 0 | 0 | 112.1 | E30 S35 G36 | E30-E32 PolarHBondContact O-N 3.46Å; E32-S35 PolarHBondContact O-N 3.29Å; E32-G36 PolarHBondContact O-N 3.46Å |
| 33 | V | 92.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 99 Ų | 99 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | -179.6 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | E30 G36 R37 | E30-V33 PolarHBondContact O-N 3.36Å; V33-G36 PolarHBondContact O-N 2.98Å; V33-R37 WeakPolarHBondContact O-CB 3.46Å; V33-R37 PolarHBondContact O-N 2.99Å |
| 34 | E | 91.6 | Very high | 93 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 176.5 | -179.6 | 163.7 | -134.2 | 0 | 0 | 111.5 | E30 G36 R37 Q38 | E30-E34 WeakPolarHBondContact O-CB 3.27Å; E30-E34 PolarHBondContact O-N 2.89Å; E34-G36 VanDerWaalsContact C-N 3.27Å; E34-G36 PolarHBondContact O-N 3.43Å; E34-R37 PolarHBondContact O-N 3.27Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E34-R37 IonicContact OE1-NH2 3.97Å; E34-Q38 WeakPolarHBondContact O-CB 3.28Å; E34-Q38 PolarHBondContact O-N 3.44Å |
| 35 | S | 91.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 104 Ų | 104 | 34% | 0.336 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 177.2 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | S31 E32 R39 | S31-S35 VanDerWaalsContact O-CB 3.27Å; S31-S35 WeakPolarHBondContact O-CB 3.29Å; S31-S35 PolarHBondContact O-N 3.33Å; S31-S35 PolarHBondContact O-OG 3.17Å; E32-S35 PolarHBondContact O-N 3.29Å; S35-R39 WeakPolarHBondContact O-CB 3.45Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.39Å; S35-R39 PolarHBondContact O-N 3.34Å; S35-R39 VanDerWaalsContact O-N 3.17Å; S35-R39 PolarHBondContact O-NE 3.18Å |
| 36 | G | 92 | Very high | 91.7 | Very high | 34 Ų | 34 | 101.8 Ų | 101.8 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E32 V33 E34 Q38 R39 L40 | E32-G36 PolarHBondContact O-N 3.46Å; V33-G36 PolarHBondContact O-N 2.98Å; E34-G36 VanDerWaalsContact C-N 3.27Å; E34-G36 PolarHBondContact O-N 3.43Å; G36-Q38 PolarHBondContact O-N 2.81Å; G36-R39 PolarHBondContact O-N 2.85Å; G36-L40 PolarHBondContact O-N 3.08Å |
| 37 | R | 91.1 | Very high | 91.3 | Very high | 147 Ų | 147 | 97.4 Ų | 97.4 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 178.4 | -173.7 | 178.5 | 66.1 | 116 | 1.4 | 111.8 | V33 E34 L40 L41 | V33-R37 WeakPolarHBondContact O-CB 3.46Å; V33-R37 PolarHBondContact O-N 2.99Å; E34-R37 PolarHBondContact O-N 3.27Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E34-R37 IonicContact OE1-NH2 3.97Å; R37-L40 PolarHBondContact O-N 3.18Å; R37-L41 HydrophobicContact CG-CD1 4.19Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.46Å; R37-L41 PolarHBondContact O-N 2.85Å |
| 38 | Q | 90.4 | Very high | 90.8 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 178.7 | -171.6 | 171.7 | -8.3 | 0 | 0 | 111.6 | E34 G36 L40 L41 V42 | E34-Q38 WeakPolarHBondContact O-CB 3.28Å; E34-Q38 PolarHBondContact O-N 3.44Å; G36-Q38 PolarHBondContact O-N 2.81Å; Q38-L40 VanDerWaalsContact C-N 3.33Å; Q38-L40 PolarHBondContact O-N 3.43Å; Q38-L41 PolarHBondContact O-N 3.38Å; Q38-V42 WeakPolarHBondContact O-CG2 3.21Å; Q38-V42 PolarHBondContact O-N 3.32Å |
| 39 | R | 92.4 | Very high | 90.1 | Very high | 176 Ų | 176 | 96.9 Ų | 96.9 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 173.2 | -77.3 | -178.8 | -82.3 | -156.6 | 0.5 | 111.7 | S35 G36 V42 Q43 | S35-R39 WeakPolarHBondContact O-CB 3.45Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.39Å; S35-R39 PolarHBondContact O-N 3.34Å; S35-R39 VanDerWaalsContact O-N 3.17Å; S35-R39 PolarHBondContact O-NE 3.18Å; G36-R39 PolarHBondContact O-N 2.85Å; R39-V42 PolarHBondContact O-N 3.39Å; R39-Q43 WeakPolarHBondContact O-CB 3.46Å; R39-Q43 PolarHBondContact O-N 2.89Å |
| 40 | L | 92.3 | Very high | 89.6 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.9 | -176.3 | 66.7 | 0 | 0 | 0 | 112.4 | G36 R37 Q38 Q43 K44 | G36-L40 PolarHBondContact O-N 3.08Å; R37-L40 PolarHBondContact O-N 3.18Å; Q38-L40 VanDerWaalsContact C-N 3.33Å; Q38-L40 PolarHBondContact O-N 3.43Å; L40-Q43 PolarHBondContact O-N 3.17Å; L40-K44 HydrophobicContact CG-CD 4.49Å; L40-K44 WeakPolarHBondContact O-CB 3.41Å; L40-K44 WeakPolarHBondContact O-CG 3.27Å; L40-K44 PolarHBondContact O-N 3.4Å |
| 41 | L | 87.5 | Confident | 89.4 | Confident | 92 Ų | 92 | 104.4 Ų | 104.4 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.6 | -75.1 | 171.7 | 0 | 0 | 0 | 111.4 | R37 Q38 Q43 K44 R45 | R37-L41 HydrophobicContact CG-CD1 4.19Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.46Å; R37-L41 PolarHBondContact O-N 2.85Å; Q38-L41 PolarHBondContact O-N 3.38Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.4Å; L41-K44 PolarHBondContact O-N 2.9Å; L41-R45 WeakPolarHBondContact O-CB 3.48Å; L41-R45 PolarHBondContact O-N 2.88Å |
| 42 | V | 87.8 | Confident | 88.9 | Confident | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.8 | Q38 R39 G46 | Q38-V42 WeakPolarHBondContact O-CG2 3.21Å; Q38-V42 PolarHBondContact O-N 3.32Å; R39-V42 PolarHBondContact O-N 3.39Å; V42-G46 PolarHBondContact O-N 3.25Å |
| 43 | Q | 91.4 | Very high | 88.6 | Confident | 138 Ų | 138 | 103.1 Ų | 103.1 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -47.6 | 177.2 | -169.7 | -176.1 | 14.2 | 0 | 0 | 112.2 | R39 L40 L41 G46 A47 | R39-Q43 WeakPolarHBondContact O-CB 3.46Å; R39-Q43 PolarHBondContact O-N 2.89Å; L40-Q43 PolarHBondContact O-N 3.17Å; L41-Q43 VanDerWaalsContact C-N 3.31Å; L41-Q43 PolarHBondContact O-N 3.4Å; Q43-G46 PolarHBondContact O-N 3.08Å; Q43-A47 PolarHBondContact O-N 3.26Å |
| 44 | K | 88.2 | Confident | 88.1 | Confident | 124 Ų | 124 | 102.2 Ų | 102.2 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.3 | -77.8 | -171.7 | 176.7 | -176.2 | 0 | 111.6 | L40 L41 G46 A47 L48 | L40-K44 HydrophobicContact CG-CD 4.49Å; L40-K44 WeakPolarHBondContact O-CB 3.41Å; L40-K44 WeakPolarHBondContact O-CG 3.27Å; L40-K44 PolarHBondContact O-N 3.4Å; L41-K44 PolarHBondContact O-N 2.9Å; K44-G46 VanDerWaalsContact C-N 3.34Å; K44-G46 PolarHBondContact O-N 3.36Å; K44-A47 PolarHBondContact O-N 2.9Å; K44-L48 PolarHBondContact O-N 2.9Å |
| 45 | R | 83.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 175.1 | -176 | -177.1 | -74.6 | 173.5 | -6.3 | 110.9 | L41 A47 L48 R49 Y59 E63 | L41-R45 WeakPolarHBondContact O-CB 3.48Å; L41-R45 PolarHBondContact O-N 2.88Å; R45-A47 PolarHBondContact O-N 3.42Å; R45-L48 PolarHBondContact O-N 3.28Å; R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.47Å; R45-Y59 HydrophobicContact CG-CD1 4.15Å; R45-Y59 HydrophobicContact CG-CE1 3.79Å; R45-Y59 HydrophobicContact CG-CE2 4.37Å; R45-E63 IonicContact CZ-OE1 3.5Å; R45-E63 IonicContact CZ-OE2 3.97Å; R45-E63 IonicContact NE-OE1 3.6Å; R45-E63 IonicContact NH2-OE1 2.71Å; R45-E63 PolarHBondContact NH2-OE1 2.93Å; R45-E63 IonicContact NH2-OE2 3.19Å; R45-E63 PolarHBondContact NH2-OE2 3.16Å |
| 46 | G | 85.3 | Confident | 87 | Confident | 27 Ų | 27 | 100 Ų | 100 | 28% | 0.278 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V42 Q43 K44 R50 | V42-G46 PolarHBondContact O-N 3.25Å; Q43-G46 PolarHBondContact O-N 3.08Å; K44-G46 VanDerWaalsContact C-N 3.34Å; K44-G46 PolarHBondContact O-N 3.36Å; G46-R50 WeakPolarHBondContact O-CG 3.36Å; G46-R50 PolarHBondContact O-N 3.31Å; G46-R50 PolarHBondContact O-NE 3.49Å |
| 47 | A | 88.3 | Confident | 86.5 | Confident | 47 Ų | 47 | 105.3 Ų | 105.3 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q43 K44 R45 R50 K51 | Q43-A47 PolarHBondContact O-N 3.26Å; K44-A47 PolarHBondContact O-N 2.9Å; R45-A47 PolarHBondContact O-N 3.42Å; A47-R50 PolarHBondContact O-N 3.35Å; A47-K51 VanDerWaalsContact O-CB 3.32Å; A47-K51 WeakPolarHBondContact O-CB 3.37Å; A47-K51 PolarHBondContact O-N 3.02Å |
| 48 | L | 86.4 | Confident | 86 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 37% | 0.366 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.8 | -97.5 | 128.1 | 0 | 0 | 0 | 111.9 | K44 R45 R50 K51 F52 Y59 | K44-L48 PolarHBondContact O-N 2.9Å; R45-L48 PolarHBondContact O-N 3.28Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.23Å; L48-K51 PolarHBondContact O-N 3.5Å; L48-F52 HydrophobicContact CD2-CD2 3.97Å; L48-F52 HydrophobicContact CD2-CE2 3.93Å; L48-F52 HydrophobicContact CG-CE2 4.48Å; L48-F52 WeakPolarHBondContact O-CD2 3.25Å; L48-F52 PolarHBondContact O-N 3.04Å; L48-Y59 HydrophobicContact CB-CE2 4.23Å |
| 49 | R | 83.3 | Confident | 85.2 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -44.2 | 177.4 | -75.4 | -178.2 | 67.9 | -159.7 | -0.8 | 112.2 | R45 G53 F54 Y59 | R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.47Å; R49-G53 VanDerWaalsContact O-CA 3.32Å; R49-G53 WeakPolarHBondContact O-CA 3.37Å; R49-G53 PolarHBondContact O-N 3.38Å; R49-F54 HydrophobicContact CG-CB 4.41Å; R49-F54 PolarHBondContact NE-O 3.28Å; R49-F54 PolarHBondContact O-N 3.01Å; R49-Y59 HydrophobicContact CG-CD2 4.02Å; R49-Y59 HydrophobicContact CG-CE2 4.48Å |
| 50 | R | 85.3 | Confident | 84.6 | Confident | 213 Ų | 213 | 93.4 Ų | 93.4 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.3 | -39.9 | 177.1 | -74 | -173 | -68.2 | 176.3 | -0.5 | 113 | G46 A47 L48 | G46-R50 WeakPolarHBondContact O-CG 3.36Å; G46-R50 PolarHBondContact O-N 3.31Å; G46-R50 PolarHBondContact O-NE 3.49Å; A47-R50 PolarHBondContact O-N 3.35Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.23Å |
| 51 | K | 89.5 | Confident | 84.1 | Confident | 165 Ų | 165 | 93.8 Ų | 93.8 | 72% | 0.717 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70 | -35.3 | -176.6 | -172.3 | 174.7 | 179.9 | -178.5 | 0 | 112.8 | A47 L48 | A47-K51 VanDerWaalsContact O-CB 3.32Å; A47-K51 WeakPolarHBondContact O-CB 3.37Å; A47-K51 PolarHBondContact O-N 3.02Å; L48-K51 PolarHBondContact O-N 3.5Å |
| 52 | F | 84.6 | Confident | 83.6 | Confident | 123 Ų | 123 | 94.1 Ų | 94.1 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -113.8 | 0.6 | -173.6 | -62.2 | -75.3 | 0 | 0 | 0 | 114.1 | L48 F54 | L48-F52 HydrophobicContact CD2-CD2 3.97Å; L48-F52 HydrophobicContact CD2-CE2 3.93Å; L48-F52 HydrophobicContact CG-CE2 4.48Å; L48-F52 WeakPolarHBondContact O-CD2 3.25Å; L48-F52 PolarHBondContact O-N 3.04Å; F52-F54 VanDerWaalsContact C-N 3.28Å; F52-F54 HydrophobicContact CB-CD2 3.75Å; F52-F54 HydrophobicContact CB-CE2 3.81Å; F52-F54 HydrophobicContact CG-CE2 4.46Å; F52-F54 PolarHBondContact O-N 3.46Å |
| 53 | G | 85.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | trans | 70.7 | 16.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R49 S55 | R49-G53 VanDerWaalsContact O-CA 3.32Å; R49-G53 WeakPolarHBondContact O-CA 3.37Å; R49-G53 PolarHBondContact O-N 3.38Å; G53-S55 PolarHBondContact O-N 2.88Å | ||
| 54 | F | 82.3 | Confident | 81.9 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | trans | -64.5 | 131.3 | -179.1 | -78.5 | -61.2 | 0 | 0 | 0 | 112.7 | R49 F52 D58 Y59 L62 | R49-F54 HydrophobicContact CG-CB 4.41Å; R49-F54 PolarHBondContact NE-O 3.28Å; R49-F54 PolarHBondContact O-N 3.01Å; F52-F54 VanDerWaalsContact C-N 3.28Å; F52-F54 HydrophobicContact CB-CD2 3.75Å; F52-F54 HydrophobicContact CB-CE2 3.81Å; F52-F54 HydrophobicContact CG-CE2 4.46Å; F52-F54 PolarHBondContact O-N 3.46Å; F54-D58 HydrophobicContact CD1-CB 3.74Å; F54-D58 HydrophobicContact CE1-CB 4.49Å; F54-Y59 HydrophobicContact CB-CD2 4.47Å; F54-L62 HydrophobicContact CE1-CD1 4.46Å; F54-L62 HydrophobicContact CZ-CD1 4.36Å | ||
| 55 | S | 81.6 | Confident | 81 | Confident | 52 Ų | 52 | 95.4 Ų | 95.4 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | trans | -63 | 160.3 | 165.3 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | G53 E57 D58 Y59 | G53-S55 PolarHBondContact O-N 2.88Å; S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 PolarHBondContact OG-N 3.04Å; S55-D58 VanDerWaalsContact CB-OD2 3.25Å; S55-D58 WeakPolarHBondContact CB-OD2 3.41Å; S55-D58 PolarHBondContact N-OD2 3.49Å; S55-Y59 PolarHBondContact O-N 3.37Å | ||
| 56 | A | 78.7 | Confident | 80 | Confident | 52 Ų | 52 | 92 Ų | 92 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S60 | A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 79.9 | Confident | 78.8 | Confident | 146 Ų | 146 | 98.1 Ų | 98.1 | 68% | 0.682 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.9 | -48.8 | 179.1 | -69.4 | 165.3 | 169.9 | 0 | 0 | 111.2 | S55 Y59 S60 E61 | S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 PolarHBondContact OG-N 3.04Å; E57-Y59 PolarHBondContact O-N 2.94Å; E57-S60 PolarHBondContact O-N 3.06Å; E57-S60 PolarHBondContact O-OG 2.89Å; E57-E61 PolarHBondContact O-N 3.37Å |
| 58 | D | 81 | Confident | 77.2 | Confident | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.1 | -41.4 | 176.7 | -57.4 | -33.9 | 0 | 0 | 0 | 111.6 | F54 S55 E61 L62 | F54-D58 HydrophobicContact CD1-CB 3.74Å; F54-D58 HydrophobicContact CE1-CB 4.49Å; S55-D58 VanDerWaalsContact CB-OD2 3.25Å; S55-D58 WeakPolarHBondContact CB-OD2 3.41Å; S55-D58 PolarHBondContact N-OD2 3.49Å; D58-E61 PolarHBondContact O-N 2.85Å; D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 PolarHBondContact O-N 3.47Å |
| 59 | Y | 75.1 | Confident | 75.6 | Confident | 51 Ų | 51 | 104 Ų | 104 | 20% | 0.2 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 179 | -149 | -82.4 | 0 | 0 | 0 | 111.7 | R45 L48 R49 F54 S55 E57 L62 E63 | R45-Y59 HydrophobicContact CG-CD1 4.15Å; R45-Y59 HydrophobicContact CG-CE1 3.79Å; R45-Y59 HydrophobicContact CG-CE2 4.37Å; L48-Y59 HydrophobicContact CB-CE2 4.23Å; R49-Y59 HydrophobicContact CG-CD2 4.02Å; R49-Y59 HydrophobicContact CG-CE2 4.48Å; F54-Y59 HydrophobicContact CB-CD2 4.47Å; S55-Y59 PolarHBondContact O-N 3.37Å; E57-Y59 PolarHBondContact O-N 2.94Å; Y59-L62 PolarHBondContact O-N 3.47Å; Y59-E63 HydrophobicContact CD1-CG 4.15Å; Y59-E63 HydrophobicContact CE1-CG 4.21Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.3Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.36Å; Y59-E63 WeakPolarHBondContact O-CG 3.38Å; Y59-E63 PolarHBondContact O-N 2.84Å |
| 60 | S | 78.9 | Confident | 74.3 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 177.8 | 71.4 | 0 | 0 | 0 | 0 | 112.7 | A56 E57 E63 R64 | A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.13Å; E57-S60 PolarHBondContact O-N 3.06Å; E57-S60 PolarHBondContact O-OG 2.89Å; S60-E63 PolarHBondContact O-N 3.3Å; S60-R64 PolarHBondContact O-N 3.33Å |
| 61 | E | 80.8 | Confident | 72.9 | Confident | 91 Ų | 91 | 100 Ų | 100 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 175.7 | -172.5 | 58.1 | -147.4 | 0 | 0 | 110.5 | E57 D58 R64 Q65 | E57-E61 PolarHBondContact O-N 3.37Å; D58-E61 PolarHBondContact O-N 2.85Å; E61-R64 WeakPolarHBondContact O-CB 3.33Å; E61-R64 PolarHBondContact O-N 2.88Å; E61-Q65 WeakPolarHBondContact O-CB 3.37Å; E61-Q65 WeakPolarHBondContact O-CG 3.09Å; E61-Q65 PolarHBondContact O-N 3.22Å; E61-Q65 PolarHBondContact OE1-NE2 2.89Å |
| 62 | L | 77.7 | Confident | 71.6 | Confident | 99 Ų | 99 | 94.4 Ų | 94.4 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 177.4 | -144.9 | 144.6 | 0 | 0 | 0 | 111.8 | F54 D58 Y59 Q65 A66 | F54-L62 HydrophobicContact CE1-CD1 4.46Å; F54-L62 HydrophobicContact CZ-CD1 4.36Å; D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 PolarHBondContact O-N 3.47Å; Y59-L62 PolarHBondContact O-N 3.47Å; L62-Q65 PolarHBondContact O-N 3.16Å; L62-A66 WeakPolarHBondContact O-CB 3.38Å; L62-A66 PolarHBondContact O-N 3.42Å |
| 63 | E | 74.5 | Confident | 70.7 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 171.3 | -78.6 | -177.7 | 167.3 | 0 | 0 | 111.3 | R45 Y59 S60 Q65 A66 E67 | R45-E63 IonicContact CZ-OE1 3.5Å; R45-E63 IonicContact CZ-OE2 3.97Å; R45-E63 IonicContact NE-OE1 3.6Å; R45-E63 IonicContact NH2-OE1 2.71Å; R45-E63 PolarHBondContact NH2-OE1 2.93Å; R45-E63 IonicContact NH2-OE2 3.19Å; R45-E63 PolarHBondContact NH2-OE2 3.16Å; Y59-E63 HydrophobicContact CD1-CG 4.15Å; Y59-E63 HydrophobicContact CE1-CG 4.21Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.3Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.36Å; Y59-E63 WeakPolarHBondContact O-CG 3.38Å; Y59-E63 PolarHBondContact O-N 2.84Å; S60-E63 PolarHBondContact O-N 3.3Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.91Å; E63-A66 PolarHBondContact O-N 3.48Å; E63-E67 PolarHBondContact O-N 3.35Å |
| 64 | R | 70.1 | Confident | 70.1 | Confident | 186 Ų | 186 | 89.9 Ų | 89.9 | 70% | 0.702 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -41 | 176 | -91 | -177.5 | 71.5 | 139.8 | -1.7 | 113.2 | S60 E61 P68 | S60-R64 PolarHBondContact O-N 3.33Å; E61-R64 WeakPolarHBondContact O-CB 3.33Å; E61-R64 PolarHBondContact O-N 2.88Å; R64-P68 WeakPolarHBondContact O-CD 3.3Å |
| 65 | Q | 68.5 | Low | 70 | Confident | 113 Ų | 113 | 92.2 Ų | 92.2 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.8 | -27.8 | -178.1 | -69.7 | -177.3 | 8.3 | 0 | 0 | 112.7 | E61 L62 E63 H69 | E61-Q65 WeakPolarHBondContact O-CB 3.37Å; E61-Q65 WeakPolarHBondContact O-CG 3.09Å; E61-Q65 PolarHBondContact O-N 3.22Å; E61-Q65 PolarHBondContact OE1-NE2 2.89Å; L62-Q65 PolarHBondContact O-N 3.16Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.91Å; Q65-H69 PolarHBondContact O-ND1 3.32Å |
| 66 | A | 63.9 | Low | 70.2 | Confident | 33 Ų | 33 | 94.4 Ų | 94.4 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.5 | -32.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L62 E63 H69 | L62-A66 WeakPolarHBondContact O-CB 3.38Å; L62-A66 PolarHBondContact O-N 3.42Å; E63-A66 PolarHBondContact O-N 3.48Å; A66-H69 PolarHBondContact O-N 3.42Å |
| 67 | E | 58.3 | Low | 70.5 | Confident | 155 Ų | 155 | 100.2 Ų | 100.2 | 72% | 0.724 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.6 | -45.4 | -175.6 | -106.4 | 165.2 | 162.4 | 0 | 0 | 114.8 | E63 | E63-E67 PolarHBondContact O-N 3.35Å |
| 68 | P | 55.3 | Low | 70.8 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -76.7 | -23.1 | -178.7 | -15.8 | 30.1 | 0 | 0 | 0 | 114.7 | R64 | R64-P68 WeakPolarHBondContact O-CD 3.3Å |
| 69 | H | 53.2 | Low | 71.1 | Confident | 152 Ų | 152 | 90.7 Ų | 90.7 | 70% | 0.704 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -97.2 | -5.4 | -166.7 | -67.7 | 94.3 | 0 | 0 | 0 | 114.4 | Q65 A66 T71 | Q65-H69 PolarHBondContact O-ND1 3.32Å; A66-H69 PolarHBondContact O-N 3.42Å; H69-T71 PolarHBondContact O-N 3Å; H69-T71 VanDerWaalsContact O-N 3.14Å |
| 70 | R | 55.2 | Low | 71.9 | Confident | 211 Ų | 211 | 90.6 Ų | 90.6 | 80% | 0.796 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.7 | -177.4 | -81.7 | -170.9 | 177.2 | 172.8 | 3.5 | 114.7 | ||
| 71 | T | 55.8 | Low | 72.5 | Confident | 19 Ų | 19 | 92 Ų | 92 | 12% | 0.117 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 1.5 | -167 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | H69 Q74 H206 G208 | H69-T71 PolarHBondContact O-N 3Å; H69-T71 VanDerWaalsContact O-N 3.14Å; T71-Q74 VanDerWaalsContact CB-NE2 3.27Å; T71-Q74 PolarHBondContact O-NE2 3.41Å; T71-Q74 VanDerWaalsContact OG1-CG 3.25Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.28Å; T71-Q74 PolarHBondContact OG1-NE2 2.94Å; T71-H206 WeakPolarHBondContact CG2-CE1 3.14Å; T71-H206 VanDerWaalsContact CG2-NE2 3.28Å; T71-H206 WeakPolarHBondContact CG2-NE2 3.11Å; T71-G208 PolarHBondContact O-N 2.99Å |
| 72 | G | 63.1 | Low | 73 | Confident | 49 Ų | 49 | 87.8 Ų | 87.8 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | trans | 73.7 | -167.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q74 | G72-Q74 PolarHBondContact O-N 3.29Š| ||
| 73 | C | 65.7 | Low | 73.7 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | trans | -73.6 | 92.8 | -177.9 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | Q | 71.6 | Confident | 74.7 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | trans | -74.8 | -25 | -180 | -66.5 | -64.2 | -35.7 | 0 | 0 | 113.7 | T71 G72 K76 G79 H206 | T71-Q74 VanDerWaalsContact CB-NE2 3.27Å; T71-Q74 PolarHBondContact O-NE2 3.41Å; T71-Q74 VanDerWaalsContact OG1-CG 3.25Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.28Å; T71-Q74 PolarHBondContact OG1-NE2 2.94Å; G72-Q74 PolarHBondContact O-N 3.29Å; Q74-K76 PolarHBondContact O-N 3.4Å; Q74-G79 WeakPolarHBondContact O-CA 3.48Å; Q74-H206 PolarHBondContact NE2-O 2.86Å | ||
| 75 | W | 81.1 | Confident | 75.8 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | trans | -97 | 74.4 | -173.6 | -61.2 | 106.9 | 0 | 0 | 0 | 112 | F83 A96 | W75-F83 HydrophobicContact CH2-CB 4.4Å; W75-F83 AromaticContact CH2-CD1 3.88Å; W75-F83 HydrophobicContact CH2-CD1 3.88Å; W75-F83 AromaticContact CH2-CD2 3.96Å; W75-F83 HydrophobicContact CH2-CD2 3.96Å; W75-F83 HydrophobicContact CH2-CE1 4.12Å; W75-F83 HydrophobicContact CH2-CE2 4.2Å; W75-F83 AromaticContact CH2-CG 3.8Å; W75-F83 HydrophobicContact CH2-CG 3.8Å; W75-F83 HydrophobicContact CH2-CZ 4.28Å; W75-F83 HydrophobicContact CZ3-CB 4.24Å; W75-F83 AromaticContact CZ3-CD1 3.9Å; W75-F83 HydrophobicContact CZ3-CD1 3.9Å; W75-F83 HydrophobicContact CZ3-CE1 4.44Å; W75-F83 AromaticContact CZ3-CG 3.98Å; W75-F83 HydrophobicContact CZ3-CG 3.98Å; W75-A96 HydrophobicContact CZ2-CB 4.29Å | ||
| 76 | K | 85.3 | Confident | 77 | Confident | 99 Ų | 99 | 68 Ų | 68 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.1 | 168.8 | 162.9 | -69.8 | -177 | 175.5 | -178.9 | 0 | 108.3 | Q74 A78 G79 S80 Q212 | Q74-K76 PolarHBondContact O-N 3.4Å; K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 2.9Å; K76-A78 VanDerWaalsContact O-N 3.1Å; K76-G79 WeakPolarHBondContact O-CA 3.49Å; K76-G79 PolarHBondContact O-N 3.36Å; K76-S80 PolarHBondContact O-N 3.48Å; K76-S80 PolarHBondContact O-OG 3.08Å; K76-Q212 HydrophobicContact CD-CG 4.35Å; K76-Q212 VanDerWaalsContact CD-NE2 3.3Å |
| 77 | F | 86.4 | Confident | 78.5 | Confident | 174 Ų | 174 | 67.4 Ų | 67.4 | 76% | 0.763 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -46.9 | -48.7 | -173.5 | -178.9 | -99.2 | 0 | 0 | 0 | 114.3 | G79 S80 F81 | F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 2.91Å; F77-S80 PolarHBondContact O-N 2.94Å; F77-F81 VanDerWaalsContact O-CB 3.27Å; F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 2.96Å |
| 78 | A | 85.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K76 Y82 L211 V218 F222 | K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 2.9Å; K76-A78 VanDerWaalsContact O-N 3.1Å; A78-Y82 PolarHBondContact O-N 3.47Å; A78-L211 HydrophobicContact CB-CD1 4.26Å; A78-L211 HydrophobicContact CB-CD2 3.95Å; A78-L211 HydrophobicContact CB-CG 3.79Å; A78-V218 HydrophobicContact CB-CG1 4.43Å; A78-F222 WeakPolarHBondContact O-CZ 3.39Å |
| 79 | G | 87.4 | Confident | 82.3 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.6 | -39.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q74 K76 F77 F81 Y82 F83 L211 | Q74-G79 WeakPolarHBondContact O-CA 3.48Å; K76-G79 WeakPolarHBondContact O-CA 3.49Å; K76-G79 PolarHBondContact O-N 3.36Å; F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 2.91Å; G79-F81 VanDerWaalsContact C-N 3.28Å; G79-F81 PolarHBondContact O-N 3.49Å; G79-Y82 PolarHBondContact O-N 3.28Å; G79-F83 WeakPolarHBondContact O-CB 3.35Å; G79-F83 PolarHBondContact O-N 3.16Å; G79-L211 VanDerWaalsContact N-CD2 3.34Å |
| 80 | S | 91.1 | Very high | 84.3 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 170.1 | -58 | 0 | 0 | 0 | 0 | 111.8 | K76 F77 A84 | K76-S80 PolarHBondContact O-N 3.48Å; K76-S80 PolarHBondContact O-OG 3.08Å; F77-S80 PolarHBondContact O-N 2.94Å; S80-A84 VanDerWaalsContact O-CB 3.29Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 3.21Å |
| 81 | F | 91.4 | Very high | 86.2 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 40% | 0.395 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.5 | -41 | 175.8 | -172 | -101.6 | 0 | 0 | 0 | 111.9 | F77 G79 A84 I85 F222 | F77-F81 VanDerWaalsContact O-CB 3.27Å; F77-F81 WeakPolarHBondContact O-CB 3.4Å; F77-F81 PolarHBondContact O-N 2.96Å; G79-F81 VanDerWaalsContact C-N 3.28Å; G79-F81 PolarHBondContact O-N 3.49Å; F81-A84 WeakPolarHBondContact O-CB 3.49Å; F81-A84 PolarHBondContact O-N 3.14Å; F81-I85 HydrophobicContact CD1-CD1 3.7Å; F81-I85 HydrophobicContact CD1-CG1 4.38Å; F81-I85 HydrophobicContact CE1-CD1 3.38Å; F81-I85 HydrophobicContact CE1-CG1 4.15Å; F81-I85 HydrophobicContact CZ-CD1 4.07Å; F81-I85 HydrophobicContact CZ-CG1 4.46Å; F81-I85 WeakPolarHBondContact O-CG1 3.39Å; F81-I85 PolarHBondContact O-N 3.04Å; F81-F222 AromaticContact CD1-CD2 3.61Å; F81-F222 HydrophobicContact CD1-CD2 3.61Å; F81-F222 AromaticContact CD1-CE2 3.47Å; F81-F222 HydrophobicContact CD1-CE2 3.47Å; F81-F222 VanDerWaalsContact CD1-CE2 3.47Å; F81-F222 HydrophobicContact CD1-CG 4.34Å; F81-F222 HydrophobicContact CD1-CZ 4.13Å; F81-F222 AromaticContact CE1-CD2 3.69Å; F81-F222 HydrophobicContact CE1-CD2 3.69Å; F81-F222 HydrophobicContact CE1-CE2 4.06Å; F81-F222 HydrophobicContact CE1-CG 4.3Å |
| 82 | Y | 90.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 172.7 | -174.5 | -123.7 | 0 | 0 | 0 | 111.7 | A78 G79 A84 I85 T86 Y93 H95 V203 A204 L205 F222 I225 | A78-Y82 PolarHBondContact O-N 3.47Å; G79-Y82 PolarHBondContact O-N 3.28Å; Y82-A84 VanDerWaalsContact C-N 3.34Å; Y82-A84 PolarHBondContact O-N 3.38Å; Y82-I85 PolarHBondContact O-N 3.33Å; Y82-T86 HydrophobicContact CD2-CG2 4.37Å; Y82-T86 HydrophobicContact CE1-CG2 4.4Å; Y82-T86 HydrophobicContact CE2-CG2 4.19Å; Y82-T86 WeakPolarHBondContact O-CG2 3.39Å; Y82-T86 PolarHBondContact O-N 3.29Å; Y82-T86 PolarHBondContact O-OG1 3.42Å; Y82-Y93 HydrophobicContact CE1-CD2 4.42Å; Y82-Y93 HydrophobicContact CE1-CE2 4.46Å; Y82-Y93 AromaticContact CZ-CE2 3.84Å; Y82-Y93 WeakPolarHBondContact OH-CE2 3.48Å; Y82-H95 AromaticContact CD1-CE1 3.84Å; Y82-H95 AromaticContact CD1-NE2 3.58Å; Y82-H95 AromaticContact CE1-CE1 3.42Å; Y82-H95 VanDerWaalsContact CE1-CE1 3.42Å; Y82-H95 WeakPolarHBondContact CE1-CE1 3.23Å; Y82-H95 AromaticContact CE1-NE2 3.48Å; Y82-H95 WeakPolarHBondContact CE1-NE2 3.18Å; Y82-V203 HydrophobicContact CE1-CG1 3.98Å; Y82-A204 PolarHBondContact OH-O 2.82Å; Y82-L205 HydrophobicContact CD2-CD1 4.47Å; Y82-L205 HydrophobicContact CE2-CD1 4.48Å; Y82-F222 AromaticContact CD2-CD1 3.82Å; Y82-F222 HydrophobicContact CD2-CD1 3.82Å; Y82-F222 AromaticContact CD2-CE1 3.38Å; Y82-F222 HydrophobicContact CD2-CE1 3.38Å; Y82-F222 HydrophobicContact CD2-CZ 4.46Å; Y82-F222 HydrophobicContact CE2-CE1 4.32Å; Y82-F222 AromaticContact CG-CE1 3.85Å; Y82-F222 HydrophobicContact CG-CE1 3.85Å; Y82-I225 HydrophobicContact CE2-CD1 3.76Å |
| 83 | F | 92.3 | Very high | 89.2 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.5 | -49.1 | 172.4 | 174.7 | -100.3 | 0 | 0 | 0 | 110.9 | W75 G79 I85 T86 V87 A96 P98 | W75-F83 HydrophobicContact CH2-CB 4.4Å; W75-F83 AromaticContact CH2-CD1 3.88Å; W75-F83 HydrophobicContact CH2-CD1 3.88Å; W75-F83 AromaticContact CH2-CD2 3.96Å; W75-F83 HydrophobicContact CH2-CD2 3.96Å; W75-F83 HydrophobicContact CH2-CE1 4.12Å; W75-F83 HydrophobicContact CH2-CE2 4.2Å; W75-F83 AromaticContact CH2-CG 3.8Å; W75-F83 HydrophobicContact CH2-CG 3.8Å; W75-F83 HydrophobicContact CH2-CZ 4.28Å; W75-F83 HydrophobicContact CZ3-CB 4.24Å; W75-F83 AromaticContact CZ3-CD1 3.9Å; W75-F83 HydrophobicContact CZ3-CD1 3.9Å; W75-F83 HydrophobicContact CZ3-CE1 4.44Å; W75-F83 AromaticContact CZ3-CG 3.98Å; W75-F83 HydrophobicContact CZ3-CG 3.98Å; G79-F83 WeakPolarHBondContact O-CB 3.35Å; G79-F83 PolarHBondContact O-N 3.16Å; F83-I85 PolarHBondContact O-N 2.86Å; F83-T86 WeakPolarHBondContact CA-OG1 3.23Å; F83-T86 PolarHBondContact O-N 2.9Å; F83-T86 PolarHBondContact O-OG1 3.38Å; F83-V87 HydrophobicContact CD1-CG2 4.25Å; F83-V87 HydrophobicContact CD2-CG2 4.05Å; F83-V87 HydrophobicContact CE1-CG2 3.86Å; F83-V87 HydrophobicContact CE2-CG2 3.63Å; F83-V87 HydrophobicContact CG-CG2 4.34Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CB 3.26Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.35Å; F83-V87 PolarHBondContact O-N 2.8Å; F83-A96 WeakPolarHBondContact CD2-O 3.28Å; F83-A96 WeakPolarHBondContact CE2-O 3.39Å; F83-P98 HydrophobicContact CZ-CG 4.47Å |
| 84 | A | 95.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S80 F81 Y82 V87 I88 Y110 | S80-A84 VanDerWaalsContact O-CB 3.29Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 3.21Å; F81-A84 WeakPolarHBondContact O-CB 3.49Å; F81-A84 PolarHBondContact O-N 3.14Å; Y82-A84 VanDerWaalsContact C-N 3.34Å; Y82-A84 PolarHBondContact O-N 3.38Å; A84-V87 PolarHBondContact O-N 2.94Å; A84-I88 WeakPolarHBondContact O-CG1 3.23Å; A84-I88 PolarHBondContact O-N 3.05Å; A84-I88 VanDerWaalsContact O-N 3.07Å; A84-Y110 HydrophobicContact CB-CE1 4.19Å |
| 85 | I | 94.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -54.7 | 174.3 | -70.4 | 168.8 | 0 | 0 | 0 | 110.2 | F81 Y82 F83 V87 I88 T89 F222 I225 L226 | F81-I85 HydrophobicContact CD1-CD1 3.7Å; F81-I85 HydrophobicContact CD1-CG1 4.38Å; F81-I85 HydrophobicContact CE1-CD1 3.38Å; F81-I85 HydrophobicContact CE1-CG1 4.15Å; F81-I85 HydrophobicContact CZ-CD1 4.07Å; F81-I85 HydrophobicContact CZ-CG1 4.46Å; F81-I85 WeakPolarHBondContact O-CG1 3.39Å; F81-I85 PolarHBondContact O-N 3.04Å; Y82-I85 PolarHBondContact O-N 3.33Å; F83-I85 PolarHBondContact O-N 2.86Å; I85-V87 PolarHBondContact O-N 3.34Å; I85-I88 WeakPolarHBondContact O-CG1 3.34Å; I85-I88 PolarHBondContact O-N 2.89Å; I85-T89 HydrophobicContact CG2-CG2 4.1Å; I85-T89 VanDerWaalsContact O-CB 3.3Å; I85-T89 WeakPolarHBondContact O-CB 3.48Å; I85-T89 VanDerWaalsContact O-CG2 3.29Å; I85-T89 WeakPolarHBondContact O-CG2 3.45Å; I85-T89 PolarHBondContact O-N 3.26Å; I85-T89 PolarHBondContact O-OG1 3.05Å; I85-F222 HydrophobicContact CD1-CB 4.03Å; I85-F222 HydrophobicContact CD1-CD1 4.13Å; I85-F222 HydrophobicContact CD1-CD2 4.47Å; I85-F222 HydrophobicContact CD1-CG 3.96Å; I85-I225 HydrophobicContact CG2-CG2 4.12Å; I85-L226 HydrophobicContact CG2-CD2 4.38Å |
| 86 | T | 94.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -30.7 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | Y82 F83 T90 I91 G92 Y93 | Y82-T86 HydrophobicContact CD2-CG2 4.37Å; Y82-T86 HydrophobicContact CE1-CG2 4.4Å; Y82-T86 HydrophobicContact CE2-CG2 4.19Å; Y82-T86 WeakPolarHBondContact O-CG2 3.39Å; Y82-T86 PolarHBondContact O-N 3.29Å; Y82-T86 PolarHBondContact O-OG1 3.42Å; F83-T86 WeakPolarHBondContact CA-OG1 3.23Å; F83-T86 PolarHBondContact O-N 2.9Å; F83-T86 PolarHBondContact O-OG1 3.38Å; T86-T90 PolarHBondContact O-N 3.2Å; T86-I91 PolarHBondContact O-N 3.23Å; T86-G92 PolarHBondContact O-N 3.29Å; T86-Y93 HydrophobicContact CG2-CD2 3.69Å; T86-Y93 HydrophobicContact CG2-CE2 3.71Å |
| 87 | V | 95.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74 | -50.7 | 177.4 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | F83 A84 I85 T89 T90 Y110 V111 | F83-V87 HydrophobicContact CD1-CG2 4.25Å; F83-V87 HydrophobicContact CD2-CG2 4.05Å; F83-V87 HydrophobicContact CE1-CG2 3.86Å; F83-V87 HydrophobicContact CE2-CG2 3.63Å; F83-V87 HydrophobicContact CG-CG2 4.34Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CB 3.26Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.35Å; F83-V87 PolarHBondContact O-N 2.8Å; A84-V87 PolarHBondContact O-N 2.94Å; I85-V87 PolarHBondContact O-N 3.34Å; V87-T89 VanDerWaalsContact C-N 3.32Å; V87-T89 PolarHBondContact O-N 2.79Å; V87-T90 PolarHBondContact O-N 3.39Å; V87-Y110 HydrophobicContact CG1-CD1 4.11Å; V87-Y110 HydrophobicContact CG1-CE1 4.34Å; V87-V111 HydrophobicContact CG1-CG2 3.18Å |
| 88 | I | 96.3 | Very high | 90.9 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.4 | -27 | -178.1 | 67.2 | -174.3 | 0 | 0 | 0 | 113 | A84 I85 T90 Y110 | A84-I88 WeakPolarHBondContact O-CG1 3.23Å; A84-I88 PolarHBondContact O-N 3.05Å; A84-I88 VanDerWaalsContact O-N 3.07Å; I85-I88 WeakPolarHBondContact O-CG1 3.34Å; I85-I88 PolarHBondContact O-N 2.89Å; I88-T90 VanDerWaalsContact C-N 3.27Å; I88-Y110 HydrophobicContact CG2-CD1 4.1Å; I88-Y110 HydrophobicContact CG2-CE1 3.27Å; I88-Y110 HydrophobicContact CG2-CE2 4.36Å; I88-Y110 VanDerWaalsContact CG2-CZ 3.41Å; I88-Y110 WeakPolarHBondContact CG2-OH 3.26Å |
| 89 | T | 95.3 | Very high | 91 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.7 | 175 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | I85 V87 I91 T118 F122 T196 L229 | I85-T89 HydrophobicContact CG2-CG2 4.1Å; I85-T89 VanDerWaalsContact O-CB 3.3Å; I85-T89 WeakPolarHBondContact O-CB 3.48Å; I85-T89 VanDerWaalsContact O-CG2 3.29Å; I85-T89 WeakPolarHBondContact O-CG2 3.45Å; I85-T89 PolarHBondContact O-N 3.26Å; I85-T89 PolarHBondContact O-OG1 3.05Å; V87-T89 VanDerWaalsContact C-N 3.32Å; V87-T89 PolarHBondContact O-N 2.79Å; T89-I91 PolarHBondContact O-N 3.01Å; T89-I91 VanDerWaalsContact O-N 3.14Å; T89-I91 WeakPolarHBondContact OG1-CD1 3.42Å; T89-I91 WeakPolarHBondContact OG1-CG1 3.28Å; T89-T118 HydrophobicContact CG2-CG2 4.22Å; T89-F122 HydrophobicContact CG2-CE2 3.98Å; T89-F122 HydrophobicContact CG2-CZ 3.99Å; T89-T196 VanDerWaalsContact O-CG2 3.28Å; T89-T196 WeakPolarHBondContact O-CG2 3.49Å; T89-L229 HydrophobicContact CG2-CD1 3.59Å |
| 90 | T | 96 | Very high | 91.2 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.1 | 179.6 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | T86 V87 I88 I115 T196 | T86-T90 PolarHBondContact O-N 3.2Å; V87-T90 PolarHBondContact O-N 3.39Å; I88-T90 VanDerWaalsContact C-N 3.27Å; T90-I115 HydrophobicContact CG2-CD1 3.46Å; T90-I115 VanDerWaalsContact CG2-CD1 3.46Å; T90-I115 HydrophobicContact CG2-CG1 3.69Å; T90-I115 HydrophobicContact CG2-CG2 4.18Å; T90-T196 VanDerWaalsContact O-O 3.1Å |
| 91 | I | 95.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -73.7 | -51.8 | 173.2 | -59.3 | 166.9 | 0 | 0 | 0 | 109.9 | T86 T89 Y93 T193 T196 G198 I225 L229 | T86-I91 PolarHBondContact O-N 3.23Å; T89-I91 PolarHBondContact O-N 3.01Å; T89-I91 VanDerWaalsContact O-N 3.14Å; T89-I91 WeakPolarHBondContact OG1-CD1 3.42Å; T89-I91 WeakPolarHBondContact OG1-CG1 3.28Å; I91-Y93 HydrophobicContact CG2-CD1 3.9Å; I91-Y93 HydrophobicContact CG2-CD2 4.1Å; I91-Y93 HydrophobicContact CG2-CE1 3.57Å; I91-Y93 HydrophobicContact CG2-CE2 3.78Å; I91-Y93 HydrophobicContact CG2-CG 4.16Å; I91-Y93 PolarHBondContact O-N 2.93Å; I91-T193 HydrophobicContact CD1-CG2 4.17Å; I91-T196 HydrophobicContact CG1-CG2 4.16Å; I91-G198 WeakPolarHBondContact O-CA 3.42Å; I91-I225 HydrophobicContact CD1-CG2 3.66Å; I91-L229 HydrophobicContact CD1-CD1 4.24Å | ||
| 92 | G | 91.8 | Very high | 91.6 | Very high | 46 Ų | 46 | 39 Ų | 39 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | trans | 56.4 | 46.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | T86 G94 | T86-G92 PolarHBondContact O-N 3.29Å; G92-G94 PolarHBondContact O-N 3.21Å | ||
| 93 | Y | 90 | Very high | 91.8 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | trans | -48.8 | -19.8 | -179.1 | -64.6 | -60 | 0 | 0 | 0 | 117.8 | Y82 T86 I91 H95 Y189 T193 G198 G200 V203 | Y82-Y93 HydrophobicContact CE1-CD2 4.42Å; Y82-Y93 HydrophobicContact CE1-CE2 4.46Å; Y82-Y93 AromaticContact CZ-CE2 3.84Å; Y82-Y93 WeakPolarHBondContact OH-CE2 3.48Å; T86-Y93 HydrophobicContact CG2-CD2 3.69Å; T86-Y93 HydrophobicContact CG2-CE2 3.71Å; I91-Y93 HydrophobicContact CG2-CD1 3.9Å; I91-Y93 HydrophobicContact CG2-CD2 4.1Å; I91-Y93 HydrophobicContact CG2-CE1 3.57Å; I91-Y93 HydrophobicContact CG2-CE2 3.78Å; I91-Y93 HydrophobicContact CG2-CG 4.16Å; I91-Y93 PolarHBondContact O-N 2.93Å; Y93-H95 WeakPolarHBondContact CB-ND1 3.28Å; Y93-H95 AromaticContact CD2-CE1 3.88Å; Y93-H95 AromaticContact CD2-ND1 3.89Å; Y93-H95 AromaticContact CG-ND1 3.99Å; Y93-H95 PolarHBondContact O-N 3.14Å; Y93-Y189 HydrophobicContact CE1-CE2 4.2Å; Y93-Y189 AromaticContact CZ-CE2 3.96Å; Y93-Y189 WeakPolarHBondContact OH-CE2 3.27Å; Y93-Y189 PolarHBondContact OH-OH 3.33Å; Y93-T193 WeakPolarHBondContact OH-CB 3.4Å; Y93-T193 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T193 PolarHBondContact OH-OG1 3.04Å; Y93-G198 VanDerWaalsContact CA-O 3.28Å; Y93-G198 WeakPolarHBondContact CA-O 3.36Å; Y93-G200 VanDerWaalsContact O-CA 3.27Å; Y93-G200 WeakPolarHBondContact O-CA 3.45Å; Y93-V203 HydrophobicContact CD1-CG2 4.15Å; Y93-V203 HydrophobicContact CD2-CG1 4.25Å; Y93-V203 HydrophobicContact CD2-CG2 4.49Å; Y93-V203 HydrophobicContact CG-CG2 3.98Å | ||
| 94 | G | 85.8 | Confident | 91.9 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 63% | 0.629 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 72.6 | -5.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G92 A96 | G92-G94 PolarHBondContact O-N 3.21Å; G94-A96 PolarHBondContact O-N 3.07Å |
| 95 | H | 81.1 | Confident | 92 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -61.7 | -23.1 | 174.3 | 69.4 | -81.3 | 0 | 0 | 0 | 113.8 | Y82 Y93 V203 | Y82-H95 AromaticContact CD1-CE1 3.84Å; Y82-H95 AromaticContact CD1-NE2 3.58Å; Y82-H95 AromaticContact CE1-CE1 3.42Å; Y82-H95 VanDerWaalsContact CE1-CE1 3.42Å; Y82-H95 WeakPolarHBondContact CE1-CE1 3.23Å; Y82-H95 AromaticContact CE1-NE2 3.48Å; Y82-H95 WeakPolarHBondContact CE1-NE2 3.18Å; Y93-H95 WeakPolarHBondContact CB-ND1 3.28Å; Y93-H95 AromaticContact CD2-CE1 3.88Å; Y93-H95 AromaticContact CD2-ND1 3.89Å; Y93-H95 AromaticContact CG-ND1 3.99Å; Y93-H95 PolarHBondContact O-N 3.14Å; H95-V203 HydrophobicContact CB-CG1 4.48Å; H95-V203 HydrophobicContact CB-CG2 4.15Å |
| 96 | A | 82.9 | Confident | 92.1 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -139.2 | 129.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | W75 F83 G94 | W75-A96 HydrophobicContact CZ2-CB 4.29Å; F83-A96 WeakPolarHBondContact CD2-O 3.28Å; F83-A96 WeakPolarHBondContact CE2-O 3.39Å; G94-A96 PolarHBondContact O-N 3.07Å |
| 97 | A | 87.1 | Confident | 92.2 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | trans | -139.1 | 147.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G99 | A97-G99 PolarHBondContact O-N 3.3Å; A97-G99 VanDerWaalsContact O-N 3.08Å | ||
| 98 | P | 89.4 | Confident | 92.2 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | trans | -65.5 | 112.6 | -179.7 | 25.7 | -32.7 | 0 | 0 | 0 | 110.4 | F83 K104 C107 | F83-P98 HydrophobicContact CZ-CG 4.47Å; P98-K104 HydrophobicContact CB-CG 4.32Å; P98-K104 HydrophobicContact CG-CG 4.07Å; P98-K104 VanDerWaalsContact O-CE 3.23Å; P98-K104 WeakPolarHBondContact O-CE 3.42Å; P98-K104 WeakPolarHBondContact O-CG 3.5Å; P98-C107 HydrophobicContact CG-CB 4.33Å | ||
| 99 | G | 87.1 | Confident | 92.3 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | trans | -73.9 | -30.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A97 K104 | A97-G99 PolarHBondContact O-N 3.3Å; A97-G99 VanDerWaalsContact O-N 3.08Å; G99-K104 PolarHBondContact O-NZ 3.38Å | ||
| 100 | T | 92.2 | Very high | 92.4 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -83.1 | 147.3 | -177 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | S102 G103 K104 | T100-S102 VanDerWaalsContact C-N 3.33Å; T100-S102 PolarHBondContact O-N 2.81Å; T100-G103 PolarHBondContact O-N 2.84Å; T100-G103 PolarHBondContact OG1-N 3.33Å; T100-G103 VanDerWaalsContact OG1-N 3.16Å; T100-K104 WeakPolarHBondContact O-CG 3.48Å; T100-K104 PolarHBondContact O-N 2.87Å |
| 101 | D | 94.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 65.2 Ų | 65.2 | 64% | 0.642 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 178.9 | -65.6 | -24.9 | 0 | 0 | 0 | 112.3 | G103 K104 V105 | D101-G103 PolarHBondContact O-N 3.22Å; D101-K104 PolarHBondContact O-N 3Å; D101-K104 IonicContact OD1-NZ 3.3Å; D101-K104 PolarHBondContact OD1-NZ 3.06Å; D101-V105 WeakPolarHBondContact O-CG2 3.25Å; D101-V105 PolarHBondContact O-N 3.4Å |
| 102 | S | 95.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 70.7 Ų | 70.7 | 63% | 0.629 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 172.1 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | T100 V105 F106 | T100-S102 VanDerWaalsContact C-N 3.33Å; T100-S102 PolarHBondContact O-N 2.81Å; S102-V105 PolarHBondContact O-N 3.47Å; S102-F106 WeakPolarHBondContact O-CB 3.41Å; S102-F106 PolarHBondContact O-N 2.9Å |
| 103 | G | 94.6 | Very high | 92.6 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 19% | 0.186 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T100 D101 C107 | T100-G103 PolarHBondContact O-N 2.84Å; T100-G103 PolarHBondContact OG1-N 3.33Å; T100-G103 VanDerWaalsContact OG1-N 3.16Å; D101-G103 PolarHBondContact O-N 3.22Å; G103-C107 VanDerWaalsContact O-CB 3.27Å; G103-C107 WeakPolarHBondContact O-CB 3.33Å; G103-C107 PolarHBondContact O-N 2.72Å |
| 104 | K | 95 | Very high | 93 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 174.9 | -67.7 | 168.9 | -165 | 158.4 | 0 | 111.8 | P98 G99 T100 D101 C107 K108 | P98-K104 HydrophobicContact CB-CG 4.32Å; P98-K104 HydrophobicContact CG-CG 4.07Å; P98-K104 VanDerWaalsContact O-CE 3.23Å; P98-K104 WeakPolarHBondContact O-CE 3.42Å; P98-K104 WeakPolarHBondContact O-CG 3.5Å; G99-K104 PolarHBondContact O-NZ 3.38Å; T100-K104 WeakPolarHBondContact O-CG 3.48Å; T100-K104 PolarHBondContact O-N 2.87Å; D101-K104 PolarHBondContact O-N 3Å; D101-K104 IonicContact OD1-NZ 3.3Å; D101-K104 PolarHBondContact OD1-NZ 3.06Å; K104-C107 PolarHBondContact O-N 2.91Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 3.33Å; K104-K108 VanDerWaalsContact O-N 3.17Å |
| 105 | V | 97.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 74.2 Ų | 74.2 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | D101 S102 C107 K108 F109 | D101-V105 WeakPolarHBondContact O-CG2 3.25Å; D101-V105 PolarHBondContact O-N 3.4Å; S102-V105 PolarHBondContact O-N 3.47Å; V105-C107 VanDerWaalsContact C-N 3.32Å; V105-C107 PolarHBondContact O-N 3.46Å; V105-K108 PolarHBondContact O-N 3.41Å; V105-F109 HydrophobicContact CG1-CD2 4.11Å; V105-F109 HydrophobicContact CG1-CE2 3.77Å; V105-F109 VanDerWaalsContact O-CD2 3.25Å; V105-F109 WeakPolarHBondContact O-CD2 3.38Å; V105-F109 PolarHBondContact O-N 3.2Å |
| 106 | F | 96.8 | Very high | 94.2 | Very high | 136 Ų | 136 | 75.9 Ų | 75.9 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57.2 | -45.5 | 175.5 | 175 | -100.2 | 0 | 0 | 0 | 111.9 | S102 K108 F109 Y110 | S102-F106 WeakPolarHBondContact O-CB 3.41Å; S102-F106 PolarHBondContact O-N 2.9Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.21Å; F106-F109 PolarHBondContact O-N 2.95Å; F106-Y110 HydrophobicContact CE1-CG 4.31Å; F106-Y110 HydrophobicContact CZ-CD2 4.29Å; F106-Y110 HydrophobicContact CZ-CG 4.48Å; F106-Y110 WeakPolarHBondContact O-CB 3.27Å; F106-Y110 PolarHBondContact O-N 3.14Å |
| 107 | C | 96.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 80.7 Ų | 80.7 | 17% | 0.169 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.6 | -42.3 | 179 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | P98 G103 K104 V105 F109 Y110 V111 | P98-C107 HydrophobicContact CG-CB 4.33Å; G103-C107 VanDerWaalsContact O-CB 3.27Å; G103-C107 WeakPolarHBondContact O-CB 3.33Å; G103-C107 PolarHBondContact O-N 2.72Å; K104-C107 PolarHBondContact O-N 2.91Å; V105-C107 VanDerWaalsContact C-N 3.32Å; V105-C107 PolarHBondContact O-N 3.46Å; C107-F109 PolarHBondContact O-N 2.95Å; C107-Y110 PolarHBondContact O-N 3.07Å; C107-V111 WeakPolarHBondContact O-CB 3.29Å; C107-V111 VanDerWaalsContact O-CG2 3.23Å; C107-V111 WeakPolarHBondContact O-CG2 3.48Å; C107-V111 PolarHBondContact O-N 3.28Å |
| 108 | K | 95.8 | Very high | 95.2 | Very high | 151 Ų | 151 | 78.4 Ų | 78.4 | 66% | 0.657 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.1 | -46.8 | 177 | -68.3 | 170.5 | -172.5 | 179.5 | 0 | 112.1 | K104 V105 F106 L112 | K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 3.33Å; K104-K108 VanDerWaalsContact O-N 3.17Å; V105-K108 PolarHBondContact O-N 3.41Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.21Å; K108-L112 WeakPolarHBondContact O-CB 3.44Å; K108-L112 PolarHBondContact O-N 2.97Å |
| 109 | F | 97.3 | Very high | 95.4 | Very high | 136 Ų | 136 | 82.1 Ų | 82.1 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.6 | -39.6 | 178.2 | -70.5 | -70.9 | 0 | 0 | 0 | 112.4 | V105 F106 C107 L112 L113 | V105-F109 HydrophobicContact CG1-CD2 4.11Å; V105-F109 HydrophobicContact CG1-CE2 3.77Å; V105-F109 VanDerWaalsContact O-CD2 3.25Å; V105-F109 WeakPolarHBondContact O-CD2 3.38Å; V105-F109 PolarHBondContact O-N 3.2Å; F106-F109 PolarHBondContact O-N 2.95Å; C107-F109 PolarHBondContact O-N 2.95Å; F109-L112 PolarHBondContact O-N 3.27Å; F109-L113 PolarHBondContact O-N 3.41Å |
| 110 | Y | 97.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 83.4 Ų | 83.4 | 29% | 0.286 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 178.2 | -178.1 | -112.1 | 0 | 0 | 0 | 111.8 | A84 V87 I88 F106 C107 G114 | A84-Y110 HydrophobicContact CB-CE1 4.19Å; V87-Y110 HydrophobicContact CG1-CD1 4.11Å; V87-Y110 HydrophobicContact CG1-CE1 4.34Å; I88-Y110 HydrophobicContact CG2-CD1 4.1Å; I88-Y110 HydrophobicContact CG2-CE1 3.27Å; I88-Y110 HydrophobicContact CG2-CE2 4.36Å; I88-Y110 VanDerWaalsContact CG2-CZ 3.41Å; I88-Y110 WeakPolarHBondContact CG2-OH 3.26Å; F106-Y110 HydrophobicContact CE1-CG 4.31Å; F106-Y110 HydrophobicContact CZ-CD2 4.29Å; F106-Y110 HydrophobicContact CZ-CG 4.48Å; F106-Y110 WeakPolarHBondContact O-CB 3.27Å; F106-Y110 PolarHBondContact O-N 3.14Å; C107-Y110 PolarHBondContact O-N 3.07Å; Y110-G114 WeakPolarHBondContact O-CA 3.38Å; Y110-G114 PolarHBondContact O-N 3.44Å |
| 111 | V | 96.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 82.1 Ų | 82.1 | 26% | 0.255 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 112 | V87 C107 L113 G114 I115 | V87-V111 HydrophobicContact CG1-CG2 3.18Å; C107-V111 WeakPolarHBondContact O-CB 3.29Å; C107-V111 VanDerWaalsContact O-CG2 3.23Å; C107-V111 WeakPolarHBondContact O-CG2 3.48Å; C107-V111 PolarHBondContact O-N 3.28Å; V111-L113 VanDerWaalsContact C-N 3.27Å; V111-L113 PolarHBondContact O-N 2.88Å; V111-G114 PolarHBondContact O-N 3.38Å; V111-I115 HydrophobicContact CG1-CD1 3.4Å; V111-I115 HydrophobicContact CG1-CG1 3.98Å; V111-I115 PolarHBondContact O-N 2.84Å |
| 112 | L | 96.3 | Very high | 95.9 | Very high | 119 Ų | 119 | 77.6 Ų | 77.6 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57 | -40.4 | -178 | -178.7 | 65.5 | 0 | 0 | 0 | 112.4 | K108 F109 P116 | K108-L112 WeakPolarHBondContact O-CB 3.44Å; K108-L112 PolarHBondContact O-N 2.97Å; F109-L112 PolarHBondContact O-N 3.27Å; L112-P116 VanDerWaalsContact O-CD 3.23Å; L112-P116 WeakPolarHBondContact O-CD 3.38Å; L112-P116 WeakPolarHBondContact O-CG 3.48Å |
| 113 | L | 96.2 | Very high | 95.7 | Very high | 132 Ų | 132 | 78 Ų | 78 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -90.3 | -35 | 177.9 | -62.6 | 176.1 | 0 | 0 | 0 | 112.5 | F109 V111 L117 | F109-L113 PolarHBondContact O-N 3.41Å; V111-L113 VanDerWaalsContact C-N 3.27Å; V111-L113 PolarHBondContact O-N 2.88Å; L113-L117 WeakPolarHBondContact O-CB 3.19Å; L113-L117 PolarHBondContact O-N 3.26Å |
| 114 | G | 97 | Very high | 95.6 | Very high | 9 Ų | 9 | 79.6 Ų | 79.6 | 9% | 0.093 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.8 | -42 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y110 V111 T118 | Y110-G114 WeakPolarHBondContact O-CA 3.38Å; Y110-G114 PolarHBondContact O-N 3.44Å; V111-G114 PolarHBondContact O-N 3.38Å; G114-T118 VanDerWaalsContact O-CB 3.27Å; G114-T118 WeakPolarHBondContact O-CB 3.39Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 PolarHBondContact O-OG1 2.84Å |
| 115 | I | 96.4 | Very high | 95.7 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.9 | -53.2 | -179.5 | -66.6 | 176.8 | 0 | 0 | 0 | 111.1 | T90 V111 L117 T118 L119 | T90-I115 HydrophobicContact CG2-CD1 3.46Å; T90-I115 VanDerWaalsContact CG2-CD1 3.46Å; T90-I115 HydrophobicContact CG2-CG1 3.69Å; T90-I115 HydrophobicContact CG2-CG2 4.18Å; V111-I115 HydrophobicContact CG1-CD1 3.4Å; V111-I115 HydrophobicContact CG1-CG1 3.98Å; V111-I115 PolarHBondContact O-N 2.84Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.36Å; I115-T118 PolarHBondContact O-N 3.24Å; I115-T118 VanDerWaalsContact O-N 3.14Å; I115-L119 HydrophobicContact CG2-CD1 3.87Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.82Å |
| 116 | P | 97 | Very high | 95.5 | Very high | 69 Ų | 69 | 75.4 Ų | 75.4 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 179.5 | -24.9 | 34.9 | 0 | 0 | 0 | 112.7 | L112 T118 L119 V120 | L112-P116 VanDerWaalsContact O-CD 3.23Å; L112-P116 WeakPolarHBondContact O-CD 3.38Å; L112-P116 WeakPolarHBondContact O-CG 3.48Å; P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 PolarHBondContact O-N 3.43Å; P116-L119 PolarHBondContact O-N 2.86Å; P116-V120 WeakPolarHBondContact O-CG2 3.44Å; P116-V120 PolarHBondContact O-N 3.1Å |
| 117 | L | 96 | Very high | 95.3 | Very high | 118 Ų | 118 | 73.4 Ų | 73.4 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 176.9 | 179.2 | 62.5 | 0 | 0 | 0 | 111.6 | L113 I115 T121 | L113-L117 WeakPolarHBondContact O-CB 3.19Å; L113-L117 PolarHBondContact O-N 3.26Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.36Å; L117-T121 WeakPolarHBondContact O-CB 3.08Å; L117-T121 PolarHBondContact O-N 3.27Å; L117-T121 PolarHBondContact O-OG1 3.02Å |
| 118 | T | 95.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 81 Ų | 81 | 10% | 0.104 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | T89 G114 I115 P116 T121 F122 | T89-T118 HydrophobicContact CG2-CG2 4.22Å; G114-T118 VanDerWaalsContact O-CB 3.27Å; G114-T118 WeakPolarHBondContact O-CB 3.39Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 PolarHBondContact O-OG1 2.84Å; I115-T118 PolarHBondContact O-N 3.24Å; I115-T118 VanDerWaalsContact O-N 3.14Å; P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 PolarHBondContact O-N 3.43Å; T118-T121 WeakPolarHBondContact O-CB 3.23Å; T118-T121 PolarHBondContact O-N 3.02Å; T118-F122 HydrophobicContact CG2-CD2 3.6Å; T118-F122 HydrophobicContact CG2-CE2 3.33Å; T118-F122 HydrophobicContact CG2-CZ 4.05Å; T118-F122 PolarHBondContact O-N 3.07Å |
| 119 | L | 93.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 75.9 Ų | 75.9 | 56% | 0.56 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.6 | -47.9 | 177.2 | -71.4 | 174.9 | 0 | 0 | 0 | 112.1 | I115 P116 T121 F122 Q123 | I115-L119 HydrophobicContact CG2-CD1 3.87Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 2.82Å; P116-L119 PolarHBondContact O-N 2.86Å; L119-T121 VanDerWaalsContact C-N 3.29Å; L119-T121 PolarHBondContact O-N 3.33Å; L119-F122 PolarHBondContact O-N 3.21Å; L119-Q123 WeakPolarHBondContact O-CB 3.2Å; L119-Q123 PolarHBondContact O-N 3.41Å |
| 120 | V | 94.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | P116 Q123 S124 | P116-V120 WeakPolarHBondContact O-CG2 3.44Å; P116-V120 PolarHBondContact O-N 3.1Å; V120-Q123 PolarHBondContact O-N 3.45Å; V120-S124 WeakPolarHBondContact O-CB 3.44Å; V120-S124 PolarHBondContact O-N 2.94Å; V120-S124 PolarHBondContact O-OG 3Å |
| 121 | T | 94.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L117 T118 L119 Q123 S124 L125 | L117-T121 WeakPolarHBondContact O-CB 3.08Å; L117-T121 PolarHBondContact O-N 3.27Å; L117-T121 PolarHBondContact O-OG1 3.02Å; T118-T121 WeakPolarHBondContact O-CB 3.23Å; T118-T121 PolarHBondContact O-N 3.02Å; L119-T121 VanDerWaalsContact C-N 3.29Å; L119-T121 PolarHBondContact O-N 3.33Å; T121-Q123 VanDerWaalsContact C-N 3.34Å; T121-Q123 PolarHBondContact O-N 3.4Å; T121-S124 PolarHBondContact O-N 3.18Å; T121-L125 HydrophobicContact CG2-CD1 3.82Å; T121-L125 HydrophobicContact CG2-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.49Å; T121-L125 VanDerWaalsContact O-CG 3.28Å; T121-L125 WeakPolarHBondContact O-CG 3.49Å; T121-L125 PolarHBondContact O-N 3.02Å |
| 122 | F | 94.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 178.5 | -76.5 | -34.8 | 0 | 0 | 0 | 113.1 | T89 T118 L119 G126 L226 L229 S233 | T89-F122 HydrophobicContact CG2-CE2 3.98Å; T89-F122 HydrophobicContact CG2-CZ 3.99Å; T118-F122 HydrophobicContact CG2-CD2 3.6Å; T118-F122 HydrophobicContact CG2-CE2 3.33Å; T118-F122 HydrophobicContact CG2-CZ 4.05Å; T118-F122 PolarHBondContact O-N 3.07Å; L119-F122 PolarHBondContact O-N 3.21Å; F122-G126 WeakPolarHBondContact O-CA 3.47Å; F122-G126 PolarHBondContact O-N 3.41Å; F122-L226 HydrophobicContact CZ-CD2 4.5Å; F122-L229 HydrophobicContact CE1-CB 3.99Å; F122-L229 HydrophobicContact CE2-CB 3.94Å; F122-L229 HydrophobicContact CE2-CD1 3.91Å; F122-L229 HydrophobicContact CZ-CB 3.6Å; F122-L229 HydrophobicContact CZ-CD1 3.75Å; F122-L229 HydrophobicContact CZ-CG 4.35Å; F122-S233 PolarHBondContact O-OG 3.32Å |
| 123 | Q | 91.8 | Very high | 94.4 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 173.4 | -173.5 | 177.2 | -25.1 | 0 | 0 | 110.7 | L119 V120 T121 L125 G126 E127 | L119-Q123 WeakPolarHBondContact O-CB 3.2Å; L119-Q123 PolarHBondContact O-N 3.41Å; V120-Q123 PolarHBondContact O-N 3.45Å; T121-Q123 VanDerWaalsContact C-N 3.34Å; T121-Q123 PolarHBondContact O-N 3.4Å; Q123-L125 PolarHBondContact O-N 3.24Å; Q123-G126 PolarHBondContact O-N 3.27Å; Q123-E127 WeakPolarHBondContact O-CG 3.49Å; Q123-E127 PolarHBondContact O-N 3.14Å |
| 124 | S | 93.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | V120 T121 R128 | V120-S124 WeakPolarHBondContact O-CB 3.44Å; V120-S124 PolarHBondContact O-N 2.94Å; V120-S124 PolarHBondContact O-OG 3Å; T121-S124 PolarHBondContact O-N 3.18Å; S124-R128 VanDerWaalsContact O-CG 3.32Å; S124-R128 WeakPolarHBondContact O-CG 3.36Å; S124-R128 PolarHBondContact O-N 3Å |
| 125 | L | 95.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 72.9 Ų | 72.9 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.2 | -71.5 | 175.7 | 0 | 0 | 0 | 111.3 | T121 Q123 E127 R128 L129 T230 | T121-L125 HydrophobicContact CG2-CD1 3.82Å; T121-L125 HydrophobicContact CG2-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.49Å; T121-L125 VanDerWaalsContact O-CG 3.28Å; T121-L125 WeakPolarHBondContact O-CG 3.49Å; T121-L125 PolarHBondContact O-N 3.02Å; Q123-L125 PolarHBondContact O-N 3.24Å; L125-E127 PolarHBondContact O-N 3.3Å; L125-R128 PolarHBondContact O-N 3.42Å; L125-L129 WeakPolarHBondContact O-CB 3.34Å; L125-L129 PolarHBondContact O-N 3.49Å; L125-T230 HydrophobicContact CB-CG2 3.66Å |
| 126 | G | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F122 Q123 L129 N130 | F122-G126 WeakPolarHBondContact O-CA 3.47Å; F122-G126 PolarHBondContact O-N 3.41Å; Q123-G126 PolarHBondContact O-N 3.27Å; G126-L129 PolarHBondContact O-N 2.67Å; G126-N130 WeakPolarHBondContact O-CB 3.28Å; G126-N130 PolarHBondContact O-N 3.46Å; G126-N130 PolarHBondContact O-ND2 2.91Å |
| 127 | E | 92.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 74.7 Ų | 74.7 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 172.8 | -71.7 | 177.3 | -173.9 | 0 | 0 | 112.2 | Q123 L125 L129 N130 A131 N237 | Q123-E127 WeakPolarHBondContact O-CG 3.49Å; Q123-E127 PolarHBondContact O-N 3.14Å; L125-E127 PolarHBondContact O-N 3.3Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-L129 PolarHBondContact O-N 3.27Å; E127-N130 PolarHBondContact O-N 2.68Å; E127-A131 WeakPolarHBondContact O-CB 3.32Å; E127-A131 PolarHBondContact O-N 2.76Å; E127-N237 WeakPolarHBondContact CG-ND2 3.36Å |
| 128 | R | 94.8 | Very high | 93.2 | Very high | 183 Ų | 183 | 70.9 Ų | 70.9 | 69% | 0.691 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 177.2 | -70 | 171.7 | -175.5 | -89.6 | -0.4 | 111.6 | S124 L125 A131 L132 | S124-R128 VanDerWaalsContact O-CG 3.32Å; S124-R128 WeakPolarHBondContact O-CG 3.36Å; S124-R128 PolarHBondContact O-N 3Å; L125-R128 PolarHBondContact O-N 3.42Å; R128-A131 PolarHBondContact O-N 3.45Å; R128-L132 WeakPolarHBondContact O-CB 3.01Å; R128-L132 PolarHBondContact O-N 3.41Å |
| 129 | L | 94.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 176.5 | -174.6 | 59.9 | 0 | 0 | 0 | 111.1 | L125 G126 E127 A131 L132 V133 T230 V231 A234 | L125-L129 WeakPolarHBondContact O-CB 3.34Å; L125-L129 PolarHBondContact O-N 3.49Å; G126-L129 PolarHBondContact O-N 2.67Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-L129 PolarHBondContact O-N 3.27Å; L129-A131 VanDerWaalsContact C-N 3.3Å; L129-A131 PolarHBondContact O-N 2.59Å; L129-L132 HydrophobicContact CD1-CD2 4.37Å; L129-L132 WeakPolarHBondContact O-CA 3.43Å; L129-L132 WeakPolarHBondContact O-CB 3.28Å; L129-L132 PolarHBondContact O-N 3.27Å; L129-L132 VanDerWaalsContact O-N 3.08Å; L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 3.12Å; L129-T230 HydrophobicContact CD2-CG2 4.27Å; L129-V231 HydrophobicContact CD2-CB 4.49Å; L129-V231 HydrophobicContact CD2-CG2 3.92Å; L129-A234 HydrophobicContact CB-CB 4.23Å; L129-A234 HydrophobicContact CD2-CB 3.92Å; L129-A234 HydrophobicContact CG-CB 4.34Å |
| 130 | N | 93.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 174.3 | -76.6 | -26 | 0 | 0 | 0 | 112.1 | G126 E127 L132 V133 R134 A234 | G126-N130 WeakPolarHBondContact O-CB 3.28Å; G126-N130 PolarHBondContact O-N 3.46Å; G126-N130 PolarHBondContact O-ND2 2.91Å; E127-N130 PolarHBondContact O-N 2.68Å; N130-L132 VanDerWaalsContact C-N 3.34Å; N130-V133 PolarHBondContact O-N 3.41Å; N130-R134 WeakPolarHBondContact O-CB 3.35Å; N130-R134 PolarHBondContact O-N 3.36Å; N130-A234 PolarHBondContact ND2-O 3.05Å |
| 131 | A | 92.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E127 R128 L129 R134 R135 | E127-A131 WeakPolarHBondContact O-CB 3.32Å; E127-A131 PolarHBondContact O-N 2.76Å; R128-A131 PolarHBondContact O-N 3.45Å; L129-A131 VanDerWaalsContact C-N 3.3Å; L129-A131 PolarHBondContact O-N 2.59Å; A131-R134 PolarHBondContact O-N 2.85Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 2.92Å; A131-R135 PolarHBondContact O-NH1 3.46Å |
| 132 | L | 93.5 | Very high | 92.2 | Very high | 71 Ų | 71 | 71.7 Ų | 71.7 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 174.1 | 178.5 | 64.7 | 0 | 0 | 0 | 111.4 | R128 L129 N130 R134 R135 L136 | R128-L132 WeakPolarHBondContact O-CB 3.01Å; R128-L132 PolarHBondContact O-N 3.41Å; L129-L132 HydrophobicContact CD1-CD2 4.37Å; L129-L132 WeakPolarHBondContact O-CA 3.43Å; L129-L132 WeakPolarHBondContact O-CB 3.28Å; L129-L132 PolarHBondContact O-N 3.27Å; L129-L132 VanDerWaalsContact O-N 3.08Å; N130-L132 VanDerWaalsContact C-N 3.34Å; L132-R134 VanDerWaalsContact C-N 3.28Å; L132-R134 PolarHBondContact O-N 2.74Å; L132-R135 WeakPolarHBondContact O-CA 3.37Å; L132-R135 WeakPolarHBondContact O-CB 3.3Å; L132-R135 PolarHBondContact O-N 2.96Å; L132-L136 HydrophobicContact CD1-CD1 4.34Å; L132-L136 HydrophobicContact CD1-CG 4.27Å; L132-L136 HydrophobicContact CG-CD1 4.06Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CG 3.41Å; L132-L136 PolarHBondContact O-N 2.88Å |
| 133 | V | 91.9 | Very high | 92 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.2 | -44.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L129 N130 R135 L136 L137 S159 | L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 3.12Å; N130-V133 PolarHBondContact O-N 3.41Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 3.41Å; V133-L136 PolarHBondContact O-N 3.25Å; V133-L137 HydrophobicContact CG1-CD1 3.89Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CB 3.27Å; V133-L137 WeakPolarHBondContact O-CG 3.5Å; V133-L137 PolarHBondContact O-N 2.99Å; V133-S159 WeakPolarHBondContact CG1-OG 3.48Å |
| 134 | R | 91.9 | Very high | 92 | Very high | 135 Ų | 135 | 78 Ų | 78 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.9 | -174.4 | 175.4 | -178 | -113.3 | 2.5 | 112.2 | N130 A131 L132 L138 V151 L156 | N130-R134 WeakPolarHBondContact O-CB 3.35Å; N130-R134 PolarHBondContact O-N 3.36Å; A131-R134 PolarHBondContact O-N 2.85Å; L132-R134 VanDerWaalsContact C-N 3.28Å; L132-R134 PolarHBondContact O-N 2.74Å; R134-L138 HydrophobicContact CG-CD1 4.25Å; R134-L138 WeakPolarHBondContact O-CB 3.44Å; R134-L138 VanDerWaalsContact O-CG 3.27Å; R134-L138 WeakPolarHBondContact O-CG 3.29Å; R134-L138 PolarHBondContact O-N 3.27Å; R134-V151 HydrophobicContact CG-CB 4.4Å; R134-V151 HydrophobicContact CG-CG1 4.3Å; R134-L156 HydrophobicContact CB-CD2 4.08Å |
| 135 | R | 92.3 | Very high | 91.6 | Very high | 139 Ų | 139 | 78.3 Ų | 78.3 | 53% | 0.525 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | -72.8 | -171.5 | -57.9 | -88.4 | 4 | 111.6 | A131 L132 V133 L138 A139 | A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 2.92Å; A131-R135 PolarHBondContact O-NH1 3.46Å; L132-R135 WeakPolarHBondContact O-CA 3.37Å; L132-R135 WeakPolarHBondContact O-CB 3.3Å; L132-R135 PolarHBondContact O-N 2.96Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 3.41Å; R135-L138 PolarHBondContact O-N 3.4Å; R135-A139 WeakPolarHBondContact O-CB 3.12Å; R135-A139 PolarHBondContact O-N 3.13Å |
| 136 | L | 92.1 | Very high | 91.1 | Very high | 107 Ų | 107 | 79.2 Ų | 79.2 | 56% | 0.56 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 178.3 | -68 | 175 | 0 | 0 | 0 | 111.7 | L132 V133 L138 A139 A140 | L132-L136 HydrophobicContact CD1-CD1 4.34Å; L132-L136 HydrophobicContact CD1-CG 4.27Å; L132-L136 HydrophobicContact CG-CD1 4.06Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CG 3.41Å; L132-L136 PolarHBondContact O-N 2.88Å; V133-L136 PolarHBondContact O-N 3.25Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.42Å; L136-A139 PolarHBondContact O-N 2.87Å; L136-A139 VanDerWaalsContact O-N 3.16Å; L136-A140 WeakPolarHBondContact O-CB 3.35Å; L136-A140 PolarHBondContact O-N 2.95Å |
| 137 | L | 90.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 91 Ų | 91 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.9 | -74 | 171.9 | 0 | 0 | 0 | 111.9 | V133 K141 V151 L156 | V133-L137 HydrophobicContact CG1-CD1 3.89Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CB 3.27Å; V133-L137 WeakPolarHBondContact O-CG 3.5Å; V133-L137 PolarHBondContact O-N 2.99Å; L137-K141 WeakPolarHBondContact O-CB 3.34Å; L137-K141 WeakPolarHBondContact O-CG 3.46Å; L137-K141 PolarHBondContact O-N 2.82Å; L137-V151 HydrophobicContact CB-CG2 4.08Å; L137-V151 HydrophobicContact CD1-CG1 4.34Å; L137-L156 HydrophobicContact CD1-CD2 4.2Å |
| 138 | L | 90.9 | Very high | 89.2 | Confident | 38 Ų | 38 | 97 Ų | 97 | 20% | 0.199 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 175 | -73.9 | 170.4 | 0 | 0 | 0 | 112.2 | R134 R135 L136 R142 P149 V151 | R134-L138 HydrophobicContact CG-CD1 4.25Å; R134-L138 WeakPolarHBondContact O-CB 3.44Å; R134-L138 VanDerWaalsContact O-CG 3.27Å; R134-L138 WeakPolarHBondContact O-CG 3.29Å; R134-L138 PolarHBondContact O-N 3.27Å; R135-L138 PolarHBondContact O-N 3.4Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.42Å; L138-R142 VanDerWaalsContact O-CG 3.28Å; L138-R142 WeakPolarHBondContact O-CG 3.27Å; L138-R142 PolarHBondContact O-N 3.32Å; L138-R142 VanDerWaalsContact O-N 3.13Å; L138-R142 PolarHBondContact O-NE 3.1Å; L138-R142 VanDerWaalsContact O-NE 3.14Å; L138-P149 HydrophobicContact CD2-CB 4.15Å; L138-P149 HydrophobicContact CD2-CG 4.38Å; L138-P149 VanDerWaalsContact CD2-O 3.27Å; L138-P149 WeakPolarHBondContact CD2-O 3.33Å; L138-V151 HydrophobicContact CD2-CG2 3.62Å; L138-V151 HydrophobicContact CG-CG2 3.7Å |
| 139 | A | 89.6 | Confident | 88.4 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 28% | 0.281 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R135 L136 K141 R142 C143 | R135-A139 WeakPolarHBondContact O-CB 3.12Å; R135-A139 PolarHBondContact O-N 3.13Å; L136-A139 PolarHBondContact O-N 2.87Å; L136-A139 VanDerWaalsContact O-N 3.16Å; A139-K141 PolarHBondContact O-N 3.11Å; A139-R142 WeakPolarHBondContact O-CA 3.44Å; A139-R142 WeakPolarHBondContact O-CB 3.47Å; A139-R142 PolarHBondContact O-N 3.31Å; A139-C143 PolarHBondContact O-N 3.11Å; A139-C143 PolarHBondContact O-SG 2.96Å |
| 140 | A | 89.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 97.8 Ų | 97.8 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L136 R142 C143 L144 | L136-A140 WeakPolarHBondContact O-CB 3.35Å; L136-A140 PolarHBondContact O-N 2.95Å; A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.06Å; A140-C143 PolarHBondContact O-N 2.87Å; A140-L144 WeakPolarHBondContact O-CD1 3.44Å; A140-L144 WeakPolarHBondContact O-CG 3.44Å; A140-L144 PolarHBondContact O-N 3.42Å |
| 141 | K | 89.6 | Confident | 87.5 | Confident | 49 Ų | 49 | 97.3 Ų | 97.3 | 21% | 0.213 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.7 | -31.7 | 176.2 | -73.1 | -171.7 | -176.7 | -164.3 | 0 | 113.2 | L137 A139 L146 P149 R150 N155 | L137-K141 WeakPolarHBondContact O-CB 3.34Å; L137-K141 WeakPolarHBondContact O-CG 3.46Å; L137-K141 PolarHBondContact O-N 2.82Å; A139-K141 PolarHBondContact O-N 3.11Å; K141-L146 HydrophobicContact CB-CD1 3.85Å; K141-L146 HydrophobicContact CD-CD1 4.18Å; K141-L146 HydrophobicContact CG-CD1 3.88Å; K141-L146 WeakPolarHBondContact O-CB 3.35Å; K141-L146 PolarHBondContact O-N 2.82Å; K141-P149 HydrophobicContact CB-CB 3.58Å; K141-P149 HydrophobicContact CD-CB 4.15Å; K141-R150 PolarHBondContact NZ-O 3.27Å; K141-N155 PolarHBondContact NZ-ND2 3.2Å; K141-N155 VanDerWaalsContact NZ-ND2 3.12Å |
| 142 | R | 89.3 | Confident | 87.4 | Confident | 160 Ų | 160 | 98 Ų | 98 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70 | -43.6 | 172.8 | -77.1 | -179.4 | -78.7 | 163 | -3.3 | 111.4 | L138 A139 A140 L144 G145 P149 | L138-R142 VanDerWaalsContact O-CG 3.28Å; L138-R142 WeakPolarHBondContact O-CG 3.27Å; L138-R142 PolarHBondContact O-N 3.32Å; L138-R142 VanDerWaalsContact O-N 3.13Å; L138-R142 PolarHBondContact O-NE 3.1Å; L138-R142 VanDerWaalsContact O-NE 3.14Å; A139-R142 WeakPolarHBondContact O-CA 3.44Å; A139-R142 WeakPolarHBondContact O-CB 3.47Å; A139-R142 PolarHBondContact O-N 3.31Å; A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.06Å; R142-L144 PolarHBondContact O-N 3.09Å; R142-G145 PolarHBondContact O-N 2.98Å; R142-P149 HydrophobicContact CG-CG 3.82Å |
| 143 | C | 90 | Very high | 87 | Confident | 116 Ų | 116 | 98 Ų | 98 | 78% | 0.784 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.4 | -31.8 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | A139 A140 G145 | A139-C143 PolarHBondContact O-N 3.11Å; A139-C143 PolarHBondContact O-SG 2.96Å; A140-C143 PolarHBondContact O-N 2.87Å; C143-G145 PolarHBondContact O-N 2.92Å |
| 144 | L | 90.4 | Very high | 86.8 | Confident | 138 Ų | 138 | 102.6 Ų | 102.6 | 72% | 0.723 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 4.4 | 173.7 | -70.7 | 160.3 | 0 | 0 | 0 | 114.1 | A140 R142 L146 | A140-L144 WeakPolarHBondContact O-CD1 3.44Å; A140-L144 WeakPolarHBondContact O-CG 3.44Å; A140-L144 PolarHBondContact O-N 3.42Å; R142-L144 PolarHBondContact O-N 3.09Å; L144-L146 PolarHBondContact O-N 3.07Å |
| 145 | G | 85.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 99 Ų | 99 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 13.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R142 C143 R147 | R142-G145 PolarHBondContact O-N 2.98Å; C143-G145 PolarHBondContact O-N 2.92Å; G145-R147 PolarHBondContact O-N 3Å |
| 146 | L | 85.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | trans | -71.9 | 116.9 | 179.9 | -66.2 | 166.9 | 0 | 0 | 0 | 110.8 | K141 L144 R148 P149 | K141-L146 HydrophobicContact CB-CD1 3.85Å; K141-L146 HydrophobicContact CD-CD1 4.18Å; K141-L146 HydrophobicContact CG-CD1 3.88Å; K141-L146 WeakPolarHBondContact O-CB 3.35Å; K141-L146 PolarHBondContact O-N 2.82Å; L144-L146 PolarHBondContact O-N 3.07Å; L146-R148 PolarHBondContact O-N 3.3Å; L146-R148 VanDerWaalsContact O-N 3.12Å; L146-P149 WeakPolarHBondContact O-CD 3.28Å | ||
| 147 | R | 71.8 | Confident | 86.7 | Confident | 248 Ų | 248 | 90.1 Ų | 90.1 | 94% | 0.936 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -62.6 | -19.6 | -172.8 | -71 | -175.7 | 172.8 | -145.1 | -1.3 | 115.5 | G145 | G145-R147 PolarHBondContact O-N 3Š|
| 148 | R | 74.4 | Confident | 86.8 | Confident | 220 Ų | 220 | 91.7 Ų | 91.7 | 83% | 0.83 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -147.9 | 78.1 | 176.3 | -67.4 | -172.7 | 179.3 | 171.9 | -0.3 | 111.2 | L146 R150 | L146-R148 PolarHBondContact O-N 3.3Å; L146-R148 VanDerWaalsContact O-N 3.12Å; R148-R150 PolarHBondContact O-N 3.31Å; R148-R150 VanDerWaalsContact O-N 3.09Å |
| 149 | P | 78.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 90.9 Ų | 90.9 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | trans | -71.3 | 110.4 | -175.6 | 30 | -32.8 | 0 | 0 | 0 | 109.9 | L138 K141 R142 L146 | L138-P149 HydrophobicContact CD2-CB 4.15Å; L138-P149 HydrophobicContact CD2-CG 4.38Å; L138-P149 VanDerWaalsContact CD2-O 3.27Å; L138-P149 WeakPolarHBondContact CD2-O 3.33Å; K141-P149 HydrophobicContact CB-CB 3.58Å; K141-P149 HydrophobicContact CD-CB 4.15Å; R142-P149 HydrophobicContact CG-CG 3.82Å; L146-P149 WeakPolarHBondContact O-CD 3.28Å | ||
| 150 | R | 82.4 | Confident | 87.1 | Confident | 209 Ų | 209 | 89.7 Ų | 89.7 | 79% | 0.789 | 46% | 0.455 | S | S | * | . | trans | -103.4 | 138.2 | 168.6 | -68.9 | -176.8 | 178.4 | -170.7 | -0.4 | 109.7 | K141 R148 | K141-R150 PolarHBondContact NZ-O 3.27Å; R148-R150 PolarHBondContact O-N 3.31Å; R148-R150 VanDerWaalsContact O-N 3.09Å | ||
| 151 | V | 86.9 | Confident | 87.3 | Confident | 23 Ų | 23 | 91.7 Ų | 91.7 | 14% | 0.139 | 46% | 0.458 | C | S | . | . | trans | -104.5 | 104.1 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | R134 L137 L138 N155 L156 | R134-V151 HydrophobicContact CG-CB 4.4Å; R134-V151 HydrophobicContact CG-CG1 4.3Å; L137-V151 HydrophobicContact CB-CG2 4.08Å; L137-V151 HydrophobicContact CD1-CG1 4.34Å; L138-V151 HydrophobicContact CD2-CG2 3.62Å; L138-V151 HydrophobicContact CG-CG2 3.7Å; V151-N155 HydrophobicContact CG1-CB 4.31Å; V151-L156 HydrophobicContact CG1-CD1 4.22Å; V151-L156 HydrophobicContact CG1-CD2 3.7Å; V151-L156 HydrophobicContact CG1-CG 3.64Å | ||
| 152 | S | 88.5 | Confident | 87.6 | Confident | 52 Ų | 52 | 95 Ų | 95 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -70.1 | 157 | 169.6 | -178 | 0 | 0 | 0 | 0 | 110.5 | E154 N155 L156 | S152-E154 PolarHBondContact O-N 3.42Å; S152-E154 PolarHBondContact OG-N 3.39Å; S152-N155 PolarHBondContact N-ND2 2.77Å; S152-N155 WeakPolarHBondContact O-CB 3.34Å; S152-N155 PolarHBondContact O-N 2.96Å; S152-N155 VanDerWaalsContact O-N 3.13Å; S152-L156 PolarHBondContact O-N 2.98Å | ||
| 153 | T | 86 | Confident | 88 | Confident | 72 Ų | 72 | 89 Ų | 89 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.8 | -35.7 | 171.2 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | N155 L156 V157 | T153-N155 PolarHBondContact O-N 3.47Å; T153-L156 WeakPolarHBondContact O-CB 3.4Å; T153-L156 PolarHBondContact O-N 2.61Å; T153-L156 VanDerWaalsContact O-N 3.17Å; T153-V157 WeakPolarHBondContact O-CG2 3.28Å; T153-V157 PolarHBondContact O-N 3.14Å |
| 154 | E | 87.6 | Confident | 88.3 | Confident | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 176.3 | -67.5 | 166.4 | 177.8 | 0 | 0 | 112 | S152 L156 V157 V158 | S152-E154 PolarHBondContact O-N 3.42Å; S152-E154 PolarHBondContact OG-N 3.39Å; E154-L156 PolarHBondContact O-N 3.34Å; E154-V157 PolarHBondContact O-N 3.26Å; E154-V158 WeakPolarHBondContact O-CG2 3.23Å; E154-V158 PolarHBondContact O-N 2.87Å |
| 155 | N | 90.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -35.9 | 176.5 | -63.3 | -25.3 | 0 | 0 | 0 | 111.3 | K141 V151 S152 T153 S159 | K141-N155 PolarHBondContact NZ-ND2 3.2Å; K141-N155 VanDerWaalsContact NZ-ND2 3.12Å; V151-N155 HydrophobicContact CG1-CB 4.31Å; S152-N155 PolarHBondContact N-ND2 2.77Å; S152-N155 WeakPolarHBondContact O-CB 3.34Å; S152-N155 PolarHBondContact O-N 2.96Å; S152-N155 VanDerWaalsContact O-N 3.13Å; T153-N155 PolarHBondContact O-N 3.47Å; N155-S159 VanDerWaalsContact O-CB 3.27Å; N155-S159 WeakPolarHBondContact O-CB 3.43Å; N155-S159 PolarHBondContact O-N 3.3Å; N155-S159 PolarHBondContact O-OG 3.37Å |
| 156 | L | 91 | Very high | 89.1 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 176.1 | -68.3 | 171.8 | 0 | 0 | 0 | 111.3 | R134 L137 V151 S152 T153 E154 S159 G160 L238 | R134-L156 HydrophobicContact CB-CD2 4.08Å; L137-L156 HydrophobicContact CD1-CD2 4.2Å; V151-L156 HydrophobicContact CG1-CD1 4.22Å; V151-L156 HydrophobicContact CG1-CD2 3.7Å; V151-L156 HydrophobicContact CG1-CG 3.64Å; S152-L156 PolarHBondContact O-N 2.98Å; T153-L156 WeakPolarHBondContact O-CB 3.4Å; T153-L156 PolarHBondContact O-N 2.61Å; T153-L156 VanDerWaalsContact O-N 3.17Å; E154-L156 PolarHBondContact O-N 3.34Å; L156-S159 WeakPolarHBondContact CA-OG 3.35Å; L156-S159 PolarHBondContact O-N 2.89Å; L156-S159 PolarHBondContact O-OG 3.46Å; L156-G160 PolarHBondContact O-N 2.85Å; L156-L238 HydrophobicContact CB-CD1 4.32Å; L156-L238 HydrophobicContact CB-CD2 3.8Å; L156-L238 HydrophobicContact CD1-CD1 4.46Å |
| 157 | V | 92.1 | Very high | 89.6 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | T153 E154 S159 G160 L161 F235 L238 | T153-V157 WeakPolarHBondContact O-CG2 3.28Å; T153-V157 PolarHBondContact O-N 3.14Å; E154-V157 PolarHBondContact O-N 3.26Å; V157-S159 PolarHBondContact O-N 2.93Å; V157-G160 PolarHBondContact O-N 2.84Å; V157-L161 HydrophobicContact CG1-CD1 4.3Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.49Å; V157-F235 HydrophobicContact CG1-CE2 4.39Å; V157-L238 HydrophobicContact CB-CD2 4.41Å; V157-L238 HydrophobicContact CG2-CD2 3.76Å; V157-L238 HydrophobicContact CG2-CG 4.36Å |
| 158 | V | 92.8 | Very high | 90.9 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | E154 G160 L161 L162 | E154-V158 WeakPolarHBondContact O-CG2 3.23Å; E154-V158 PolarHBondContact O-N 2.87Å; V158-G160 VanDerWaalsContact C-N 3.3Å; V158-G160 PolarHBondContact O-N 3.42Å; V158-L161 PolarHBondContact O-N 2.8Å; V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CG 3.31Å; V158-L162 PolarHBondContact O-N 3.41Å |
| 159 | S | 93.3 | Very high | 92 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 177 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | V133 N155 L156 V157 L162 A163 | V133-S159 WeakPolarHBondContact CG1-OG 3.48Å; N155-S159 VanDerWaalsContact O-CB 3.27Å; N155-S159 WeakPolarHBondContact O-CB 3.43Å; N155-S159 PolarHBondContact O-N 3.3Å; N155-S159 PolarHBondContact O-OG 3.37Å; L156-S159 WeakPolarHBondContact CA-OG 3.35Å; L156-S159 PolarHBondContact O-N 2.89Å; L156-S159 PolarHBondContact O-OG 3.46Å; V157-S159 PolarHBondContact O-N 2.93Å; S159-L162 PolarHBondContact O-N 2.81Å; S159-A163 WeakPolarHBondContact O-CB 3.37Å; S159-A163 PolarHBondContact O-N 3.37Å |
| 160 | G | 93.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L156 V157 V158 A163 C164 | L156-G160 PolarHBondContact O-N 2.85Å; V157-G160 PolarHBondContact O-N 2.84Å; V158-G160 VanDerWaalsContact C-N 3.3Å; V158-G160 PolarHBondContact O-N 3.42Å; G160-A163 PolarHBondContact O-N 3.19Å; G160-C164 PolarHBondContact O-N 2.91Å; G160-C164 PolarHBondContact O-SG 3.1Å |
| 161 | L | 94.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 173.4 | -73.4 | 171.8 | 0 | 0 | 0 | 111.6 | V157 V158 A163 C164 A165 F235 | V157-L161 HydrophobicContact CG1-CD1 4.3Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.49Å; V158-L161 PolarHBondContact O-N 2.8Å; L161-A163 VanDerWaalsContact C-N 3.35Å; L161-A163 PolarHBondContact O-N 3.45Å; L161-C164 PolarHBondContact O-N 3.46Å; L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.2Å; L161-F235 HydrophobicContact CD2-CE1 4.12Å; L161-F235 HydrophobicContact CD2-CE2 3.74Å; L161-F235 HydrophobicContact CD2-CZ 3.4Å; L161-F235 VanDerWaalsContact CD2-CZ 3.4Å; L161-F235 HydrophobicContact CG-CE2 3.73Å; L161-F235 HydrophobicContact CG-CZ 3.9Å |
| 162 | L | 95.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 51 Ų | 51 | 62% | 0.618 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 175.7 | -71 | 172.9 | 0 | 0 | 0 | 111.8 | V158 S159 A165 A166 | V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CG 3.31Å; V158-L162 PolarHBondContact O-N 3.41Å; S159-L162 PolarHBondContact O-N 2.81Å; L162-A165 PolarHBondContact O-N 3.43Å; L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.35Å; L162-A166 PolarHBondContact O-N 2.95Å |
| 163 | A | 96.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S159 G160 L161 A165 A166 T167 V231 | S159-A163 WeakPolarHBondContact O-CB 3.37Å; S159-A163 PolarHBondContact O-N 3.37Å; G160-A163 PolarHBondContact O-N 3.19Å; L161-A163 VanDerWaalsContact C-N 3.35Å; L161-A163 PolarHBondContact O-N 3.45Å; A163-A165 PolarHBondContact O-N 2.91Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-T167 WeakPolarHBondContact O-CB 3.1Å; A163-T167 PolarHBondContact O-N 2.81Å; A163-T167 PolarHBondContact O-OG1 3.44Å; A163-V231 HydrophobicContact CB-CG1 4.09Å |
| 164 | C | 96.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.7 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | G160 L161 A166 T167 L168 I232 | G160-C164 PolarHBondContact O-N 2.91Å; G160-C164 PolarHBondContact O-SG 3.1Å; L161-C164 PolarHBondContact O-N 3.46Å; C164-A166 PolarHBondContact O-N 2.85Å; C164-T167 PolarHBondContact O-N 3.14Å; C164-L168 WeakPolarHBondContact O-CG 3.24Å; C164-L168 PolarHBondContact O-N 3.08Å; C164-I232 HydrophobicContact CB-CD1 4.08Å |
| 165 | A | 97 | Very high | 95 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L161 L162 A163 L168 A169 | L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.2Å; L162-A165 PolarHBondContact O-N 3.43Å; A163-A165 PolarHBondContact O-N 2.91Å; A165-L168 PolarHBondContact O-N 3.37Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.77Å |
| 166 | A | 97 | Very high | 95.2 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 49% | 0.488 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L162 A163 C164 A169 L170 | L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.35Å; L162-A166 PolarHBondContact O-N 2.95Å; A163-A166 PolarHBondContact O-N 3.48Å; C164-A166 PolarHBondContact O-N 2.85Å; A166-A169 PolarHBondContact O-N 3.04Å; A166-L170 VanDerWaalsContact O-CB 3.32Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.46Å |
| 167 | T | 96.9 | Very high | 95.2 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | A163 C164 G171 L194 Y224 | A163-T167 WeakPolarHBondContact O-CB 3.1Å; A163-T167 PolarHBondContact O-N 2.81Å; A163-T167 PolarHBondContact O-OG1 3.44Å; C164-T167 PolarHBondContact O-N 3.14Å; T167-G171 PolarHBondContact O-N 2.95Å; T167-G171 VanDerWaalsContact O-N 3.1Å; T167-L194 HydrophobicContact CG2-CD1 3.73Å; T167-Y224 HydrophobicContact CG2-CE2 4.21Å; T167-Y224 WeakPolarHBondContact O-CE2 3.37Å; T167-Y224 PolarHBondContact O-OH 3.28Å |
| 168 | L | 97.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 175.3 | -71.4 | 171.4 | 0 | 0 | 0 | 111.3 | C164 A165 G171 T172 Y187 C190 F191 L194 | C164-L168 WeakPolarHBondContact O-CG 3.24Å; C164-L168 PolarHBondContact O-N 3.08Å; A165-L168 PolarHBondContact O-N 3.37Å; L168-G171 PolarHBondContact O-N 3.45Å; L168-T172 WeakPolarHBondContact O-CB 3.18Å; L168-T172 PolarHBondContact O-N 2.87Å; L168-T172 PolarHBondContact O-OG1 3.2Å; L168-Y187 HydrophobicContact CB-CE2 4.18Å; L168-Y187 HydrophobicContact CD1-CE2 4.22Å; L168-C190 HydrophobicContact CD2-CB 3.97Å; L168-F191 HydrophobicContact CD1-CD2 4.16Å; L168-F191 HydrophobicContact CD2-CB 4.3Å; L168-L194 HydrophobicContact CD2-CD1 4.06Å |
| 169 | A | 97.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 49 Ų | 49 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A165 A166 G171 T172 V173 | A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.77Å; A166-A169 PolarHBondContact O-N 3.04Å; A169-G171 PolarHBondContact O-N 2.86Å; A169-T172 WeakPolarHBondContact O-CB 3.45Å; A169-T172 PolarHBondContact O-N 2.84Å; A169-V173 WeakPolarHBondContact O-CG2 3.49Å; A169-V173 PolarHBondContact O-N 2.83Å |
| 170 | L | 96.5 | Very high | 94.7 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 59% | 0.586 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 177.8 | 179.9 | 64.1 | 0 | 0 | 0 | 111.7 | A166 A174 | A166-L170 VanDerWaalsContact O-CB 3.32Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.46Å; L170-A174 WeakPolarHBondContact O-CB 3.27Å; L170-A174 PolarHBondContact O-N 3.11Å; L170-A174 VanDerWaalsContact O-N 3.17Å |
| 171 | G | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T167 L168 A169 V173 A174 F175 | T167-G171 PolarHBondContact O-N 2.95Å; T167-G171 VanDerWaalsContact O-N 3.1Å; L168-G171 PolarHBondContact O-N 3.45Å; A169-G171 PolarHBondContact O-N 2.86Å; G171-V173 PolarHBondContact O-N 3.47Å; G171-A174 PolarHBondContact O-N 3.31Å; G171-F175 WeakPolarHBondContact O-CD2 3.45Å; G171-F175 PolarHBondContact O-N 3.38Å |
| 172 | T | 96.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.8 | -50 | -179.8 | -58 | 0 | 0 | 0 | 0 | 111.3 | L168 A169 A174 A176 F183 A186 Y187 | L168-T172 WeakPolarHBondContact O-CB 3.18Å; L168-T172 PolarHBondContact O-N 2.87Å; L168-T172 PolarHBondContact O-OG1 3.2Å; A169-T172 WeakPolarHBondContact O-CB 3.45Å; A169-T172 PolarHBondContact O-N 2.84Å; T172-A174 PolarHBondContact O-N 3.34Å; T172-A176 WeakPolarHBondContact O-CB 3.41Å; T172-A176 PolarHBondContact O-N 3.06Å; T172-F183 HydrophobicContact CG2-CD1 3.94Å; T172-F183 VanDerWaalsContact CG2-O 3.29Å; T172-F183 WeakPolarHBondContact CG2-O 3.25Å; T172-A186 HydrophobicContact CG2-CB 4.14Å; T172-A186 WeakPolarHBondContact O-CB 3.34Å; T172-Y187 VanDerWaalsContact OG1-CA 3.31Å; T172-Y187 WeakPolarHBondContact OG1-CA 3.49Å |
| 173 | V | 96.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 179.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A169 G171 H177 F183 | A169-V173 WeakPolarHBondContact O-CG2 3.49Å; A169-V173 PolarHBondContact O-N 2.83Å; G171-V173 PolarHBondContact O-N 3.47Å; V173-H177 WeakPolarHBondContact O-CB 3.15Å; V173-H177 PolarHBondContact O-N 3.02Å; V173-F183 HydrophobicContact CG2-CE1 4.23Å |
| 174 | A | 94.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.9 | -49.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L170 G171 T172 H177 F178 Y220 | L170-A174 WeakPolarHBondContact O-CB 3.27Å; L170-A174 PolarHBondContact O-N 3.11Å; L170-A174 VanDerWaalsContact O-N 3.17Å; G171-A174 PolarHBondContact O-N 3.31Å; T172-A174 PolarHBondContact O-N 3.34Å; A174-H177 PolarHBondContact O-N 3.34Å; A174-F178 HydrophobicContact CB-CD2 4.31Å; A174-F178 HydrophobicContact CB-CE2 4.41Å; A174-F178 WeakPolarHBondContact O-CB 3.34Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 PolarHBondContact O-N 3.29Å; A174-Y220 HydrophobicContact CB-CE1 3.68Å; A174-Y220 WeakPolarHBondContact CB-OH 3.46Å |
| 175 | F | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | -178.5 | -70.2 | -65.7 | 0 | 0 | 0 | 112.4 | G171 H177 F178 E179 A186 Y189 A204 Y217 Y220 Y224 | G171-F175 WeakPolarHBondContact O-CD2 3.45Å; G171-F175 PolarHBondContact O-N 3.38Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.05Å; F175-F178 PolarHBondContact O-N 3Å; F175-E179 WeakPolarHBondContact O-CB 3.48Å; F175-E179 PolarHBondContact O-N 3.46Å; F175-A186 HydrophobicContact CB-CB 4.23Å; F175-Y189 HydrophobicContact CB-CD1 4.49Å; F175-Y189 HydrophobicContact CD1-CE1 4.04Å; F175-Y189 HydrophobicContact CD2-CD1 4.01Å; F175-Y189 AromaticContact CD2-CE1 3.77Å; F175-Y189 HydrophobicContact CD2-CE1 3.77Å; F175-Y189 HydrophobicContact CE1-CE1 4.06Å; F175-Y189 HydrophobicContact CE2-CD1 4.44Å; F175-Y189 AromaticContact CE2-CE1 3.79Å; F175-Y189 HydrophobicContact CE2-CE1 3.79Å; F175-Y189 HydrophobicContact CG-CD1 4.12Å; F175-Y189 AromaticContact CG-CE1 3.92Å; F175-Y189 HydrophobicContact CG-CE1 3.92Å; F175-Y189 AromaticContact CZ-CE1 3.94Å; F175-Y189 HydrophobicContact CZ-CE1 3.94Å; F175-A204 HydrophobicContact CD1-CB 3.93Å; F175-A204 HydrophobicContact CE1-CB 3.66Å; F175-Y217 HydrophobicContact CD1-CE2 4.37Å; F175-Y217 WeakPolarHBondContact CD1-OH 3.1Å; F175-Y217 HydrophobicContact CE1-CE2 4.21Å; F175-Y220 HydrophobicContact CE2-CE1 4.48Å; F175-Y220 HydrophobicContact CZ-CE1 4.2Å; F175-Y224 AromaticContact CE2-CD1 3.53Å; F175-Y224 HydrophobicContact CE2-CD1 3.53Å; F175-Y224 AromaticContact CE2-CE1 3.71Å; F175-Y224 HydrophobicContact CE2-CE1 3.71Å; F175-Y224 AromaticContact CE2-CG 3.98Å; F175-Y224 HydrophobicContact CE2-CG 3.98Å; F175-Y224 AromaticContact CZ-CD1 3.96Å; F175-Y224 HydrophobicContact CZ-CD1 3.96Å; F175-Y224 HydrophobicContact CZ-CG 4.33Å |
| 176 | A | 94.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | T172 G180 W181 F183 A186 | T172-A176 WeakPolarHBondContact O-CB 3.41Å; T172-A176 PolarHBondContact O-N 3.06Å; A176-G180 CarbonylContact O-C 3.59Å; A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.41Å; A176-G180 PolarHBondContact O-N 3.22Å; A176-G180 VanDerWaalsContact O-N 3.14Å; A176-W181 PolarHBondContact O-N 3.42Å; A176-F183 HydrophobicContact CB-CD1 4.49Å; A176-A186 HydrophobicContact CB-CB 3.83Å |
| 177 | H | 91.1 | Very high | 94.8 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 69% | 0.694 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.3 | -45.3 | 178.1 | -179.3 | -88.8 | 0 | 0 | 0 | 113.2 | V173 A174 F175 | V173-H177 WeakPolarHBondContact O-CB 3.15Å; V173-H177 PolarHBondContact O-N 3.02Å; A174-H177 PolarHBondContact O-N 3.34Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.05Å |
| 178 | F | 89.4 | Confident | 94.8 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.2 | -39.7 | -174.5 | -75.8 | -61.7 | 0 | 0 | 0 | 114 | A174 F175 Y217 | A174-F178 HydrophobicContact CB-CD2 4.31Å; A174-F178 HydrophobicContact CB-CE2 4.41Å; A174-F178 WeakPolarHBondContact O-CB 3.34Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 PolarHBondContact O-N 3.29Å; F175-F178 PolarHBondContact O-N 3Å; F178-Y217 HydrophobicContact CB-CD2 3.92Å; F178-Y217 HydrophobicContact CB-CE2 3.44Å; F178-Y217 VanDerWaalsContact CB-CE2 3.44Å; F178-Y217 AromaticContact CD1-CD2 3.92Å; F178-Y217 HydrophobicContact CD1-CD2 3.92Å; F178-Y217 HydrophobicContact CD1-CE2 4.33Å; F178-Y217 HydrophobicContact CD1-CG 4.46Å; F178-Y217 AromaticContact CD2-CD2 3.67Å; F178-Y217 HydrophobicContact CD2-CD2 3.67Å; F178-Y217 AromaticContact CD2-CE2 3.64Å; F178-Y217 HydrophobicContact CD2-CE2 3.64Å; F178-Y217 HydrophobicContact CE1-CD2 4.36Å; F178-Y217 HydrophobicContact CE2-CD2 4.14Å; F178-Y217 HydrophobicContact CE2-CE2 4.48Å; F178-Y217 AromaticContact CG-CD2 3.57Å; F178-Y217 HydrophobicContact CG-CD2 3.57Å; F178-Y217 AromaticContact CG-CE2 3.56Å; F178-Y217 HydrophobicContact CG-CE2 3.56Å; F178-Y217 HydrophobicContact CG-CG 4.45Å; F178-Y217 HydrophobicContact CZ-CD2 4.47Å |
| 179 | E | 88.6 | Confident | 94.8 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -95.8 | -5.6 | -178.2 | -64.9 | -72.7 | 177.8 | 0 | 0 | 112.3 | F175 W181 A204 L205 Y217 | F175-E179 WeakPolarHBondContact O-CB 3.48Å; F175-E179 PolarHBondContact O-N 3.46Å; E179-W181 HydrophobicContact CB-CD2 3.61Å; E179-W181 HydrophobicContact CB-CE3 4.04Å; E179-W181 HydrophobicContact CB-CG 3.96Å; E179-W181 HydrophobicContact CB-CH2 4.32Å; E179-W181 HydrophobicContact CB-CZ2 3.91Å; E179-W181 HydrophobicContact CB-CZ3 4.38Å; E179-W181 HydrophobicContact CG-CD2 4.37Å; E179-W181 HydrophobicContact CG-CE3 4.43Å; E179-W181 HydrophobicContact CG-CH2 4.05Å; E179-W181 HydrophobicContact CG-CZ2 3.96Å; E179-W181 HydrophobicContact CG-CZ3 4.28Å; E179-W181 PolarHBondContact O-N 3.42Å; E179-A204 WeakPolarHBondContact OE1-CA 3.37Å; E179-L205 PolarHBondContact OE1-N 2.93Å; E179-Y217 WeakPolarHBondContact CG-OH 3.33Å; E179-Y217 PolarHBondContact OE1-OH 2.87Å |
| 180 | G | 89.6 | Confident | 94.8 | Very high | 66 Ų | 66 | 60 Ų | 60 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | trans | 68.4 | 18.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A176 | A176-G180 CarbonylContact O-C 3.59Å; A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.41Å; A176-G180 PolarHBondContact O-N 3.22Å; A176-G180 VanDerWaalsContact O-N 3.14Å | ||
| 181 | W | 93.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 20% | 0.201 | 29% | 0.294 | C | S | . | . | trans | -75.7 | 157.2 | 178.2 | -63 | -19.2 | 0 | 0 | 0 | 111.8 | A176 E179 H185 A186 Y189 F202 | A176-W181 PolarHBondContact O-N 3.42Å; E179-W181 HydrophobicContact CB-CD2 3.61Å; E179-W181 HydrophobicContact CB-CE3 4.04Å; E179-W181 HydrophobicContact CB-CG 3.96Å; E179-W181 HydrophobicContact CB-CH2 4.32Å; E179-W181 HydrophobicContact CB-CZ2 3.91Å; E179-W181 HydrophobicContact CB-CZ3 4.38Å; E179-W181 HydrophobicContact CG-CD2 4.37Å; E179-W181 HydrophobicContact CG-CE3 4.43Å; E179-W181 HydrophobicContact CG-CH2 4.05Å; E179-W181 HydrophobicContact CG-CZ2 3.96Å; E179-W181 HydrophobicContact CG-CZ3 4.28Å; E179-W181 PolarHBondContact O-N 3.42Å; W181-H185 HydrophobicContact CB-CB 4.19Å; W181-A186 HydrophobicContact CE3-CB 4.45Å; W181-Y189 HydrophobicContact CH2-CD2 4.31Å; W181-Y189 HydrophobicContact CH2-CG 4.26Å; W181-Y189 AromaticContact CZ3-CD1 3.78Å; W181-Y189 HydrophobicContact CZ3-CD1 3.78Å; W181-Y189 HydrophobicContact CZ3-CD2 4.14Å; W181-Y189 HydrophobicContact CZ3-CE1 4.38Å; W181-Y189 AromaticContact CZ3-CG 3.64Å; W181-Y189 HydrophobicContact CZ3-CG 3.64Å; W181-F202 AromaticContact CD2-CD1 3.96Å; W181-F202 HydrophobicContact CD2-CD1 3.96Å; W181-F202 AromaticContact CE2-CD1 3.8Å; W181-F202 HydrophobicContact CE3-CD1 4.3Å; W181-F202 HydrophobicContact CG-CD1 4.46Å; W181-F202 HydrophobicContact CH2-CB 4.08Å; W181-F202 HydrophobicContact CH2-CD1 4.35Å; W181-F202 HydrophobicContact CZ2-CB 4.4Å; W181-F202 HydrophobicContact CZ2-CD1 4.02Å; W181-F202 HydrophobicContact CZ3-CB 4.35Å; W181-F202 HydrophobicContact CZ3-CD1 4.49Å | ||
| 182 | T | 96.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | trans | -63.7 | 152.9 | 167.8 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | F184 H185 A186 | T182-F184 PolarHBondContact O-N 3.27Å; T182-F184 VanDerWaalsContact O-N 3.15Å; T182-H185 PolarHBondContact O-N 3.38Å; T182-H185 VanDerWaalsContact O-N 3.11Å; T182-H185 PolarHBondContact OG1-CD2 2.93Å; T182-H185 PolarHBondContact OG1-N 3.15Å; T182-A186 PolarHBondContact O-N 3.01Å | ||
| 183 | F | 95.9 | Very high | 94.9 | Very high | 141 Ų | 141 | 58.9 Ų | 58.9 | 62% | 0.618 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.2 | -38.3 | 176.3 | -84.3 | -84.2 | 0 | 0 | 0 | 112.5 | T172 V173 A176 Y187 | T172-F183 HydrophobicContact CG2-CD1 3.94Å; T172-F183 VanDerWaalsContact CG2-O 3.29Å; T172-F183 WeakPolarHBondContact CG2-O 3.25Å; V173-F183 HydrophobicContact CG2-CE1 4.23Å; A176-F183 HydrophobicContact CB-CD1 4.49Å; F183-Y187 VanDerWaalsContact O-CB 3.3Å; F183-Y187 WeakPolarHBondContact O-CB 3.5Å; F183-Y187 PolarHBondContact O-N 3.32Å |
| 184 | F | 96.5 | Very high | 94.9 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 64% | 0.64 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.8 | -47.6 | 178.3 | -179.4 | -98.7 | 0 | 0 | 0 | 112.3 | T182 Y187 Y188 | T182-F184 PolarHBondContact O-N 3.27Å; T182-F184 VanDerWaalsContact O-N 3.15Å; F184-Y187 PolarHBondContact O-N 3.23Å; F184-Y188 WeakPolarHBondContact O-CB 3.35Å; F184-Y188 PolarHBondContact O-N 3.21Å |
| 185 | H | 95.4 | Very high | 95 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 178.2 | -71.7 | -49 | 0 | 0 | 0 | 112.2 | W181 T182 Y188 Y189 F202 | W181-H185 HydrophobicContact CB-CB 4.19Å; T182-H185 PolarHBondContact O-N 3.38Å; T182-H185 VanDerWaalsContact O-N 3.11Å; T182-H185 PolarHBondContact OG1-CD2 2.93Å; T182-H185 PolarHBondContact OG1-N 3.15Å; H185-Y188 PolarHBondContact O-N 3.08Å; H185-Y189 WeakPolarHBondContact O-CB 3.34Å; H185-Y189 PolarHBondContact O-N 3.42Å; H185-F202 HydrophobicContact CB-CD1 4.28Å; H185-F202 HydrophobicContact CB-CE1 3.75Å; H185-F202 HydrophobicContact CB-CZ 3.91Å; H185-F202 AromaticContact CD2-CZ 3.98Å; H185-F202 AromaticContact CE1-CZ 3.67Å; H185-F202 AromaticContact CG-CE1 3.76Å; H185-F202 AromaticContact CG-CZ 3.46Å; H185-F202 VanDerWaalsContact CG-CZ 3.46Å; H185-F202 AromaticContact ND1-CE2 3.59Å; H185-F202 AromaticContact ND1-CZ 3.23Å; H185-F202 WeakPolarHBondContact ND1-CZ 3.48Å |
| 186 | A | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T172 F175 A176 W181 T182 C190 | T172-A186 HydrophobicContact CG2-CB 4.14Å; T172-A186 WeakPolarHBondContact O-CB 3.34Å; F175-A186 HydrophobicContact CB-CB 4.23Å; A176-A186 HydrophobicContact CB-CB 3.83Å; W181-A186 HydrophobicContact CE3-CB 4.45Å; T182-A186 PolarHBondContact O-N 3.01Å; A186-C190 PolarHBondContact O-N 3.35Å; A186-C190 PolarHBondContact O-SG 2.98Å |
| 187 | Y | 97.4 | Very high | 95.1 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 42% | 0.416 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 174.9 | 173.6 | -97.3 | 0 | 0 | 0 | 111.6 | L168 T172 F183 F184 Y189 C190 F191 | L168-Y187 HydrophobicContact CB-CE2 4.18Å; L168-Y187 HydrophobicContact CD1-CE2 4.22Å; T172-Y187 VanDerWaalsContact OG1-CA 3.31Å; T172-Y187 WeakPolarHBondContact OG1-CA 3.49Å; F183-Y187 VanDerWaalsContact O-CB 3.3Å; F183-Y187 WeakPolarHBondContact O-CB 3.5Å; F183-Y187 PolarHBondContact O-N 3.32Å; F184-Y187 PolarHBondContact O-N 3.23Å; Y187-Y189 VanDerWaalsContact C-N 3.34Å; Y187-Y189 PolarHBondContact O-N 3.46Å; Y187-C190 PolarHBondContact O-N 3.48Å; Y187-F191 WeakPolarHBondContact O-CB 3.3Å; Y187-F191 PolarHBondContact O-N 3.39Å |
| 188 | Y | 97.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 176.1 | 169 | -93.6 | 0 | 0 | 0 | 111.3 | F184 H185 C190 F191 I192 F199 D201 F202 | F184-Y188 WeakPolarHBondContact O-CB 3.35Å; F184-Y188 PolarHBondContact O-N 3.21Å; H185-Y188 PolarHBondContact O-N 3.08Å; Y188-C190 PolarHBondContact O-N 3.32Å; Y188-F191 PolarHBondContact O-N 2.86Å; Y188-I192 HydrophobicContact CD1-CG1 4.48Å; Y188-I192 HydrophobicContact CD2-CG1 4.01Å; Y188-I192 HydrophobicContact CE1-CG1 4.18Å; Y188-I192 HydrophobicContact CE2-CD1 4.18Å; Y188-I192 HydrophobicContact CE2-CG1 3.69Å; Y188-I192 HydrophobicContact CG-CG1 4.41Å; Y188-I192 WeakPolarHBondContact O-CB 3.29Å; Y188-I192 WeakPolarHBondContact O-CG1 3.47Å; Y188-I192 PolarHBondContact O-N 3.14Å; Y188-F199 VanDerWaalsContact OH-CD2 3.28Å; Y188-F199 WeakPolarHBondContact OH-CD2 3.35Å; Y188-D201 WeakPolarHBondContact CE1-OD2 3.28Å; Y188-D201 PolarHBondContact OH-OD2 3.19Å; Y188-F202 HydrophobicContact CD1-CD2 4.1Å; Y188-F202 HydrophobicContact CE1-CD2 4.05Å |
| 189 | Y | 96.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.2 | -52.8 | 173.5 | 166.4 | -104.6 | 0 | 0 | 0 | 111.4 | Y93 F175 W181 H185 Y187 F191 I192 T193 F202 A204 | Y93-Y189 HydrophobicContact CE1-CE2 4.2Å; Y93-Y189 AromaticContact CZ-CE2 3.96Å; Y93-Y189 WeakPolarHBondContact OH-CE2 3.27Å; Y93-Y189 PolarHBondContact OH-OH 3.33Å; F175-Y189 HydrophobicContact CB-CD1 4.49Å; F175-Y189 HydrophobicContact CD1-CE1 4.04Å; F175-Y189 HydrophobicContact CD2-CD1 4.01Å; F175-Y189 AromaticContact CD2-CE1 3.77Å; F175-Y189 HydrophobicContact CD2-CE1 3.77Å; F175-Y189 HydrophobicContact CE1-CE1 4.06Å; F175-Y189 HydrophobicContact CE2-CD1 4.44Å; F175-Y189 AromaticContact CE2-CE1 3.79Å; F175-Y189 HydrophobicContact CE2-CE1 3.79Å; F175-Y189 HydrophobicContact CG-CD1 4.12Å; F175-Y189 AromaticContact CG-CE1 3.92Å; F175-Y189 HydrophobicContact CG-CE1 3.92Å; F175-Y189 AromaticContact CZ-CE1 3.94Å; F175-Y189 HydrophobicContact CZ-CE1 3.94Å; W181-Y189 HydrophobicContact CH2-CD2 4.31Å; W181-Y189 HydrophobicContact CH2-CG 4.26Å; W181-Y189 AromaticContact CZ3-CD1 3.78Å; W181-Y189 HydrophobicContact CZ3-CD1 3.78Å; W181-Y189 HydrophobicContact CZ3-CD2 4.14Å; W181-Y189 HydrophobicContact CZ3-CE1 4.38Å; W181-Y189 AromaticContact CZ3-CG 3.64Å; W181-Y189 HydrophobicContact CZ3-CG 3.64Å; H185-Y189 WeakPolarHBondContact O-CB 3.34Å; H185-Y189 PolarHBondContact O-N 3.42Å; Y187-Y189 VanDerWaalsContact C-N 3.34Å; Y187-Y189 PolarHBondContact O-N 3.46Å; Y189-F191 VanDerWaalsContact C-N 3.3Å; Y189-F191 PolarHBondContact O-N 3.48Å; Y189-I192 PolarHBondContact O-N 3.16Å; Y189-T193 VanDerWaalsContact CE2-OG1 3.32Å; Y189-T193 WeakPolarHBondContact CE2-OG1 3.41Å; Y189-T193 WeakPolarHBondContact O-CB 3.37Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 2.97Å; Y189-F202 HydrophobicContact CD2-CB 4.13Å; Y189-F202 VanDerWaalsContact CD2-O 3.27Å; Y189-F202 WeakPolarHBondContact CD2-O 3.44Å; Y189-A204 HydrophobicContact CE1-CB 4.09Å; Y189-A204 HydrophobicContact CE2-CB 4.46Å; Y189-A204 VanDerWaalsContact OH-CB 3.27Å; Y189-A204 WeakPolarHBondContact OH-CB 3.45Å |
| 190 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 180 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | L168 A186 Y187 Y188 L194 Y224 | L168-C190 HydrophobicContact CD2-CB 3.97Å; A186-C190 PolarHBondContact O-N 3.35Å; A186-C190 PolarHBondContact O-SG 2.98Å; Y187-C190 PolarHBondContact O-N 3.48Å; Y188-C190 PolarHBondContact O-N 3.32Å; C190-L194 WeakPolarHBondContact O-CB 3.47Å; C190-L194 VanDerWaalsContact O-CG 3.28Å; C190-L194 WeakPolarHBondContact O-CG 3.47Å; C190-L194 PolarHBondContact O-N 2.67Å; C190-Y224 WeakPolarHBondContact CB-OH 3.43Å |
| 191 | F | 97.4 | Very high | 95.4 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 39% | 0.386 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -52.2 | 179.8 | -174.7 | -91.5 | 0 | 0 | 0 | 111.9 | L168 Y187 Y188 Y189 T193 L194 T195 | L168-F191 HydrophobicContact CD1-CD2 4.16Å; L168-F191 HydrophobicContact CD2-CB 4.3Å; Y187-F191 WeakPolarHBondContact O-CB 3.3Å; Y187-F191 PolarHBondContact O-N 3.39Å; Y188-F191 PolarHBondContact O-N 2.86Å; Y189-F191 VanDerWaalsContact C-N 3.3Å; Y189-F191 PolarHBondContact O-N 3.48Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 2.96Å; F191-L194 PolarHBondContact O-N 3.26Å; F191-T195 HydrophobicContact CD1-CG2 4.36Å; F191-T195 HydrophobicContact CE1-CG2 4.06Å; F191-T195 HydrophobicContact CE2-CG2 4.35Å; F191-T195 HydrophobicContact CZ-CG2 4.05Å; F191-T195 WeakPolarHBondContact O-CB 3.35Å; F191-T195 VanDerWaalsContact O-CG2 3.28Å; F191-T195 WeakPolarHBondContact O-CG2 3.44Å; F191-T195 PolarHBondContact O-N 2.87Å; F191-T195 PolarHBondContact O-OG1 2.93Å |
| 192 | I | 96.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 179.5 | -67.4 | -57.5 | 0 | 0 | 0 | 111.9 | Y188 Y189 T195 T196 I197 G198 F199 | Y188-I192 HydrophobicContact CD1-CG1 4.48Å; Y188-I192 HydrophobicContact CD2-CG1 4.01Å; Y188-I192 HydrophobicContact CE1-CG1 4.18Å; Y188-I192 HydrophobicContact CE2-CD1 4.18Å; Y188-I192 HydrophobicContact CE2-CG1 3.69Å; Y188-I192 HydrophobicContact CG-CG1 4.41Å; Y188-I192 WeakPolarHBondContact O-CB 3.29Å; Y188-I192 WeakPolarHBondContact O-CG1 3.47Å; Y188-I192 PolarHBondContact O-N 3.14Å; Y189-I192 PolarHBondContact O-N 3.16Å; I192-T195 WeakPolarHBondContact CA-OG1 3.12Å; I192-T195 PolarHBondContact O-OG1 3.47Å; I192-T196 PolarHBondContact O-N 3.39Å; I192-I197 HydrophobicContact CD1-CB 4.34Å; I192-I197 HydrophobicContact CD1-CD1 3.92Å; I192-I197 HydrophobicContact CD1-CG2 4.32Å; I192-I197 HydrophobicContact CG2-CB 4.05Å; I192-I197 HydrophobicContact CG2-CG2 4.17Å; I192-I197 PolarHBondContact O-N 3.35Å; I192-G198 PolarHBondContact O-N 2.83Å; I192-G198 VanDerWaalsContact O-N 3.12Å; I192-F199 HydrophobicContact CD1-CD2 3.96Å; I192-F199 HydrophobicContact CD1-CE2 3.65Å; I192-F199 HydrophobicContact CG1-CD2 4.14Å; I192-F199 HydrophobicContact CG1-CE2 4.32Å; I192-F199 HydrophobicContact CG2-CB 4.43Å; I192-F199 HydrophobicContact CG2-CD2 3.79Å; I192-F199 HydrophobicContact CG2-CE2 4.48Å; I192-F199 HydrophobicContact CG2-CG 4.32Å |
| 193 | T | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -54.5 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | I91 Y93 Y189 F191 T195 T196 I225 | I91-T193 HydrophobicContact CD1-CG2 4.17Å; Y93-T193 WeakPolarHBondContact OH-CB 3.4Å; Y93-T193 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T193 PolarHBondContact OH-OG1 3.04Å; Y189-T193 VanDerWaalsContact CE2-OG1 3.32Å; Y189-T193 WeakPolarHBondContact CE2-OG1 3.41Å; Y189-T193 WeakPolarHBondContact O-CB 3.37Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 2.97Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 2.96Å; T193-T195 VanDerWaalsContact C-N 3.29Å; T193-T195 PolarHBondContact O-N 3.25Å; T193-T196 PolarHBondContact O-N 3.09Å; T193-I225 HydrophobicContact CG2-CD1 4.44Å; T193-I225 HydrophobicContact CG2-CG1 3.99Å |
| 194 | L | 96.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.4 | -18 | -173.5 | -64.4 | -173.7 | 0 | 0 | 0 | 113.3 | T167 L168 C190 F191 T196 Y224 L229 I232 | T167-L194 HydrophobicContact CG2-CD1 3.73Å; L168-L194 HydrophobicContact CD2-CD1 4.06Å; C190-L194 WeakPolarHBondContact O-CB 3.47Å; C190-L194 VanDerWaalsContact O-CG 3.28Å; C190-L194 WeakPolarHBondContact O-CG 3.47Å; C190-L194 PolarHBondContact O-N 2.67Å; F191-L194 PolarHBondContact O-N 3.26Å; L194-T196 VanDerWaalsContact C-N 3.25Å; L194-Y224 HydrophobicContact CD1-CE1 4.3Å; L194-Y224 HydrophobicContact CD2-CE1 4.23Å; L194-Y224 HydrophobicContact CG-CE1 4.35Å; L194-L229 HydrophobicContact CD2-CG 4.38Å; L194-L229 WeakPolarHBondContact O-CD2 3.46Å; L194-I232 HydrophobicContact CB-CG1 4.01Å |
| 195 | T | 95.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 1.2 | 168.7 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | F191 I192 T193 I197 | F191-T195 HydrophobicContact CD1-CG2 4.36Å; F191-T195 HydrophobicContact CE1-CG2 4.06Å; F191-T195 HydrophobicContact CE2-CG2 4.35Å; F191-T195 HydrophobicContact CZ-CG2 4.05Å; F191-T195 WeakPolarHBondContact O-CB 3.35Å; F191-T195 VanDerWaalsContact O-CG2 3.28Å; F191-T195 WeakPolarHBondContact O-CG2 3.44Å; F191-T195 PolarHBondContact O-N 2.87Å; F191-T195 PolarHBondContact O-OG1 2.93Å; I192-T195 WeakPolarHBondContact CA-OG1 3.12Å; I192-T195 PolarHBondContact O-OG1 3.47Å; T193-T195 VanDerWaalsContact C-N 3.29Å; T193-T195 PolarHBondContact O-N 3.25Å; T195-I197 PolarHBondContact O-N 3.01Å; T195-I197 WeakPolarHBondContact OG1-CD1 3.28Å |
| 196 | T | 96 | Very high | 92.5 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 32% | 0.319 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 114 | T89 T90 I91 I192 T193 L194 L229 | T89-T196 VanDerWaalsContact O-CG2 3.28Å; T89-T196 WeakPolarHBondContact O-CG2 3.49Å; T90-T196 VanDerWaalsContact O-O 3.1Å; I91-T196 HydrophobicContact CG1-CG2 4.16Å; I192-T196 PolarHBondContact O-N 3.39Å; T193-T196 PolarHBondContact O-N 3.09Å; L194-T196 VanDerWaalsContact C-N 3.25Å; T196-L229 HydrophobicContact CG2-CD2 3.52Å |
| 197 | I | 96.4 | Very high | 90.9 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 42% | 0.415 | 22% | 0.216 | S | C | . | . | trans | -77.5 | -48.5 | 173.8 | -64.6 | 172.5 | 0 | 0 | 0 | 109.5 | I192 T195 F199 | I192-I197 HydrophobicContact CD1-CB 4.34Å; I192-I197 HydrophobicContact CD1-CD1 3.92Å; I192-I197 HydrophobicContact CD1-CG2 4.32Å; I192-I197 HydrophobicContact CG2-CB 4.05Å; I192-I197 HydrophobicContact CG2-CG2 4.17Å; I192-I197 PolarHBondContact O-N 3.35Å; T195-I197 PolarHBondContact O-N 3.01Å; T195-I197 WeakPolarHBondContact OG1-CD1 3.28Å; I197-F199 HydrophobicContact CG2-CD1 3.92Å; I197-F199 HydrophobicContact CG2-CD2 3.99Å; I197-F199 HydrophobicContact CG2-CE1 3.58Å; I197-F199 HydrophobicContact CG2-CE2 3.68Å; I197-F199 HydrophobicContact CG2-CG 4.12Å; I197-F199 HydrophobicContact CG2-CZ 3.46Å; I197-F199 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 198 | G | 94.8 | Very high | 89 | Confident | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | trans | 52.3 | 59.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I91 Y93 I192 G200 | I91-G198 WeakPolarHBondContact O-CA 3.42Å; Y93-G198 VanDerWaalsContact CA-O 3.28Å; Y93-G198 WeakPolarHBondContact CA-O 3.36Å; I192-G198 PolarHBondContact O-N 2.83Å; I192-G198 VanDerWaalsContact O-N 3.12Å; G198-G200 PolarHBondContact O-N 3.1Å | ||
| 199 | F | 91.6 | Very high | 87.3 | Confident | 133 Ų | 133 | 41.1 Ų | 41.1 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | trans | -59.5 | -31.9 | 179.1 | -67.9 | -55.2 | 0 | 0 | 0 | 114.4 | Y188 I192 I197 D201 | Y188-F199 VanDerWaalsContact OH-CD2 3.28Å; Y188-F199 WeakPolarHBondContact OH-CD2 3.35Å; I192-F199 HydrophobicContact CD1-CD2 3.96Å; I192-F199 HydrophobicContact CD1-CE2 3.65Å; I192-F199 HydrophobicContact CG1-CD2 4.14Å; I192-F199 HydrophobicContact CG1-CE2 4.32Å; I192-F199 HydrophobicContact CG2-CB 4.43Å; I192-F199 HydrophobicContact CG2-CD2 3.79Å; I192-F199 HydrophobicContact CG2-CE2 4.48Å; I192-F199 HydrophobicContact CG2-CG 4.32Å; I197-F199 HydrophobicContact CG2-CD1 3.92Å; I197-F199 HydrophobicContact CG2-CD2 3.99Å; I197-F199 HydrophobicContact CG2-CE1 3.58Å; I197-F199 HydrophobicContact CG2-CE2 3.68Å; I197-F199 HydrophobicContact CG2-CG 4.12Å; I197-F199 HydrophobicContact CG2-CZ 3.46Å; I197-F199 VanDerWaalsContact CG2-CZ 3.46Å; F199-D201 VanDerWaalsContact C-N 3.32Å | ||
| 200 | G | 89.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 43 Ų | 43 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 81.9 | 6.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y93 G198 F202 V203 | Y93-G200 VanDerWaalsContact O-CA 3.27Å; Y93-G200 WeakPolarHBondContact O-CA 3.45Å; G198-G200 PolarHBondContact O-N 3.1Å; G200-F202 VanDerWaalsContact C-N 3.33Å; G200-V203 WeakPolarHBondContact O-CG2 3.49Å |
| 201 | D | 89.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -65.2 | -37.4 | 168.2 | 56.5 | -18.6 | 0 | 0 | 0 | 112 | Y188 F199 | Y188-D201 WeakPolarHBondContact CE1-OD2 3.28Å; Y188-D201 PolarHBondContact OH-OD2 3.19Å; F199-D201 VanDerWaalsContact C-N 3.32Å |
| 202 | F | 90.6 | Very high | 82.8 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -118.5 | 126.1 | 166.8 | -70.3 | -92.7 | 0 | 0 | 0 | 109.7 | W181 H185 Y188 Y189 G200 | W181-F202 AromaticContact CD2-CD1 3.96Å; W181-F202 HydrophobicContact CD2-CD1 3.96Å; W181-F202 AromaticContact CE2-CD1 3.8Å; W181-F202 HydrophobicContact CE3-CD1 4.3Å; W181-F202 HydrophobicContact CG-CD1 4.46Å; W181-F202 HydrophobicContact CH2-CB 4.08Å; W181-F202 HydrophobicContact CH2-CD1 4.35Å; W181-F202 HydrophobicContact CZ2-CB 4.4Å; W181-F202 HydrophobicContact CZ2-CD1 4.02Å; W181-F202 HydrophobicContact CZ3-CB 4.35Å; W181-F202 HydrophobicContact CZ3-CD1 4.49Å; H185-F202 HydrophobicContact CB-CD1 4.28Å; H185-F202 HydrophobicContact CB-CE1 3.75Å; H185-F202 HydrophobicContact CB-CZ 3.91Å; H185-F202 AromaticContact CD2-CZ 3.98Å; H185-F202 AromaticContact CE1-CZ 3.67Å; H185-F202 AromaticContact CG-CE1 3.76Å; H185-F202 AromaticContact CG-CZ 3.46Å; H185-F202 VanDerWaalsContact CG-CZ 3.46Å; H185-F202 AromaticContact ND1-CE2 3.59Å; H185-F202 AromaticContact ND1-CZ 3.23Å; H185-F202 WeakPolarHBondContact ND1-CZ 3.48Å; Y188-F202 HydrophobicContact CD1-CD2 4.1Å; Y188-F202 HydrophobicContact CE1-CD2 4.05Å; Y189-F202 HydrophobicContact CD2-CB 4.13Å; Y189-F202 VanDerWaalsContact CD2-O 3.27Å; Y189-F202 WeakPolarHBondContact CD2-O 3.44Å; G200-F202 VanDerWaalsContact C-N 3.33Å |
| 203 | V | 89.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | trans | -138.1 | 120.3 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | Y82 Y93 H95 G200 H206 | Y82-V203 HydrophobicContact CE1-CG1 3.98Å; Y93-V203 HydrophobicContact CD1-CG2 4.15Å; Y93-V203 HydrophobicContact CD2-CG1 4.25Å; Y93-V203 HydrophobicContact CD2-CG2 4.49Å; Y93-V203 HydrophobicContact CG-CG2 3.98Å; H95-V203 HydrophobicContact CB-CG1 4.48Å; H95-V203 HydrophobicContact CB-CG2 4.15Å; G200-V203 WeakPolarHBondContact O-CG2 3.49Å; V203-H206 WeakPolarHBondContact O-CB 3.46Å | ||
| 204 | A | 86.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 151.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y82 F175 E179 Y189 H206 | Y82-A204 PolarHBondContact OH-O 2.82Å; F175-A204 HydrophobicContact CD1-CB 3.93Å; F175-A204 HydrophobicContact CE1-CB 3.66Å; E179-A204 WeakPolarHBondContact OE1-CA 3.37Å; Y189-A204 HydrophobicContact CE1-CB 4.09Å; Y189-A204 HydrophobicContact CE2-CB 4.46Å; Y189-A204 VanDerWaalsContact OH-CB 3.27Å; Y189-A204 WeakPolarHBondContact OH-CB 3.45Å; A204-H206 VanDerWaalsContact C-N 3.25Å; A204-H206 PolarHBondContact O-N 3.18Å |
| 205 | L | 80.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 22.5 | -178.3 | -49.8 | 167.2 | 0 | 0 | 0 | 114.2 | Y82 E179 S207 V210 L211 Y217 V218 F222 | Y82-L205 HydrophobicContact CD2-CD1 4.47Å; Y82-L205 HydrophobicContact CE2-CD1 4.48Å; E179-L205 PolarHBondContact OE1-N 2.93Å; L205-S207 VanDerWaalsContact C-N 3.29Å; L205-S207 PolarHBondContact O-N 3.47Å; L205-V210 HydrophobicContact CD2-CG1 4.41Å; L205-L211 HydrophobicContact CB-CD1 3.94Å; L205-L211 HydrophobicContact CD1-CD1 4.01Å; L205-L211 HydrophobicContact CD2-CD1 4.26Å; L205-L211 HydrophobicContact CG-CD1 4.32Å; L205-Y217 HydrophobicContact CD2-CD1 3.52Å; L205-Y217 HydrophobicContact CD2-CE1 3.38Å; L205-Y217 HydrophobicContact CG-CE1 4.22Å; L205-V218 HydrophobicContact CD1-CG1 4.33Å; L205-V218 HydrophobicContact CD2-CB 4.42Å; L205-V218 HydrophobicContact CD2-CG2 3.81Å; L205-F222 HydrophobicContact CD1-CE1 3.82Å |
| 206 | H | 70.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | trans | -59.6 | -35.2 | -175.8 | -171.5 | 76.5 | 0 | 0 | 0 | 113.9 | T71 Q74 V203 A204 | T71-H206 WeakPolarHBondContact CG2-CE1 3.14Å; T71-H206 VanDerWaalsContact CG2-NE2 3.28Å; T71-H206 WeakPolarHBondContact CG2-NE2 3.11Å; Q74-H206 PolarHBondContact NE2-O 2.86Å; V203-H206 WeakPolarHBondContact O-CB 3.46Å; A204-H206 VanDerWaalsContact C-N 3.25Å; A204-H206 PolarHBondContact O-N 3.18Å | ||
| 207 | S | 61.9 | Low | 79.4 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -87.7 | 118.5 | -178.3 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L205 E209 V210 | L205-S207 VanDerWaalsContact C-N 3.29Å; L205-S207 PolarHBondContact O-N 3.47Å; S207-E209 PolarHBondContact O-N 3.4Å; S207-V210 WeakPolarHBondContact O-CB 3.5Å; S207-V210 PolarHBondContact O-N 3.05Å |
| 208 | G | 57.9 | Low | 79.1 | Confident | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.3 | -21.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | T71 | T71-G208 PolarHBondContact O-N 2.99Å |
| 209 | E | 61.8 | Low | 78.9 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70 | -38 | 172.9 | -129.6 | -166.5 | 122.2 | 0 | 0 | 113.1 | S207 L211 Q212 R213 | S207-E209 PolarHBondContact O-N 3.4Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-Q212 PolarHBondContact O-N 3.24Å; E209-R213 WeakPolarHBondContact O-CB 3.32Å; E209-R213 PolarHBondContact O-N 3.2Å; E209-R213 IonicContact OE1-CZ 3.79Å; E209-R213 IonicContact OE1-NE 2.96Å; E209-R213 IonicContact OE1-NH1 3.82Å; E209-R213 PolarHBondContact OE1-NH1 3.35Å |
| 210 | V | 65.8 | Low | 79 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | -178.7 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L205 S207 Q212 R213 K214 Y217 | L205-V210 HydrophobicContact CD2-CG1 4.41Å; S207-V210 WeakPolarHBondContact O-CB 3.5Å; S207-V210 PolarHBondContact O-N 3.05Å; V210-Q212 PolarHBondContact O-N 3.48Å; V210-R213 PolarHBondContact O-N 2.89Å; V210-K214 PolarHBondContact O-N 3.36Å; V210-K214 VanDerWaalsContact O-N 3.11Å; V210-Y217 HydrophobicContact CG1-CD1 3.93Å; V210-Y217 HydrophobicContact CG1-CE1 4.15Å |
| 211 | L | 65.6 | Low | 79.1 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -27.1 | 178.8 | -154.8 | 74.5 | 0 | 0 | 0 | 112.9 | A78 G79 L205 E209 V218 | A78-L211 HydrophobicContact CB-CD1 4.26Å; A78-L211 HydrophobicContact CB-CD2 3.95Å; A78-L211 HydrophobicContact CB-CG 3.79Å; G79-L211 VanDerWaalsContact N-CD2 3.34Å; L205-L211 HydrophobicContact CB-CD1 3.94Å; L205-L211 HydrophobicContact CD1-CD1 4.01Å; L205-L211 HydrophobicContact CD2-CD1 4.26Å; L205-L211 HydrophobicContact CG-CD1 4.32Å; E209-L211 VanDerWaalsContact C-N 3.34Å; L211-V218 HydrophobicContact CD1-CG1 4.17Å; L211-V218 HydrophobicContact CD1-CG2 4.03Å |
| 212 | Q | 65.5 | Low | 79.3 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -98.3 | -33.2 | 179.8 | -61.8 | -64 | -46.5 | 0 | 0 | 112.6 | K76 E209 V210 | K76-Q212 HydrophobicContact CD-CG 4.35Å; K76-Q212 VanDerWaalsContact CD-NE2 3.3Å; E209-Q212 PolarHBondContact O-N 3.24Å; V210-Q212 PolarHBondContact O-N 3.48Å |
| 213 | R | 71.4 | Confident | 79.5 | Confident | 187 Ų | 187 | 57 Ų | 57 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -84 | -24.4 | -176 | -87 | -173.4 | 154.7 | 169.9 | -11.9 | 115 | E209 V210 | E209-R213 WeakPolarHBondContact O-CB 3.32Å; E209-R213 PolarHBondContact O-N 3.2Å; E209-R213 IonicContact OE1-CZ 3.79Å; E209-R213 IonicContact OE1-NE 2.96Å; E209-R213 IonicContact OE1-NH1 3.82Å; E209-R213 PolarHBondContact OE1-NH1 3.35Å; V210-R213 PolarHBondContact O-N 2.89Å |
| 214 | K | 80.8 | Confident | 79.9 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | trans | -130 | 68.1 | -173.2 | -63.8 | -175.1 | -178.8 | 176.5 | 0 | 113.1 | V210 Y217 V218 | V210-K214 PolarHBondContact O-N 3.36Å; V210-K214 VanDerWaalsContact O-N 3.11Å; K214-Y217 PolarHBondContact O-N 2.94Å; K214-Y217 VanDerWaalsContact O-N 3.09Å; K214-V218 PolarHBondContact O-N 2.8Å | ||
| 215 | P | 82.4 | Confident | 80.3 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -52.4 | -37.4 | 178.3 | 18.7 | -28.3 | 0 | 0 | 0 | 116 | Y217 V218 A219 | P215-Y217 VanDerWaalsContact C-N 3.32Å; P215-Y217 PolarHBondContact O-N 2.78Å; P215-V218 PolarHBondContact O-N 3.47Å; P215-A219 PolarHBondContact O-N 3.49Å |
| 216 | P | 87.4 | Confident | 81 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.5 | -33.2 | 178.3 | 25.2 | -35.3 | 0 | 0 | 0 | 113 | A219 Y220 | P216-A219 PolarHBondContact O-N 3.32Å; P216-Y220 WeakPolarHBondContact O-CB 3.44Å; P216-Y220 PolarHBondContact O-N 3.48Å |
| 217 | Y | 88.8 | Confident | 82.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -39 | 177.4 | 173.9 | -121.1 | 0 | 0 | 0 | 111.9 | F175 F178 E179 L205 V210 K214 P215 Y220 S221 | F175-Y217 HydrophobicContact CD1-CE2 4.37Å; F175-Y217 WeakPolarHBondContact CD1-OH 3.1Å; F175-Y217 HydrophobicContact CE1-CE2 4.21Å; F178-Y217 HydrophobicContact CB-CD2 3.92Å; F178-Y217 HydrophobicContact CB-CE2 3.44Å; F178-Y217 VanDerWaalsContact CB-CE2 3.44Å; F178-Y217 AromaticContact CD1-CD2 3.92Å; F178-Y217 HydrophobicContact CD1-CD2 3.92Å; F178-Y217 HydrophobicContact CD1-CE2 4.33Å; F178-Y217 HydrophobicContact CD1-CG 4.46Å; F178-Y217 AromaticContact CD2-CD2 3.67Å; F178-Y217 HydrophobicContact CD2-CD2 3.67Å; F178-Y217 AromaticContact CD2-CE2 3.64Å; F178-Y217 HydrophobicContact CD2-CE2 3.64Å; F178-Y217 HydrophobicContact CE1-CD2 4.36Å; F178-Y217 HydrophobicContact CE2-CD2 4.14Å; F178-Y217 HydrophobicContact CE2-CE2 4.48Å; F178-Y217 AromaticContact CG-CD2 3.57Å; F178-Y217 HydrophobicContact CG-CD2 3.57Å; F178-Y217 AromaticContact CG-CE2 3.56Å; F178-Y217 HydrophobicContact CG-CE2 3.56Å; F178-Y217 HydrophobicContact CG-CG 4.45Å; F178-Y217 HydrophobicContact CZ-CD2 4.47Å; E179-Y217 WeakPolarHBondContact CG-OH 3.33Å; E179-Y217 PolarHBondContact OE1-OH 2.87Å; L205-Y217 HydrophobicContact CD2-CD1 3.52Å; L205-Y217 HydrophobicContact CD2-CE1 3.38Å; L205-Y217 HydrophobicContact CG-CE1 4.22Å; V210-Y217 HydrophobicContact CG1-CD1 3.93Å; V210-Y217 HydrophobicContact CG1-CE1 4.15Å; K214-Y217 PolarHBondContact O-N 2.94Å; K214-Y217 VanDerWaalsContact O-N 3.09Å; P215-Y217 VanDerWaalsContact C-N 3.32Å; P215-Y217 PolarHBondContact O-N 2.78Å; Y217-Y220 HydrophobicContact CD2-CD1 4.46Å; Y217-Y220 PolarHBondContact O-N 3.16Å; Y217-S221 WeakPolarHBondContact O-CB 3.33Å; Y217-S221 PolarHBondContact O-N 3.24Å; Y217-S221 PolarHBondContact O-OG 3.41Å |
| 218 | V | 88.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | A78 L205 L211 K214 P215 Y220 S221 F222 | A78-V218 HydrophobicContact CB-CG1 4.43Å; L205-V218 HydrophobicContact CD1-CG1 4.33Å; L205-V218 HydrophobicContact CD2-CB 4.42Å; L205-V218 HydrophobicContact CD2-CG2 3.81Å; L211-V218 HydrophobicContact CD1-CG1 4.17Å; L211-V218 HydrophobicContact CD1-CG2 4.03Å; K214-V218 PolarHBondContact O-N 2.8Å; P215-V218 PolarHBondContact O-N 3.47Å; V218-Y220 PolarHBondContact O-N 3.36Å; V218-S221 PolarHBondContact O-N 3.47Å; V218-F222 HydrophobicContact CG1-CD2 4.12Å; V218-F222 HydrophobicContact CG1-CE1 3.95Å; V218-F222 HydrophobicContact CG1-CE2 3.37Å; V218-F222 HydrophobicContact CG1-CZ 3.28Å; V218-F222 WeakPolarHBondContact O-CG 3.5Å; V218-F222 PolarHBondContact O-N 2.94Å |
| 219 | A | 90.9 | Very high | 85.7 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | P215 P216 S221 F222 L223 | P215-A219 PolarHBondContact O-N 3.49Å; P216-A219 PolarHBondContact O-N 3.32Å; A219-S221 VanDerWaalsContact C-N 3.31Å; A219-S221 PolarHBondContact O-N 2.96Å; A219-F222 PolarHBondContact O-N 3.4Å; A219-L223 WeakPolarHBondContact O-CB 3.16Å; A219-L223 VanDerWaalsContact O-CG 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.27Å; A219-L223 PolarHBondContact O-N 2.91Å |
| 220 | Y | 93 | Very high | 87.4 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.2 | -47 | 174 | 171.1 | -94.5 | 0 | 0 | 0 | 111.6 | A174 F175 P216 Y217 V218 F222 L223 Y224 | A174-Y220 HydrophobicContact CB-CE1 3.68Å; A174-Y220 WeakPolarHBondContact CB-OH 3.46Å; F175-Y220 HydrophobicContact CE2-CE1 4.48Å; F175-Y220 HydrophobicContact CZ-CE1 4.2Å; P216-Y220 WeakPolarHBondContact O-CB 3.44Å; P216-Y220 PolarHBondContact O-N 3.48Å; Y217-Y220 HydrophobicContact CD2-CD1 4.46Å; Y217-Y220 PolarHBondContact O-N 3.16Å; V218-Y220 PolarHBondContact O-N 3.36Å; Y220-F222 PolarHBondContact O-N 3.01Å; Y220-L223 PolarHBondContact O-N 3.23Å; Y220-Y224 VanDerWaalsContact O-CB 3.27Å; Y220-Y224 WeakPolarHBondContact O-CB 3.38Å; Y220-Y224 PolarHBondContact O-N 3.5Å |
| 221 | S | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | -178.5 | -58.8 | 0 | 0 | 0 | 0 | 112 | Y217 V218 A219 Y224 I225 | Y217-S221 WeakPolarHBondContact O-CB 3.33Å; Y217-S221 PolarHBondContact O-N 3.24Å; Y217-S221 PolarHBondContact O-OG 3.41Å; V218-S221 PolarHBondContact O-N 3.47Å; A219-S221 VanDerWaalsContact C-N 3.31Å; A219-S221 PolarHBondContact O-N 2.96Å; S221-Y224 PolarHBondContact O-N 2.95Å; S221-I225 WeakPolarHBondContact O-CG1 3.3Å; S221-I225 PolarHBondContact O-N 3.36Å; S221-I225 VanDerWaalsContact O-N 3.08Å |
| 222 | F | 93.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.6 | -60.5 | -15.7 | 0 | 0 | 0 | 111.9 | A78 F81 Y82 I85 L205 V218 A219 Y220 Y224 I225 L226 | A78-F222 WeakPolarHBondContact O-CZ 3.39Å; F81-F222 AromaticContact CD1-CD2 3.61Å; F81-F222 HydrophobicContact CD1-CD2 3.61Å; F81-F222 AromaticContact CD1-CE2 3.47Å; F81-F222 HydrophobicContact CD1-CE2 3.47Å; F81-F222 VanDerWaalsContact CD1-CE2 3.47Å; F81-F222 HydrophobicContact CD1-CG 4.34Å; F81-F222 HydrophobicContact CD1-CZ 4.13Å; F81-F222 AromaticContact CE1-CD2 3.69Å; F81-F222 HydrophobicContact CE1-CD2 3.69Å; F81-F222 HydrophobicContact CE1-CE2 4.06Å; F81-F222 HydrophobicContact CE1-CG 4.3Å; Y82-F222 AromaticContact CD2-CD1 3.82Å; Y82-F222 HydrophobicContact CD2-CD1 3.82Å; Y82-F222 AromaticContact CD2-CE1 3.38Å; Y82-F222 HydrophobicContact CD2-CE1 3.38Å; Y82-F222 HydrophobicContact CD2-CZ 4.46Å; Y82-F222 HydrophobicContact CE2-CE1 4.32Å; Y82-F222 AromaticContact CG-CE1 3.85Å; Y82-F222 HydrophobicContact CG-CE1 3.85Å; I85-F222 HydrophobicContact CD1-CB 4.03Å; I85-F222 HydrophobicContact CD1-CD1 4.13Å; I85-F222 HydrophobicContact CD1-CD2 4.47Å; I85-F222 HydrophobicContact CD1-CG 3.96Å; L205-F222 HydrophobicContact CD1-CE1 3.82Å; V218-F222 HydrophobicContact CG1-CD2 4.12Å; V218-F222 HydrophobicContact CG1-CE1 3.95Å; V218-F222 HydrophobicContact CG1-CE2 3.37Å; V218-F222 HydrophobicContact CG1-CZ 3.28Å; V218-F222 WeakPolarHBondContact O-CG 3.5Å; V218-F222 PolarHBondContact O-N 2.94Å; A219-F222 PolarHBondContact O-N 3.4Å; Y220-F222 PolarHBondContact O-N 3.01Å; F222-Y224 VanDerWaalsContact C-N 3.32Å; F222-Y224 PolarHBondContact O-N 3.03Å; F222-I225 PolarHBondContact O-N 3.09Å; F222-L226 WeakPolarHBondContact O-CG 3.29Å; F222-L226 PolarHBondContact O-N 3.46Å |
| 223 | L | 94.6 | Very high | 91.6 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 62% | 0.623 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 177.5 | -70.8 | 173.4 | 0 | 0 | 0 | 111.6 | A219 Y220 L226 L227 | A219-L223 WeakPolarHBondContact O-CB 3.16Å; A219-L223 VanDerWaalsContact O-CG 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.27Å; A219-L223 PolarHBondContact O-N 2.91Å; Y220-L223 PolarHBondContact O-N 3.23Å; L223-L226 PolarHBondContact O-N 3.18Å; L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 PolarHBondContact O-N 3.27Å |
| 224 | Y | 96.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.2 | 176.4 | -95.2 | 0 | 0 | 0 | 111.5 | T167 F175 C190 L194 Y220 S221 F222 G228 | T167-Y224 HydrophobicContact CG2-CE2 4.21Å; T167-Y224 WeakPolarHBondContact O-CE2 3.37Å; T167-Y224 PolarHBondContact O-OH 3.28Å; F175-Y224 AromaticContact CE2-CD1 3.53Å; F175-Y224 HydrophobicContact CE2-CD1 3.53Å; F175-Y224 AromaticContact CE2-CE1 3.71Å; F175-Y224 HydrophobicContact CE2-CE1 3.71Å; F175-Y224 AromaticContact CE2-CG 3.98Å; F175-Y224 HydrophobicContact CE2-CG 3.98Å; F175-Y224 AromaticContact CZ-CD1 3.96Å; F175-Y224 HydrophobicContact CZ-CD1 3.96Å; F175-Y224 HydrophobicContact CZ-CG 4.33Å; C190-Y224 WeakPolarHBondContact CB-OH 3.43Å; L194-Y224 HydrophobicContact CD1-CE1 4.3Å; L194-Y224 HydrophobicContact CD2-CE1 4.23Å; L194-Y224 HydrophobicContact CG-CE1 4.35Å; Y220-Y224 VanDerWaalsContact O-CB 3.27Å; Y220-Y224 WeakPolarHBondContact O-CB 3.38Å; Y220-Y224 PolarHBondContact O-N 3.5Å; S221-Y224 PolarHBondContact O-N 2.95Å; F222-Y224 VanDerWaalsContact C-N 3.32Å; F222-Y224 PolarHBondContact O-N 3.03Å; Y224-G228 WeakPolarHBondContact O-CA 3.37Å; Y224-G228 PolarHBondContact O-N 3.03Å |
| 225 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 179.5 | -68.1 | 168.2 | 0 | 0 | 0 | 110.3 | Y82 I85 I91 T193 S221 F222 G228 L229 | Y82-I225 HydrophobicContact CE2-CD1 3.76Å; I85-I225 HydrophobicContact CG2-CG2 4.12Å; I91-I225 HydrophobicContact CD1-CG2 3.66Å; T193-I225 HydrophobicContact CG2-CD1 4.44Å; T193-I225 HydrophobicContact CG2-CG1 3.99Å; S221-I225 WeakPolarHBondContact O-CG1 3.3Å; S221-I225 PolarHBondContact O-N 3.36Å; S221-I225 VanDerWaalsContact O-N 3.08Å; F222-I225 PolarHBondContact O-N 3.09Å; I225-G228 PolarHBondContact O-N 3.41Å; I225-L229 HydrophobicContact CG2-CD1 3.88Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CB 3.37Å; I225-L229 VanDerWaalsContact O-CG 3.25Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 3.46Å |
| 226 | L | 95.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -177.6 | -67.3 | 173.6 | 0 | 0 | 0 | 112.6 | I85 F122 F222 L223 T230 | I85-L226 HydrophobicContact CG2-CD2 4.38Å; F122-L226 HydrophobicContact CZ-CD2 4.5Å; F222-L226 WeakPolarHBondContact O-CG 3.29Å; F222-L226 PolarHBondContact O-N 3.46Å; L223-L226 PolarHBondContact O-N 3.18Å; L226-T230 WeakPolarHBondContact O-CB 3.32Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 VanDerWaalsContact O-N 3.1Å; L226-T230 PolarHBondContact O-OG1 3.02Å |
| 227 | L | 96 | Very high | 94 | Very high | 112 Ų | 112 | 33.6 Ų | 33.6 | 59% | 0.586 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -69 | -42.9 | 177.7 | -179.2 | 63.5 | 0 | 0 | 0 | 111.2 | L223 T230 V231 | L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 PolarHBondContact O-N 3.27Å; L227-T230 WeakPolarHBondContact O-CA 3.35Å; L227-T230 WeakPolarHBondContact O-CB 3.35Å; L227-T230 PolarHBondContact O-N 3.19Å; L227-T230 VanDerWaalsContact O-N 3.14Å; L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 3.32Å |
| 228 | G | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y224 I225 T230 V231 I232 | Y224-G228 WeakPolarHBondContact O-CA 3.37Å; Y224-G228 PolarHBondContact O-N 3.03Å; I225-G228 PolarHBondContact O-N 3.41Å; G228-T230 VanDerWaalsContact C-N 3.25Å; G228-T230 PolarHBondContact O-N 3.36Å; G228-V231 WeakPolarHBondContact O-CB 3.36Å; G228-V231 PolarHBondContact O-N 3.3Å; G228-V231 VanDerWaalsContact O-N 3.09Å; G228-I232 WeakPolarHBondContact O-CG1 3.32Å; G228-I232 PolarHBondContact O-N 2.9Å |
| 229 | L | 95.9 | Very high | 94 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -34.6 | 173.3 | -72.7 | 174.2 | 0 | 0 | 0 | 112.1 | T89 I91 F122 L194 T196 I225 I232 S233 | T89-L229 HydrophobicContact CG2-CD1 3.59Å; I91-L229 HydrophobicContact CD1-CD1 4.24Å; F122-L229 HydrophobicContact CE1-CB 3.99Å; F122-L229 HydrophobicContact CE2-CB 3.94Å; F122-L229 HydrophobicContact CE2-CD1 3.91Å; F122-L229 HydrophobicContact CZ-CB 3.6Å; F122-L229 HydrophobicContact CZ-CD1 3.75Å; F122-L229 HydrophobicContact CZ-CG 4.35Å; L194-L229 HydrophobicContact CD2-CG 4.38Å; L194-L229 WeakPolarHBondContact O-CD2 3.46Å; T196-L229 HydrophobicContact CG2-CD2 3.52Å; I225-L229 HydrophobicContact CG2-CD1 3.88Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CB 3.37Å; I225-L229 VanDerWaalsContact O-CG 3.25Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 3.46Å; L229-I232 PolarHBondContact O-N 2.94Å; L229-S233 WeakPolarHBondContact O-CB 3.38Å; L229-S233 PolarHBondContact O-N 3.3Å |
| 230 | T | 96.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 173.6 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L125 L129 L226 L227 G228 A234 | L125-T230 HydrophobicContact CB-CG2 3.66Å; L129-T230 HydrophobicContact CD2-CG2 4.27Å; L226-T230 WeakPolarHBondContact O-CB 3.32Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 VanDerWaalsContact O-N 3.1Å; L226-T230 PolarHBondContact O-OG1 3.02Å; L227-T230 WeakPolarHBondContact O-CA 3.35Å; L227-T230 WeakPolarHBondContact O-CB 3.35Å; L227-T230 PolarHBondContact O-N 3.19Å; L227-T230 VanDerWaalsContact O-N 3.14Å; G228-T230 VanDerWaalsContact C-N 3.25Å; G228-T230 PolarHBondContact O-N 3.36Å; T230-A234 WeakPolarHBondContact O-CB 3.39Å; T230-A234 PolarHBondContact O-N 2.93Å |
| 231 | V | 96.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111 | L129 A163 L227 G228 S233 A234 F235 | L129-V231 HydrophobicContact CD2-CB 4.49Å; L129-V231 HydrophobicContact CD2-CG2 3.92Å; A163-V231 HydrophobicContact CB-CG1 4.09Å; L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 3.32Å; G228-V231 WeakPolarHBondContact O-CB 3.36Å; G228-V231 PolarHBondContact O-N 3.3Å; G228-V231 VanDerWaalsContact O-N 3.09Å; V231-S233 VanDerWaalsContact C-N 3.35Å; V231-S233 PolarHBondContact O-N 3.17Å; V231-A234 WeakPolarHBondContact O-CB 3.4Å; V231-A234 PolarHBondContact O-N 3.39Å; V231-F235 PolarHBondContact O-N 3.22Å |
| 232 | I | 95.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.5 | -61.7 | -51.2 | 0 | 0 | 0 | 110.5 | C164 L194 G228 L229 A234 F235 L236 | C164-I232 HydrophobicContact CB-CD1 4.08Å; L194-I232 HydrophobicContact CB-CG1 4.01Å; G228-I232 WeakPolarHBondContact O-CG1 3.32Å; G228-I232 PolarHBondContact O-N 2.9Å; L229-I232 PolarHBondContact O-N 2.94Å; I232-A234 VanDerWaalsContact C-N 3.35Å; I232-A234 PolarHBondContact O-N 2.83Å; I232-F235 PolarHBondContact O-N 2.76Å; I232-L236 HydrophobicContact CG2-CD1 3.95Å; I232-L236 HydrophobicContact CG2-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CB 3.01Å; I232-L236 WeakPolarHBondContact O-CG 3.44Å; I232-L236 PolarHBondContact O-N 3.49Å |
| 233 | S | 93.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | F122 L229 V231 F235 L236 N237 | F122-S233 PolarHBondContact O-OG 3.32Å; L229-S233 WeakPolarHBondContact O-CB 3.38Å; L229-S233 PolarHBondContact O-N 3.3Å; V231-S233 VanDerWaalsContact C-N 3.35Å; V231-S233 PolarHBondContact O-N 3.17Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.27Å; S233-L236 PolarHBondContact O-N 3.48Å; S233-N237 VanDerWaalsContact O-CB 3.24Å; S233-N237 WeakPolarHBondContact O-CB 3.44Å; S233-N237 PolarHBondContact O-N 2.95Å |
| 234 | A | 94.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L129 N130 T230 V231 I232 L238 | L129-A234 HydrophobicContact CB-CB 4.23Å; L129-A234 HydrophobicContact CD2-CB 3.92Å; L129-A234 HydrophobicContact CG-CB 4.34Å; N130-A234 PolarHBondContact ND2-O 3.05Å; T230-A234 WeakPolarHBondContact O-CB 3.39Å; T230-A234 PolarHBondContact O-N 2.93Å; V231-A234 WeakPolarHBondContact O-CB 3.4Å; V231-A234 PolarHBondContact O-N 3.39Å; I232-A234 VanDerWaalsContact C-N 3.35Å; I232-A234 PolarHBondContact O-N 2.83Å; A234-L238 PolarHBondContact O-N 3.32Å; A234-L238 VanDerWaalsContact O-N 3.16Å |
| 235 | F | 94.8 | Very high | 89.7 | Confident | 42 Ų | 42 | 52 Ų | 52 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -48 | 176.9 | 179.2 | -108.5 | 0 | 0 | 0 | 112.1 | V157 L161 V231 I232 S233 N237 L238 V239 | V157-F235 HydrophobicContact CG1-CE2 4.39Å; L161-F235 HydrophobicContact CD2-CE1 4.12Å; L161-F235 HydrophobicContact CD2-CE2 3.74Å; L161-F235 HydrophobicContact CD2-CZ 3.4Å; L161-F235 VanDerWaalsContact CD2-CZ 3.4Å; L161-F235 HydrophobicContact CG-CE2 3.73Å; L161-F235 HydrophobicContact CG-CZ 3.9Å; V231-F235 PolarHBondContact O-N 3.22Å; I232-F235 PolarHBondContact O-N 2.76Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.27Å; F235-N237 VanDerWaalsContact C-N 3.32Å; F235-N237 PolarHBondContact O-N 3.14Å; F235-L238 WeakPolarHBondContact O-CB 3.46Å; F235-L238 PolarHBondContact O-N 2.89Å; F235-V239 HydrophobicContact CD2-CG2 4.42Å; F235-V239 HydrophobicContact CE1-CG2 4.06Å; F235-V239 HydrophobicContact CE2-CG2 3.94Å; F235-V239 HydrophobicContact CZ-CG2 3.74Å; F235-V239 WeakPolarHBondContact O-CG2 3.4Å; F235-V239 PolarHBondContact O-N 2.9Å; F235-V239 VanDerWaalsContact O-N 3.08Å |
| 236 | L | 92.3 | Very high | 88.7 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.6 | -70.8 | 177.9 | 0 | 0 | 0 | 111.2 | I232 S233 L238 V239 V240 | I232-L236 HydrophobicContact CG2-CD1 3.95Å; I232-L236 HydrophobicContact CG2-CG 4.2Å; I232-L236 WeakPolarHBondContact O-CB 3.01Å; I232-L236 WeakPolarHBondContact O-CG 3.44Å; I232-L236 PolarHBondContact O-N 3.49Å; S233-L236 PolarHBondContact O-N 3.48Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 2.94Å; L236-V239 PolarHBondContact O-N 3.5Å; L236-V240 VanDerWaalsContact O-CB 3.23Å; L236-V240 WeakPolarHBondContact O-CB 3.33Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.87Å |
| 237 | N | 90.3 | Very high | 87.5 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 177.3 | -170 | 32 | 0 | 0 | 0 | 111.5 | E127 S233 F235 V239 L241 | E127-N237 WeakPolarHBondContact CG-ND2 3.36Å; S233-N237 VanDerWaalsContact O-CB 3.24Å; S233-N237 WeakPolarHBondContact O-CB 3.44Å; S233-N237 PolarHBondContact O-N 2.95Å; F235-N237 VanDerWaalsContact C-N 3.32Å; F235-N237 PolarHBondContact O-N 3.14Å; N237-V239 PolarHBondContact O-N 3.27Å; N237-L241 WeakPolarHBondContact O-CB 3.45Å; N237-L241 WeakPolarHBondContact O-CD1 3.33Å; N237-L241 WeakPolarHBondContact O-CG 3.27Å; N237-L241 PolarHBondContact O-N 3.43Å; N237-L241 WeakPolarHBondContact OD1-CD1 3.43Å; N237-L241 WeakPolarHBondContact OD1-CG 3.43Å |
| 238 | L | 88.9 | Confident | 86 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.9 | -176.8 | 70.4 | 0 | 0 | 0 | 112.3 | L156 V157 A234 F235 L236 R242 | L156-L238 HydrophobicContact CB-CD1 4.32Å; L156-L238 HydrophobicContact CB-CD2 3.8Å; L156-L238 HydrophobicContact CD1-CD1 4.46Å; V157-L238 HydrophobicContact CB-CD2 4.41Å; V157-L238 HydrophobicContact CG2-CD2 3.76Å; V157-L238 HydrophobicContact CG2-CG 4.36Å; A234-L238 PolarHBondContact O-N 3.32Å; A234-L238 VanDerWaalsContact O-N 3.16Å; F235-L238 WeakPolarHBondContact O-CB 3.46Å; F235-L238 PolarHBondContact O-N 2.89Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 2.94Å; L238-R242 PolarHBondContact O-N 2.91Å |
| 239 | V | 88.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.8 | -45.3 | -177.8 | 175 | 0 | 0 | 0 | 0 | 111.4 | F235 L236 N237 R242 F243 | F235-V239 HydrophobicContact CD2-CG2 4.42Å; F235-V239 HydrophobicContact CE1-CG2 4.06Å; F235-V239 HydrophobicContact CE2-CG2 3.94Å; F235-V239 HydrophobicContact CZ-CG2 3.74Å; F235-V239 WeakPolarHBondContact O-CG2 3.4Å; F235-V239 PolarHBondContact O-N 2.9Å; F235-V239 VanDerWaalsContact O-N 3.08Å; L236-V239 PolarHBondContact O-N 3.5Å; N237-V239 PolarHBondContact O-N 3.27Å; V239-R242 WeakPolarHBondContact O-CB 3.48Å; V239-R242 PolarHBondContact O-N 2.88Å; V239-F243 PolarHBondContact O-N 3.32Å |
| 240 | V | 85.4 | Confident | 82.5 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | -180 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L236 R242 F243 L244 | L236-V240 VanDerWaalsContact O-CB 3.23Å; L236-V240 WeakPolarHBondContact O-CB 3.33Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.87Å; V240-R242 VanDerWaalsContact C-N 3.25Å; V240-R242 PolarHBondContact O-N 3.38Å; V240-F243 PolarHBondContact O-N 2.89Å; V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 HydrophobicContact CG1-CG 4.06Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 WeakPolarHBondContact O-CG 3.45Å; V240-L244 PolarHBondContact O-N 3.48Å |
| 241 | L | 75.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 175.4 | -74 | 172 | 0 | 0 | 0 | 111.8 | N237 A245 | N237-L241 WeakPolarHBondContact O-CB 3.45Å; N237-L241 WeakPolarHBondContact O-CD1 3.33Å; N237-L241 WeakPolarHBondContact O-CG 3.27Å; N237-L241 PolarHBondContact O-N 3.43Å; N237-L241 WeakPolarHBondContact OD1-CD1 3.43Å; N237-L241 WeakPolarHBondContact OD1-CG 3.43Å; L241-A245 VanDerWaalsContact O-CB 3.28Å; L241-A245 WeakPolarHBondContact O-CB 3.43Å; L241-A245 PolarHBondContact O-N 3.38Å |
| 242 | R | 80.8 | Confident | 79.1 | Confident | 148 Ų | 148 | 66.9 Ų | 66.9 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 174.8 | -178.1 | -179.1 | 179.7 | 174.2 | 1.2 | 111.6 | L238 V239 V240 A246 | L238-R242 PolarHBondContact O-N 2.91Å; V239-R242 WeakPolarHBondContact O-CB 3.48Å; V239-R242 PolarHBondContact O-N 2.88Å; V240-R242 VanDerWaalsContact C-N 3.25Å; V240-R242 PolarHBondContact O-N 3.38Å; R242-A246 WeakPolarHBondContact O-CB 3.4Å; R242-A246 PolarHBondContact O-N 2.81Å |
| 243 | F | 79.2 | Confident | 77.2 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 179 | -174.8 | -95.3 | 0 | 0 | 0 | 111.9 | V239 V240 A246 S247 | V239-F243 PolarHBondContact O-N 3.32Å; V240-F243 PolarHBondContact O-N 2.89Å; F243-A246 PolarHBondContact O-N 3.5Å; F243-S247 WeakPolarHBondContact O-CB 3.49Å; F243-S247 PolarHBondContact O-N 3.01Å |
| 244 | L | 77.9 | Confident | 75.6 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 49% | 0.492 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.8 | -68.8 | 177.1 | 0 | 0 | 0 | 111.3 | V240 A246 S247 A248 | V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 HydrophobicContact CG1-CG 4.06Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 WeakPolarHBondContact O-CG 3.45Å; V240-L244 PolarHBondContact O-N 3.48Å; L244-A246 PolarHBondContact O-N 3Å; L244-S247 WeakPolarHBondContact O-CB 3.5Å; L244-S247 PolarHBondContact O-N 2.9Å; L244-S247 VanDerWaalsContact O-N 3.14Å; L244-S247 PolarHBondContact O-OG 2.92Å; L244-A248 PolarHBondContact O-N 3.08Å |
| 245 | A | 74.4 | Confident | 74 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L241 S247 A248 D249 | L241-A245 VanDerWaalsContact O-CB 3.28Å; L241-A245 WeakPolarHBondContact O-CB 3.43Å; L241-A245 PolarHBondContact O-N 3.38Å; A245-S247 PolarHBondContact O-N 3.17Å; A245-A248 PolarHBondContact O-N 2.91Å; A245-D249 PolarHBondContact O-N 3.4Å; A245-D249 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 73.5 | Confident | 72.3 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R242 F243 L244 | R242-A246 WeakPolarHBondContact O-CB 3.4Å; R242-A246 PolarHBondContact O-N 2.81Å; F243-A246 PolarHBondContact O-N 3.5Å; L244-A246 PolarHBondContact O-N 3Å |
| 247 | S | 70.6 | Confident | 70.3 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 176.9 | 81.8 | 0 | 0 | 0 | 0 | 112.7 | F243 L244 A245 | F243-S247 WeakPolarHBondContact O-CB 3.49Å; F243-S247 PolarHBondContact O-N 3.01Å; L244-S247 WeakPolarHBondContact O-CB 3.5Å; L244-S247 PolarHBondContact O-N 2.9Å; L244-S247 VanDerWaalsContact O-N 3.14Å; L244-S247 PolarHBondContact O-OG 2.92Å; A245-S247 PolarHBondContact O-N 3.17Å |
| 248 | A | 65.4 | Low | 68.6 | Low | 62 Ų | 62 | 91.9 Ų | 91.9 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.9 | -31.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L244 A245 W250 P251 | L244-A248 PolarHBondContact O-N 3.08Å; A245-A248 PolarHBondContact O-N 2.91Å; A248-W250 PolarHBondContact O-N 3.38Å; A248-P251 WeakPolarHBondContact O-CD 3.42Å; A248-P251 VanDerWaalsContact O-CG 3.26Å; A248-P251 WeakPolarHBondContact O-CG 3.27Å |
| 249 | D | 60.1 | Low | 67.1 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -18.1 | 178.8 | -73.8 | -10.9 | 0 | 0 | 0 | 114.4 | A245 E252 R253 | A245-D249 PolarHBondContact O-N 3.4Å; A245-D249 VanDerWaalsContact O-N 3.09Å; D249-E252 PolarHBondContact O-N 3.35Å; D249-R253 PolarHBondContact O-N 2.84Å; D249-R253 VanDerWaalsContact O-N 3.11Å; D249-R253 IonicContact OD2-CZ 3.89Å; D249-R253 IonicContact OD2-NH1 2.82Å; D249-R253 PolarHBondContact OD2-NH1 2.85Å; D249-R253 IonicContact OD2-NH2 3.6Å |
| 250 | W | 58.5 | Low | 65.6 | Low | 87 Ų | 87 | 98 Ų | 98 | 33% | 0.33 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | -173.4 | -176.9 | -109.8 | 0 | 0 | 0 | 115.3 | R7 A248 E252 R253 A254 | R7-W250 VanDerWaalsContact CZ-CD1 3.47Å; R7-W250 VanDerWaalsContact CZ-CG 3.43Å; R7-W250 VanDerWaalsContact NH2-CB 3.33Å; R7-W250 VanDerWaalsContact NH2-CE3 3.3Å; A248-W250 PolarHBondContact O-N 3.38Å; W250-E252 VanDerWaalsContact C-N 3.29Å; W250-E252 PolarHBondContact O-N 3.46Å; W250-R253 PolarHBondContact O-N 3.43Å; W250-A254 WeakPolarHBondContact O-CB 3.45Å; W250-A254 PolarHBondContact O-N 3.44Å |
| 251 | P | 60.3 | Low | 63.9 | Low | 83 Ų | 83 | 106.2 Ų | 106.2 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.8 | -40.3 | 174.9 | 17.4 | -31.7 | 0 | 0 | 0 | 112.9 | A248 A254 A255 | A248-P251 WeakPolarHBondContact O-CD 3.42Å; A248-P251 VanDerWaalsContact O-CG 3.26Å; A248-P251 WeakPolarHBondContact O-CG 3.27Å; P251-A254 PolarHBondContact O-N 3.47Å; P251-A255 PolarHBondContact O-N 3.48Å |
| 252 | E | 60.3 | Low | 62.5 | Low | 123 Ų | 123 | 113 Ų | 113 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.4 | -42.2 | 179.1 | -68.9 | -166.4 | 173 | 0 | 0 | 113 | D249 W250 A254 A255 R256 | D249-E252 PolarHBondContact O-N 3.35Å; W250-E252 VanDerWaalsContact C-N 3.29Å; W250-E252 PolarHBondContact O-N 3.46Å; E252-A254 VanDerWaalsContact C-N 3.27Å; E252-A254 PolarHBondContact O-N 3.35Å; E252-A255 PolarHBondContact O-N 3.13Å; E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.35Å; E252-R256 VanDerWaalsContact O-N 3.13Å |
| 253 | R | 57.1 | Low | 60.8 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -32 | 174.9 | -73.1 | -169.2 | -74 | -103.9 | 0.2 | 112.3 | D249 W250 | D249-R253 PolarHBondContact O-N 2.84Å; D249-R253 VanDerWaalsContact O-N 3.11Å; D249-R253 IonicContact OD2-CZ 3.89Å; D249-R253 IonicContact OD2-NH1 2.82Å; D249-R253 PolarHBondContact OD2-NH1 2.85Å; D249-R253 IonicContact OD2-NH2 3.6Å; W250-R253 PolarHBondContact O-N 3.43Å |
| 254 | A | 60.1 | Low | 59.5 | Low | 38 Ų | 38 | 110.2 Ų | 110.2 | 31% | 0.314 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.7 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W250 P251 E252 | W250-A254 WeakPolarHBondContact O-CB 3.45Å; W250-A254 PolarHBondContact O-N 3.44Å; P251-A254 PolarHBondContact O-N 3.47Å; E252-A254 VanDerWaalsContact C-N 3.27Å; E252-A254 PolarHBondContact O-N 3.35Å |
| 255 | A | 61.3 | Low | 57.7 | Low | 87 Ų | 87 | 110.1 Ų | 110.1 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.8 | -26.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P251 E252 | P251-A255 PolarHBondContact O-N 3.48Å; E252-A255 PolarHBondContact O-N 3.13Å |
| 256 | R | 57.3 | Low | 56.1 | Low | 190 Ų | 190 | 113.7 Ų | 113.7 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 0.9 | 177.7 | -67.8 | 179.3 | -167.6 | -107.3 | 3.6 | 114.7 | E252 P258 | E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.35Å; E252-R256 VanDerWaalsContact O-N 3.13Å; R256-P258 WeakPolarHBondContact O-CD 3.32Å |
| 257 | R | 50.5 | Low | 54.6 | Low | 170 Ų | 170 | 119.9 Ų | 119.9 | 64% | 0.642 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -66.7 | 124.6 | 174.1 | -72.4 | -169.6 | 177.8 | -148.3 | -1.9 | 108.7 | S259 | R257-S259 PolarHBondContact O-N 3.19Š|
| 258 | P | 54.8 | Low | 53.1 | Low | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.5 | 175.2 | -20.1 | 30 | 0 | 0 | 0 | 109.1 | R256 | R256-P258 WeakPolarHBondContact O-CD 3.32Š|
| 259 | S | 58.4 | Low | 52 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53 | 136.5 | 166.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | R257 R261 | R257-S259 PolarHBondContact O-N 3.19Å; S259-R261 PolarHBondContact O-N 3.18Å |
| 260 | P | 56.1 | Low | 50.9 | Low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 122.3 | 173 | -20 | 29.7 | 0 | 0 | 0 | 108.4 | R262 | P260-R262 PolarHBondContact O-N 3.46Š|
| 261 | R | 50.3 | Low | 50.2 | Low | 243 Ų | 243 | 132.7 Ų | 132.7 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 117.7 | 172.5 | -87.1 | -179.6 | 170 | 168 | -4.1 | 107.2 | S259 P263 | S259-R261 PolarHBondContact O-N 3.18Å; R261-P263 WeakPolarHBondContact O-CD 3.42Å |
| 262 | R | 45.3 | Very low | 49.3 | Very low | 232 Ų | 232 | 141 Ų | 141 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57 | 123.4 | 169 | -75.9 | -174.7 | 174.6 | -172.9 | -1.7 | 107.5 | P260 G264 | P260-R262 PolarHBondContact O-N 3.46Å; R262-G264 PolarHBondContact O-N 3.12Å |
| 263 | P | 45.7 | Very low | 48.2 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -69 | 122.7 | 169.6 | -9.3 | 24.8 | 0 | 0 | 0 | 107.9 | R261 | R261-P263 WeakPolarHBondContact O-CD 3.42Š|
| 264 | G | 51.8 | Low | 47.3 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 111.5 | 53.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R262 | R262-G264 PolarHBondContact O-N 3.12Š| ||
| 265 | A | 39.1 | Very low | 46.2 | Very low | 93 Ų | 93 | 152.3 Ų | 152.3 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -101.7 | 127.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 266 | P | 42.3 | Very low | 44.8 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -70 | 139.1 | -177.4 | 28.2 | -32.4 | 0 | 0 | 0 | 111 | S268 | P266-S268 PolarHBondContact O-N 3.06Å; P266-S268 VanDerWaalsContact O-N 3.1Å | ||
| 267 | E | 42.2 | Very low | 43.7 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -78.1 | 88.2 | -176.4 | -150.3 | 178.1 | 173.8 | 0 | 0 | 109.8 | R269 | E267-R269 PolarHBondContact O-N 3.5Š| ||
| 268 | S | 38.1 | Very low | 43 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -79.6 | 100.8 | 172.7 | 63.1 | 0 | 0 | 0 | 0 | 110 | P266 G270 | P266-S268 PolarHBondContact O-N 3.06Å; P266-S268 VanDerWaalsContact O-N 3.1Å; S268-G270 PolarHBondContact O-N 3.02Å | ||
| 269 | R | 41.8 | Very low | 41.9 | Very low | 235 Ų | 235 | 153.1 Ų | 153.1 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -65.7 | 118.1 | 167.5 | -71.8 | -177.6 | 176.2 | -167.3 | -0.4 | 109.6 | E267 | E267-R269 PolarHBondContact O-N 3.5Š| ||
| 270 | G | 38.3 | Very low | 40.8 | Very low | 65 Ų | 65 | 153.9 Ų | 153.9 | 67% | 0.67 | 84% | 0.838 | S | S | * | * | trans | -132.6 | 155.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | S268 | S268-G270 PolarHBondContact O-N 3.02Š| ||
| 271 | P | 43.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | trans | -79.7 | 155.7 | -150 | -11.7 | 28.3 | 0 | 0 | 0 | 115.2 | L273 | P271-L273 PolarHBondContact O-N 2.94Š| ||
| 272 | W | 40.5 | Very low | 38.7 | Very low | 256 Ų | 256 | 144.3 Ų | 144.3 | 97% | 0.97 | 84% | 0.836 | S | S | * | * | trans | -45 | 113.9 | 176 | -61.6 | 87.6 | 0 | 0 | 0 | 114.2 | ||||
| 273 | L | 38.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -106.4 | 140.5 | 160.2 | -79.9 | 160.6 | 0 | 0 | 0 | 109.1 | P271 | P271-L273 PolarHBondContact O-N 2.94Š| ||
| 274 | P | 37.7 | Very low | 38 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.9 | -169.1 | 26.2 | -31.7 | 0 | 0 | 0 | 112.8 | R276 | P274-R276 PolarHBondContact O-N 3.33Š|
| 275 | R | 36.8 | Very low | 37.5 | Very low | 249 Ų | 249 | 136.5 Ų | 136.5 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 120.7 | 178.1 | -72.7 | 178.1 | 170.2 | -168.3 | -2.5 | 111.3 | ||
| 276 | R | 31.4 | Very low | 37.5 | Very low | 237 Ų | 237 | 136.8 Ų | 136.8 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.6 | 158.4 | -74.9 | -172.8 | 174.9 | -167.6 | -1.1 | 109.6 | P274 | P274-R276 PolarHBondContact O-N 3.33Š|
| 277 | P | 34.4 | Very low | 37.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145 | -178.1 | 28.7 | -32.5 | 0 | 0 | 0 | 111.2 | S279 | P277-S279 PolarHBondContact O-N 2.85Š|
| 278 | A | 36.5 | Very low | 37.5 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 110.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | S | 31.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -84 | 126.4 | 157.7 | 54.2 | 0 | 0 | 0 | 0 | 108.6 | P277 G281 | P277-S279 PolarHBondContact O-N 2.85Å; S279-G281 PolarHBondContact O-N 3.41Å | ||
| 280 | S | 34.2 | Very low | 37.6 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -48.3 | 113.9 | 176.8 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | G282 | S280-G282 PolarHBondContact O-N 3.26Š| ||
| 281 | G | 31.4 | Very low | 37.8 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 102.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S279 | S279-G281 PolarHBondContact O-N 3.41Š| ||
| 282 | G | 31.4 | Very low | 38.1 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -68 | 130 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S280 | S280-G282 PolarHBondContact O-N 3.26Š| ||
| 283 | S | 35 | Very low | 38.3 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -41.2 | 137.3 | 173.3 | -75.6 | 0 | 0 | 0 | 0 | 114 | S285 | S283-S285 PolarHBondContact O-N 3.05Š| ||
| 284 | A | 42.1 | Very low | 38.6 | Very low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 35.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 285 | S | 40.8 | Very low | 39 | Very low | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -3.5 | 170.4 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | S283 | S283-S285 PolarHBondContact O-N 3.05Š|
| 286 | V | 40.2 | Very low | 39.5 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 61% | 0.606 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -82.1 | -21 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | V288 C290 | V286-V288 PolarHBondContact O-N 3.39Å; V286-C290 WeakPolarHBondContact O-CB 3.47Å; V286-C290 PolarHBondContact O-N 3.02Å |
| 287 | S | 40.1 | Very low | 40.2 | Very low | 86 Ų | 86 | 103 Ų | 103 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.2 | -23.4 | -169.4 | -155 | 0 | 0 | 0 | 0 | 115.1 | ||
| 288 | V | 42.5 | Very low | 40.5 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -88.1 | -38.5 | 178 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V286 C290 H291 V292 | V286-V288 PolarHBondContact O-N 3.39Å; V288-C290 VanDerWaalsContact C-N 3.34Å; V288-C290 PolarHBondContact O-N 2.93Å; V288-H291 PolarHBondContact O-N 3.34Å; V288-V292 WeakPolarHBondContact O-CG2 3.39Å; V288-V292 PolarHBondContact O-N 2.81Å; V288-V292 VanDerWaalsContact O-N 3.16Å |
| 289 | S | 41.1 | Very low | 40.9 | Very low | 85 Ų | 85 | 105.1 Ų | 105.1 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.6 | -36.1 | 175.8 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | H291 H293 | S289-H291 PolarHBondContact O-N 3.42Å; S289-H293 VanDerWaalsContact O-CB 3.3Å; S289-H293 WeakPolarHBondContact O-CB 3.36Å; S289-H293 PolarHBondContact O-N 2.88Å |
| 290 | C | 41.3 | Very low | 41.6 | Very low | 66 Ų | 66 | 109 Ų | 109 | 45% | 0.446 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.9 | -33.9 | 176.4 | -154.6 | 0 | 0 | 0 | 0 | 112.6 | V286 V288 Q294 | V286-C290 WeakPolarHBondContact O-CB 3.47Å; V286-C290 PolarHBondContact O-N 3.02Å; V288-C290 VanDerWaalsContact C-N 3.34Å; V288-C290 PolarHBondContact O-N 2.93Å; C290-Q294 WeakPolarHBondContact O-CB 3.45Å; C290-Q294 WeakPolarHBondContact O-CG 3.28Å; C290-Q294 PolarHBondContact O-N 3.09Å |
| 291 | H | 42 | Very low | 42 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.8 | -38.4 | 177 | -104.1 | -39 | 0 | 0 | 0 | 113.4 | V288 S289 Q294 L295 | V288-H291 PolarHBondContact O-N 3.34Å; S289-H291 PolarHBondContact O-N 3.42Å; H291-Q294 PolarHBondContact O-N 2.96Å; H291-L295 PolarHBondContact O-N 2.89Å |
| 292 | V | 49.7 | Very low | 42.4 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 53% | 0.527 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.8 | -40.2 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | V288 Q294 L295 E296 | V288-V292 WeakPolarHBondContact O-CG2 3.39Å; V288-V292 PolarHBondContact O-N 2.81Å; V288-V292 VanDerWaalsContact O-N 3.16Å; V292-Q294 PolarHBondContact O-N 3.13Å; V292-L295 PolarHBondContact O-N 3.26Å; V292-E296 PolarHBondContact O-N 3.14Å |
| 293 | H | 45.1 | Very low | 43.2 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 43% | 0.431 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70 | -29.2 | 176.6 | -160.3 | -37.1 | 0 | 0 | 0 | 112.9 | S289 R297 | S289-H293 VanDerWaalsContact O-CB 3.3Å; S289-H293 WeakPolarHBondContact O-CB 3.36Å; S289-H293 PolarHBondContact O-N 2.88Å; H293-R297 PolarHBondContact CE1-NE 3.12Å; H293-R297 VanDerWaalsContact CE1-NE 3.35Å; H293-R297 PolarHBondContact CE1-NH2 3.04Å; H293-R297 PolarHBondContact ND1-NE 2.87Å; H293-R297 PolarHBondContact O-N 3.16Å |
| 294 | Q | 45.6 | Very low | 43.7 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.1 | -34.7 | 171.9 | -84.6 | -171.1 | -10.4 | 0 | 0 | 112.9 | C290 H291 V292 R297 R298 | C290-Q294 WeakPolarHBondContact O-CB 3.45Å; C290-Q294 WeakPolarHBondContact O-CG 3.28Å; C290-Q294 PolarHBondContact O-N 3.09Å; H291-Q294 PolarHBondContact O-N 2.96Å; V292-Q294 PolarHBondContact O-N 3.13Å; Q294-R297 PolarHBondContact O-N 3.36Å; Q294-R298 PolarHBondContact O-N 3.37Å |
| 295 | L | 46.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | 173.7 | -80.2 | 161.3 | 0 | 0 | 0 | 111.7 | H291 V292 R298 A299 | H291-L295 PolarHBondContact O-N 2.89Å; V292-L295 PolarHBondContact O-N 3.26Å; L295-R298 PolarHBondContact O-N 3.44Å; L295-A299 WeakPolarHBondContact O-CB 3.48Å; L295-A299 PolarHBondContact O-N 3.22Å |
| 296 | E | 47 | Very low | 43.2 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 55% | 0.547 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.7 | -33.8 | 173.8 | -103.8 | -176.2 | 148.7 | 0 | 0 | 113.6 | V292 R300 | V292-E296 PolarHBondContact O-N 3.14Å; E296-R300 PolarHBondContact O-N 2.96Å |
| 297 | R | 44.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.9 | -42.5 | 173.1 | -76 | -176 | -161.1 | -122.9 | 0.7 | 111.8 | H293 Q294 A299 R300 D301 | H293-R297 PolarHBondContact CE1-NE 3.12Å; H293-R297 VanDerWaalsContact CE1-NE 3.35Å; H293-R297 PolarHBondContact CE1-NH2 3.04Å; H293-R297 PolarHBondContact ND1-NE 2.87Å; H293-R297 PolarHBondContact O-N 3.16Å; Q294-R297 PolarHBondContact O-N 3.36Å; R297-A299 VanDerWaalsContact C-N 3.26Å; R297-A299 PolarHBondContact O-N 2.98Å; R297-R300 PolarHBondContact O-N 3.2Å; R297-D301 PolarHBondContact O-N 3.26Å |
| 298 | R | 41 | Very low | 43.1 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 74% | 0.74 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.7 | -30 | 174.7 | -90.5 | -175.8 | 177.2 | -175.8 | -0.7 | 113.6 | Q294 L295 R300 | Q294-R298 PolarHBondContact O-N 3.37Å; L295-R298 PolarHBondContact O-N 3.44Å; R298-R300 VanDerWaalsContact C-N 3.33Å |
| 299 | A | 46.4 | Very low | 42.8 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.7 | -22.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L295 R297 | L295-A299 WeakPolarHBondContact O-CB 3.48Å; L295-A299 PolarHBondContact O-N 3.22Å; R297-A299 VanDerWaalsContact C-N 3.26Å; R297-A299 PolarHBondContact O-N 2.98Å |
| 300 | R | 44.8 | Very low | 42.3 | Very low | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -85.3 | -21.3 | 179.5 | -145 | -178.8 | -78 | -179.3 | -4.8 | 113 | E296 R297 R298 | E296-R300 PolarHBondContact O-N 2.96Å; R297-R300 PolarHBondContact O-N 3.2Å; R298-R300 VanDerWaalsContact C-N 3.33Å |
| 301 | D | 44.6 | Very low | 42.2 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -99.5 | -3.8 | -176.5 | -63.5 | -24.7 | 0 | 0 | 0 | 114.3 | R297 L303 | R297-D301 PolarHBondContact O-N 3.26Å; D301-L303 PolarHBondContact O-N 3.33Å |
| 302 | N | 39.1 | Very low | 41.7 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -89.9 | 80.7 | 174.2 | -93.8 | -20 | 0 | 0 | 0 | 111.3 | G304 | N302-G304 PolarHBondContact O-N 3.32Š| ||
| 303 | L | 48.7 | Very low | 40.8 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 93% | 0.927 | 73% | 0.732 | S | S | * | * | trans | -75.7 | 107.5 | 161.7 | -80.6 | 162.8 | 0 | 0 | 0 | 109.2 | D301 | D301-L303 PolarHBondContact O-N 3.33Š| ||
| 304 | G | 45.8 | Very low | 40.2 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | 175.6 | 49.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N302 | N302-G304 PolarHBondContact O-N 3.32Š| ||
| 305 | F | 33.4 | Very low | 39.5 | Very low | 212 Ų | 212 | 132.4 Ų | 132.4 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -155.3 | 103.2 | 157.4 | -119 | -84.8 | 0 | 0 | 0 | 109 | ||||
| 306 | S | 38.9 | Very low | 38.7 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 133.8 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 307 | P | 42.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 152.9 | 170.4 | 31.4 | -31.2 | 0 | 0 | 0 | 111.1 | ||
| 308 | P | 35.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 132.6 | 178.9 | 29 | -31.5 | 0 | 0 | 0 | 111.3 | ||
| 309 | S | 34.6 | Very low | 37 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 132.8 | 179.3 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 310 | S | 31.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159.7 | 166.1 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 311 | P | 39 | Very low | 36.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 136.1 | -153 | 33.6 | -32.4 | 0 | 0 | 0 | 113.7 | ||
| 312 | G | 30.5 | Very low | 35.9 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 131.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 313 | V | 31.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 144.6 | 170.6 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 314 | V | 32.2 | Very low | 35.3 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | 169.6 | 125.3 | 123.3 | 160.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 315 | S | 30.4 | Very low | 34.9 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | 48.1 | 124.5 | 148 | -66.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 316 | G | 29.8 | Very low | 35.2 | Very low | 85 Ų | 85 | 135 Ų | 135 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | 109.3 | 94.5 | 104.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 317 | G | 30 | Very low | 35.5 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -178.7 | 97.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 318 | Q | 30.5 | Very low | 35.7 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -44.6 | 154.2 | 163.8 | -80.1 | 166.3 | -10.2 | 0 | 0 | 112.7 | ||||
| 319 | A | 37.3 | Very low | 36.3 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | cis | -166.8 | -152.8 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 320 | P | 42.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 85% | 0.848 | S | S | * | * | -110.4 | 163.6 | -95.8 | 36.7 | -22.3 | 0 | 0 | 0 | 113.2 | |||||
| 321 | R | 33.8 | Very low | 36.6 | Very low | 253 Ų | 253 | 144.2 Ų | 144.2 | 96% | 0.955 | 85% | 0.851 | S | S | * | * | trans | -167.9 | 105.6 | 143.9 | -104.5 | 158.2 | -161.4 | -142.6 | 5.9 | 111.8 | ||||
| 322 | L | 34.6 | Very low | 36.4 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 96% | 0.958 | 85% | 0.85 | S | S | * | * | trans | -66.2 | 139.6 | 161.1 | -83 | 140 | 0 | 0 | 0 | 109.9 | ||||
| 323 | G | 35.9 | Very low | 36.8 | Very low | 81 Ų | 81 | 148.8 Ų | 148.8 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | 163.5 | 73.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 324 | A | 39.3 | Very low | 37.1 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 87% | 0.868 | 85% | 0.854 | S | S | * | * | trans | -148.1 | 97.8 | 155 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 325 | R | 37.6 | Very low | 37.4 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 82% | 0.819 | 86% | 0.861 | S | S | * | * | trans | -70.7 | 121.7 | 176.4 | -165.4 | -175.6 | -165 | -154.5 | 7.8 | 108.9 | ||||
| 326 | R | 39.6 | Very low | 37.9 | Very low | 250 Ų | 250 | 153.5 Ų | 153.5 | 94% | 0.943 | 86% | 0.863 | S | S | * | * | trans | -120.1 | 104.3 | 159.2 | -140 | -179.9 | -165.2 | -132.9 | 3.7 | 107.6 | ||||
| 327 | K | 45.8 | Very low | 38.6 | Very low | 158 Ų | 158 | 158.8 Ų | 158.8 | 69% | 0.687 | 86% | 0.862 | S | S | * | * | trans | -84.1 | 130.6 | 162 | -81.8 | -173.2 | 172.2 | -169.6 | 0 | 106.6 | ||||
| 328 | S | 47.1 | Very low | 39.3 | Very low | 108 Ų | 108 | 165.3 Ų | 165.3 | 76% | 0.755 | 87% | 0.865 | S | S | * | * | 64.4 | 129.9 | 95 | -147.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 329 | I | 46.8 | Very low | 40.1 | Very low | 230 Ų | 230 | 162.4 Ų | 162.4 | 100% | 1.179 | 86% | 0.86 | S | S | * | * | cis | -151.1 | 0 | 42.8 | -71.4 | 164.1 | 0 | 0 | 0 | 107.5 |
Retrieved 329 of 329 residues in 366.8 ms
(Link to these results)