| 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 | 41.4 | Very low | 72.9 | Confident | 252 Ų | 252 | 92.5 Ų | 92.5 | 100% | 1.241 | 54% | 0.542 | S | S | * | . | 0 | 87.3 | 0 | -75.3 | 168.8 | 170.6 | 0 | 0 | 108.6 | |||||
| 2 | G | 46.4 | Very low | 74.3 | Confident | 79 Ų | 79 | 85.8 Ų | 85.8 | 81% | 0.814 | 51% | 0.506 | S | S | * | . | trans | -90.6 | 112.9 | -180 | 0 | 0 | 0 | 0 | 0 | 110 | N4 | G2-N4 PolarHBondContact O-N 3.27Å; G2-N4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | C | 51.1 | Low | 75.6 | Confident | 117 Ų | 117 | 79.5 Ų | 79.5 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | trans | -62.9 | 111.6 | 171.2 | -163.1 | 0 | 0 | 0 | 0 | 108.2 | R5 | C3-R5 PolarHBondContact O-N 3.43Å; C3-R5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | N | 75.9 | Confident | 76.8 | Confident | 104 Ų | 104 | 80.8 Ų | 80.8 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | trans | -62.5 | 113 | 179.9 | -170.3 | -7.1 | 0 | 0 | 0 | 108 | G2 N6 C7 G8 | G2-N4 PolarHBondContact O-N 3.27Å; G2-N4 VanDerWaalsContact O-N 3.08Å; N4-N6 PolarHBondContact O-N 2.7Å; N4-C7 HydrophobicContact CB-CB 4.11Å; N4-C7 WeakPolarHBondContact O-CA 3.1Å; N4-C7 WeakPolarHBondContact O-CB 3.41Å; N4-C7 PolarHBondContact O-N 3.11Å; N4-G8 PolarHBondContact O-N 3.31Å | ||
| 5 | R | 76.4 | Confident | 77.9 | Confident | 153 Ų | 153 | 81.5 Ų | 81.5 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -48.9 | -36.4 | -173.7 | -172.1 | 178.5 | 73.1 | -175.9 | 2.1 | 113.4 | C3 C7 G8 L9 | C3-R5 PolarHBondContact O-N 3.43Å; C3-R5 VanDerWaalsContact O-N 3.09Å; R5-C7 VanDerWaalsContact C-N 3.33Å; R5-G8 PolarHBondContact O-N 3.48Å; R5-L9 WeakPolarHBondContact O-CG 3.13Å; R5-L9 PolarHBondContact O-N 2.97Å; R5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | N | 80 | Confident | 78.8 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 19% | 0.187 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 176.5 | -72.5 | -0.8 | 0 | 0 | 0 | 112.7 | N4 L10 Y462 | N4-N6 PolarHBondContact O-N 2.7Å; N6-L10 WeakPolarHBondContact O-CB 3.5Å; N6-L10 PolarHBondContact O-N 3Å; N6-L10 VanDerWaalsContact O-N 3.07Å; N6-Y462 HydrophobicContact CB-CE2 4.14Å |
| 7 | C | 81.8 | Confident | 79.6 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 48% | 0.48 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.1 | -154.7 | 0 | 0 | 0 | 0 | 110.3 | N4 R5 L9 L10 T11 | N4-C7 HydrophobicContact CB-CB 4.11Å; N4-C7 WeakPolarHBondContact O-CA 3.1Å; N4-C7 WeakPolarHBondContact O-CB 3.41Å; N4-C7 PolarHBondContact O-N 3.11Å; R5-C7 VanDerWaalsContact C-N 3.33Å; C7-L9 PolarHBondContact O-N 3.24Å; C7-L10 PolarHBondContact O-N 3.25Å; C7-T11 WeakPolarHBondContact O-CB 3.18Å; C7-T11 PolarHBondContact O-N 2.97Å; C7-T11 PolarHBondContact O-OG1 3.2Å |
| 8 | G | 83.6 | Confident | 80.4 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 34% | 0.34 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N4 R5 T11 G12 | N4-G8 PolarHBondContact O-N 3.31Å; R5-G8 PolarHBondContact O-N 3.48Å; G8-T11 PolarHBondContact O-N 3.37Å; G8-G12 PolarHBondContact O-N 3.43Å |
| 9 | L | 87.5 | Confident | 81.1 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 13% | 0.131 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.2 | -68.6 | 172.3 | 0 | 0 | 0 | 112.1 | R5 C7 G12 A13 F458 Y462 C465 | R5-L9 WeakPolarHBondContact O-CG 3.13Å; R5-L9 PolarHBondContact O-N 2.97Å; R5-L9 VanDerWaalsContact O-N 3.11Å; C7-L9 PolarHBondContact O-N 3.24Å; L9-G12 PolarHBondContact O-N 3.12Å; L9-A13 PolarHBondContact O-N 3.13Å; L9-A13 VanDerWaalsContact O-N 3.09Å; L9-F458 HydrophobicContact CD2-CD1 3.76Å; L9-F458 HydrophobicContact CD2-CE1 4.19Å; L9-Y462 HydrophobicContact CB-CD2 4.25Å; L9-C465 HydrophobicContact CD1-CB 4.17Å |
| 10 | L | 88.4 | Confident | 81.6 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 41% | 0.408 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 176.9 | -161 | 75.9 | 0 | 0 | 0 | 111.4 | N6 C7 G12 A13 I14 Y462 | N6-L10 WeakPolarHBondContact O-CB 3.5Å; N6-L10 PolarHBondContact O-N 3Å; N6-L10 VanDerWaalsContact O-N 3.07Å; C7-L10 PolarHBondContact O-N 3.25Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.89Å; L10-A13 PolarHBondContact O-N 3.28Å; L10-I14 HydrophobicContact CG-CD1 4.31Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 3.45Å; L10-Y462 HydrophobicContact CD1-CE2 4.47Å |
| 11 | T | 89.8 | Confident | 82.2 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | C7 G8 A13 I14 I15 | C7-T11 WeakPolarHBondContact O-CB 3.18Å; C7-T11 PolarHBondContact O-N 2.97Å; C7-T11 PolarHBondContact O-OG1 3.2Å; G8-T11 PolarHBondContact O-N 3.37Å; T11-A13 VanDerWaalsContact C-N 3.35Å; T11-A13 PolarHBondContact O-N 3.07Å; T11-I14 PolarHBondContact O-N 3.36Å; T11-I15 HydrophobicContact CG2-CD1 3.98Å; T11-I15 VanDerWaalsContact O-CG1 3.29Å; T11-I15 WeakPolarHBondContact O-CG1 3.43Å; T11-I15 PolarHBondContact O-N 3.21Å |
| 12 | G | 89.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G8 L9 L10 I15 G16 | G8-G12 PolarHBondContact O-N 3.43Å; L9-G12 PolarHBondContact O-N 3.12Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.89Å; G12-I15 PolarHBondContact O-N 3.33Å; G12-G16 PolarHBondContact O-N 2.89Å |
| 13 | A | 91.2 | Very high | 86.6 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L9 L10 T11 I15 G16 A17 F455 F458 M459 | L9-A13 PolarHBondContact O-N 3.13Å; L9-A13 VanDerWaalsContact O-N 3.09Å; L10-A13 PolarHBondContact O-N 3.28Å; T11-A13 VanDerWaalsContact C-N 3.35Å; T11-A13 PolarHBondContact O-N 3.07Å; A13-I15 VanDerWaalsContact C-N 3.34Å; A13-I15 PolarHBondContact O-N 3.09Å; A13-G16 PolarHBondContact O-N 3.4Å; A13-A17 PolarHBondContact O-N 3.11Å; A13-F455 HydrophobicContact CB-CD2 4.23Å; A13-F455 WeakPolarHBondContact O-CD2 3.22Å; A13-F458 HydrophobicContact CB-CB 3.99Å; A13-M459 HydrophobicContact CB-CG 3.83Å; A13-M459 HydrophobicContact CB-SD 3.74Å |
| 14 | I | 92.6 | Very high | 88.4 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.5 | -68.3 | 164.3 | 0 | 0 | 0 | 110.7 | L10 T11 G16 A17 V18 | L10-I14 HydrophobicContact CG-CD1 4.31Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 3.45Å; T11-I14 PolarHBondContact O-N 3.36Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 3.02Å; I14-A17 PolarHBondContact O-N 2.87Å; I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CB 3.39Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 2.94Å |
| 15 | I | 92.8 | Very high | 89.1 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.5 | -68.1 | 165.8 | 0 | 0 | 0 | 110.6 | T11 G12 A13 A17 V18 L19 | T11-I15 HydrophobicContact CG2-CD1 3.98Å; T11-I15 VanDerWaalsContact O-CG1 3.29Å; T11-I15 WeakPolarHBondContact O-CG1 3.43Å; T11-I15 PolarHBondContact O-N 3.21Å; G12-I15 PolarHBondContact O-N 3.33Å; A13-I15 VanDerWaalsContact C-N 3.34Å; A13-I15 PolarHBondContact O-N 3.09Å; I15-A17 PolarHBondContact O-N 3.32Å; I15-V18 PolarHBondContact O-N 3.46Å; I15-L19 HydrophobicContact CG2-CD1 4.07Å; I15-L19 HydrophobicContact CG2-CG 4.49Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.29Å |
| 16 | G | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G12 A13 I14 L19 A20 G451 | G12-G16 PolarHBondContact O-N 2.89Å; A13-G16 PolarHBondContact O-N 3.4Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 3.02Å; G16-L19 PolarHBondContact O-N 3.27Å; G16-A20 PolarHBondContact O-N 2.92Å; G16-G451 CarbonylContact C-O 3.33Å; G16-G451 WeakPolarHBondContact CA-O 3.41Å; G16-G451 CarbonylContact O-C 3.53Å; G16-G451 VanDerWaalsContact O-CA 3.25Å; G16-G451 WeakPolarHBondContact O-CA 3.39Å; G16-G451 VanDerWaalsContact O-O 3.14Å |
| 17 | A | 92.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A13 I14 I15 L19 A20 I21 F455 | A13-A17 PolarHBondContact O-N 3.11Å; I14-A17 PolarHBondContact O-N 2.87Å; I15-A17 PolarHBondContact O-N 3.32Å; A17-L19 PolarHBondContact O-N 3.48Å; A17-A20 PolarHBondContact O-N 2.91Å; A17-I21 WeakPolarHBondContact O-CB 3.35Å; A17-I21 WeakPolarHBondContact O-CD1 3.22Å; A17-I21 WeakPolarHBondContact O-CG1 3.49Å; A17-I21 PolarHBondContact O-N 3.46Å; A17-F455 HydrophobicContact CB-CD2 3.81Å; A17-F455 HydrophobicContact CB-CE2 4.18Å |
| 18 | V | 93.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 177.6 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | I14 I15 I21 F22 | I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CB 3.39Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 2.94Å; I15-V18 PolarHBondContact O-N 3.46Å; V18-I21 PolarHBondContact O-N 3.45Å; V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.42Å; V18-F22 PolarHBondContact O-N 3.45Å |
| 19 | L | 92.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.4 | -72.8 | 172 | 0 | 0 | 0 | 112.2 | I15 G16 A17 F22 G23 L447 L454 | I15-L19 HydrophobicContact CG2-CD1 4.07Å; I15-L19 HydrophobicContact CG2-CG 4.49Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.29Å; G16-L19 PolarHBondContact O-N 3.27Å; A17-L19 PolarHBondContact O-N 3.48Å; L19-F22 PolarHBondContact O-N 2.88Å; L19-G23 PolarHBondContact O-N 3.24Å; L19-L447 HydrophobicContact CD2-CD2 4.08Å; L19-L454 HydrophobicContact CD1-CD1 4.09Å |
| 20 | A | 92.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G16 A17 G23 G24 | G16-A20 PolarHBondContact O-N 2.92Å; A17-A20 PolarHBondContact O-N 2.91Å; A20-G23 PolarHBondContact O-N 2.75Å; A20-G24 PolarHBondContact O-N 3.08Å |
| 21 | I | 92.5 | Very high | 89.8 | Confident | 106 Ų | 106 | 54.1 Ų | 54.1 | 54% | 0.544 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.1 | -69.2 | 165.4 | 0 | 0 | 0 | 110.4 | A17 V18 G24 I25 | A17-I21 WeakPolarHBondContact O-CB 3.35Å; A17-I21 WeakPolarHBondContact O-CD1 3.22Å; A17-I21 WeakPolarHBondContact O-CG1 3.49Å; A17-I21 PolarHBondContact O-N 3.46Å; V18-I21 PolarHBondContact O-N 3.45Å; I21-G24 PolarHBondContact O-N 3.02Å; I21-I25 HydrophobicContact CG2-CD1 3.76Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 2.93Å |
| 22 | F | 90.9 | Very high | 89.7 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.4 | -174.2 | -107.6 | 0 | 0 | 0 | 111.8 | V18 L19 G24 I25 L26 L447 | V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.42Å; V18-F22 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 2.88Å; F22-G24 VanDerWaalsContact C-N 3.3Å; F22-G24 PolarHBondContact O-N 2.96Å; F22-I25 PolarHBondContact O-N 3.42Å; F22-L26 WeakPolarHBondContact O-CB 3.29Å; F22-L26 PolarHBondContact O-N 3.45Å; F22-L447 HydrophobicContact CD1-CD1 3.92Å; F22-L447 HydrophobicContact CE1-CD1 4.2Å |
| 23 | G | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L19 A20 L26 I27 | L19-G23 PolarHBondContact O-N 3.24Å; A20-G23 PolarHBondContact O-N 2.75Å; G23-L26 PolarHBondContact O-N 3.09Å; G23-I27 PolarHBondContact O-N 3.37Å |
| 24 | G | 89.1 | Confident | 89.1 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A20 I21 F22 L26 I27 P28 | A20-G24 PolarHBondContact O-N 3.08Å; I21-G24 PolarHBondContact O-N 3.02Å; F22-G24 VanDerWaalsContact C-N 3.3Å; F22-G24 PolarHBondContact O-N 2.96Å; G24-L26 VanDerWaalsContact C-N 3.33Å; G24-I27 PolarHBondContact O-N 3.43Å; G24-P28 VanDerWaalsContact O-CD 3.22Å; G24-P28 WeakPolarHBondContact O-CD 3.29Å |
| 25 | I | 89.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 175.5 | -68.1 | 168 | 0 | 0 | 0 | 111.3 | I21 F22 I27 P28 V29 | I21-I25 HydrophobicContact CG2-CD1 3.76Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 2.93Å; F22-I25 PolarHBondContact O-N 3.42Å; I25-I27 PolarHBondContact O-N 3.43Å; I25-P28 WeakPolarHBondContact O-CD 3.49Å; I25-P28 WeakPolarHBondContact O-CG 3.3Å; I25-V29 HydrophobicContact CG2-CG2 4.04Å; I25-V29 WeakPolarHBondContact O-CG2 3.32Å; I25-V29 PolarHBondContact O-N 3.03Å |
| 26 | L | 88.7 | Confident | 88.6 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -18.3 | -179.8 | -166.2 | 67.1 | 0 | 0 | 0 | 112.7 | F22 G23 G24 G30 L443 Q444 L447 | F22-L26 WeakPolarHBondContact O-CB 3.29Å; F22-L26 PolarHBondContact O-N 3.45Å; G23-L26 PolarHBondContact O-N 3.09Å; G24-L26 VanDerWaalsContact C-N 3.33Å; L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.25Å; L26-G30 PolarHBondContact O-N 3.23Å; L26-L443 HydrophobicContact CD2-CD2 4.02Å; L26-L443 HydrophobicContact CD2-CG 4.2Å; L26-Q444 HydrophobicContact CB-CG 4.12Å; L26-Q444 HydrophobicContact CD2-CG 4Å; L26-Q444 HydrophobicContact CG-CG 4.01Å; L26-Q444 PolarHBondContact O-NE2 2.88Å; L26-L447 HydrophobicContact CD2-CD1 4.02Å |
| 27 | I | 85.1 | Confident | 88.3 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -68.8 | 173.3 | -64 | 169.1 | 0 | 0 | 0 | 110.4 | G23 G24 I25 V29 G30 D31 Q444 I448 | G23-I27 PolarHBondContact O-N 3.37Å; G24-I27 PolarHBondContact O-N 3.43Å; I25-I27 PolarHBondContact O-N 3.43Å; I27-V29 VanDerWaalsContact C-N 3.27Å; I27-V29 PolarHBondContact O-N 2.98Å; I27-G30 PolarHBondContact O-N 3.46Å; I27-D31 WeakPolarHBondContact O-CB 3.5Å; I27-D31 PolarHBondContact O-N 3.48Å; I27-Q444 HydrophobicContact CG1-CB 4.25Å; I27-Q444 HydrophobicContact CG1-CG 4.14Å; I27-I448 HydrophobicContact CD1-CD1 3.73Å |
| 28 | P | 87.6 | Confident | 88.1 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.5 | -30.7 | -177.9 | 26.4 | -35.9 | 0 | 0 | 0 | 113.1 | G24 I25 N32 | G24-P28 VanDerWaalsContact O-CD 3.22Å; G24-P28 WeakPolarHBondContact O-CD 3.29Å; I25-P28 WeakPolarHBondContact O-CD 3.49Å; I25-P28 WeakPolarHBondContact O-CG 3.3Å; P28-N32 WeakPolarHBondContact O-CB 3.29Å; P28-N32 PolarHBondContact O-N 3.24Å |
| 29 | V | 86.6 | Confident | 87.9 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 42% | 0.418 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.4 | -45.6 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I25 I27 N32 I33 | I25-V29 HydrophobicContact CG2-CG2 4.04Å; I25-V29 WeakPolarHBondContact O-CG2 3.32Å; I25-V29 PolarHBondContact O-N 3.03Å; I27-V29 VanDerWaalsContact C-N 3.27Å; I27-V29 PolarHBondContact O-N 2.98Å; V29-N32 PolarHBondContact O-N 3.46Å; V29-I33 HydrophobicContact CG1-CD1 3.96Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.34Å; V29-I33 PolarHBondContact O-N 3.38Å |
| 30 | G | 83.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L26 I27 N32 I33 I34 | L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.25Å; L26-G30 PolarHBondContact O-N 3.23Å; I27-G30 PolarHBondContact O-N 3.46Å; G30-N32 VanDerWaalsContact C-N 3.34Å; G30-N32 PolarHBondContact O-N 2.9Å; G30-I33 PolarHBondContact O-N 2.95Å; G30-I33 VanDerWaalsContact O-N 3.15Å; G30-I34 WeakPolarHBondContact O-CG1 3.48Å; G30-I34 PolarHBondContact O-N 2.87Å |
| 31 | D | 82.3 | Confident | 87.5 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 177 | -66.8 | -12.3 | 0 | 0 | 0 | 111.1 | I27 I33 I34 D35 | I27-D31 WeakPolarHBondContact O-CB 3.5Å; I27-D31 PolarHBondContact O-N 3.48Å; D31-I33 VanDerWaalsContact C-N 3.33Å; D31-I33 PolarHBondContact O-N 2.76Å; D31-I34 PolarHBondContact O-N 2.98Å; D31-D35 WeakPolarHBondContact O-CB 3.28Å; D31-D35 PolarHBondContact O-N 3.42Å |
| 32 | N | 86.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 177.1 | -167.4 | 9.1 | 0 | 0 | 0 | 113 | P28 V29 G30 K36 | P28-N32 WeakPolarHBondContact O-CB 3.29Å; P28-N32 PolarHBondContact O-N 3.24Å; V29-N32 PolarHBondContact O-N 3.46Å; G30-N32 VanDerWaalsContact C-N 3.34Å; G30-N32 PolarHBondContact O-N 2.9Å; N32-K36 WeakPolarHBondContact O-CB 3.29Å; N32-K36 VanDerWaalsContact O-CG 3.26Å; N32-K36 WeakPolarHBondContact O-CG 3.34Å; N32-K36 PolarHBondContact O-N 3.01Å; N32-K36 WeakPolarHBondContact OD1-CE 3.28Å |
| 33 | I | 85.4 | Confident | 87.6 | Confident | 103 Ų | 103 | 58 Ų | 58 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.4 | -46 | 175.1 | -69.8 | 167 | 0 | 0 | 0 | 110.5 | V29 G30 D31 K36 A37 | V29-I33 HydrophobicContact CG1-CD1 3.96Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.34Å; V29-I33 PolarHBondContact O-N 3.38Å; G30-I33 PolarHBondContact O-N 2.95Å; G30-I33 VanDerWaalsContact O-N 3.15Å; D31-I33 VanDerWaalsContact C-N 3.33Å; D31-I33 PolarHBondContact O-N 2.76Å; I33-K36 PolarHBondContact O-N 3.47Å; I33-A37 WeakPolarHBondContact O-CB 3.26Å; I33-A37 PolarHBondContact O-N 3.24Å |
| 34 | I | 83.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 176.2 | -67.8 | 165.8 | 0 | 0 | 0 | 109.2 | G30 D31 K36 A37 I38 V437 L440 | G30-I34 WeakPolarHBondContact O-CG1 3.48Å; G30-I34 PolarHBondContact O-N 2.87Å; D31-I34 PolarHBondContact O-N 2.98Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.23Å; I34-A37 WeakPolarHBondContact O-CB 3.32Å; I34-A37 PolarHBondContact O-N 2.95Å; I34-I38 HydrophobicContact CG2-CG1 3.99Å; I34-I38 VanDerWaalsContact O-CG1 3.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.26Å; I34-V437 HydrophobicContact CD1-CB 4.5Å; I34-V437 HydrophobicContact CD1-CG1 4.35Å; I34-V437 HydrophobicContact CD1-CG2 4.27Å; I34-V437 HydrophobicContact CG2-CG2 3.9Å; I34-L440 HydrophobicContact CD1-CB 4.37Å; I34-L440 HydrophobicContact CD1-CD1 3.63Å; I34-L440 HydrophobicContact CG1-CD1 3.64Å |
| 35 | D | 86.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.4 | -45.4 | -180 | -82.1 | 4.5 | 0 | 0 | 0 | 111.6 | D31 K39 F256 | D31-D35 WeakPolarHBondContact O-CB 3.28Å; D31-D35 PolarHBondContact O-N 3.42Å; D35-K39 VanDerWaalsContact O-CB 3.24Å; D35-K39 WeakPolarHBondContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.44Å; D35-K39 PolarHBondContact O-N 3.42Å; D35-F256 HydrophobicContact CB-CZ 4.27Å; D35-F256 WeakPolarHBondContact OD1-CE1 3.37Å |
| 36 | K | 88.1 | Confident | 88.1 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 176.4 | -76.2 | 175.9 | -178.4 | 179.2 | 0 | 112.7 | N32 I33 I34 K40 | N32-K36 WeakPolarHBondContact O-CB 3.29Å; N32-K36 VanDerWaalsContact O-CG 3.26Å; N32-K36 WeakPolarHBondContact O-CG 3.34Å; N32-K36 PolarHBondContact O-N 3.01Å; N32-K36 WeakPolarHBondContact OD1-CE 3.28Å; I33-K36 PolarHBondContact O-N 3.47Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.23Å; K36-K40 WeakPolarHBondContact O-CB 3.33Å; K36-K40 PolarHBondContact O-N 3.27Å; K36-K40 VanDerWaalsContact O-N 3.08Å |
| 37 | A | 86.8 | Confident | 87.9 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | I33 I34 K40 D41 | I33-A37 WeakPolarHBondContact O-CB 3.26Å; I33-A37 PolarHBondContact O-N 3.24Å; I34-A37 WeakPolarHBondContact O-CB 3.32Å; I34-A37 PolarHBondContact O-N 2.95Å; A37-K40 WeakPolarHBondContact O-CB 3.34Å; A37-K40 PolarHBondContact O-N 2.93Å; A37-K40 VanDerWaalsContact O-N 3.14Å; A37-D41 PolarHBondContact O-N 3.4Å |
| 38 | I | 88 | Confident | 88.1 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.3 | -63.9 | -62.2 | 0 | 0 | 0 | 110.5 | I34 K40 D41 T42 P255 F256 I375 T376 V433 | I34-I38 HydrophobicContact CG2-CG1 3.99Å; I34-I38 VanDerWaalsContact O-CG1 3.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.26Å; I38-K40 PolarHBondContact O-N 3.41Å; I38-K40 VanDerWaalsContact O-N 3.16Å; I38-D41 PolarHBondContact O-N 3.46Å; I38-T42 HydrophobicContact CG2-CG2 3.91Å; I38-T42 WeakPolarHBondContact O-CB 3.46Å; I38-T42 VanDerWaalsContact O-CG2 3.32Å; I38-T42 WeakPolarHBondContact O-CG2 3.22Å; I38-T42 PolarHBondContact O-N 3.27Å; I38-T42 PolarHBondContact O-OG1 3.41Å; I38-P255 HydrophobicContact CG2-CB 4.14Å; I38-F256 HydrophobicContact CB-CZ 4.1Å; I38-F256 HydrophobicContact CG2-CE1 4.27Å; I38-F256 HydrophobicContact CG2-CE2 4.47Å; I38-F256 HydrophobicContact CG2-CZ 3.87Å; I38-I375 HydrophobicContact CB-CG2 4.47Å; I38-I375 HydrophobicContact CD1-CG2 3.8Å; I38-I375 HydrophobicContact CG1-CG2 3.69Å; I38-I375 HydrophobicContact CG2-CG2 4.07Å; I38-T376 HydrophobicContact CD1-CG2 4.33Å; I38-V433 HydrophobicContact CD1-CG1 4.1Å |
| 39 | K | 90.1 | Very high | 87.9 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -24.1 | 176.5 | -72.2 | 176.3 | -178.3 | 173.4 | 0 | 113 | D35 V43 I220 F256 | D35-K39 VanDerWaalsContact O-CB 3.24Å; D35-K39 WeakPolarHBondContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.44Å; D35-K39 PolarHBondContact O-N 3.42Å; K39-V43 VanDerWaalsContact O-CG2 3.26Å; K39-V43 WeakPolarHBondContact O-CG2 3.43Å; K39-I220 HydrophobicContact CB-CG1 4.41Å; K39-I220 HydrophobicContact CD-CG2 4.15Å; K39-I220 HydrophobicContact CG-CB 4.44Å; K39-I220 HydrophobicContact CG-CG1 4.24Å; K39-I220 HydrophobicContact CG-CG2 3.97Å; K39-I220 WeakPolarHBondContact O-CD1 3.25Å; K39-F256 HydrophobicContact CD-CE2 4.46Å; K39-F256 HydrophobicContact CG-CE2 3.89Å; K39-F256 HydrophobicContact CG-CZ 4.24Å |
| 40 | K | 88.8 | Confident | 88 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 67% | 0.674 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -82.3 | -45 | 174 | -176.2 | -179.2 | 174.8 | -176.4 | 0 | 111.9 | K36 A37 I38 T42 | K36-K40 WeakPolarHBondContact O-CB 3.33Å; K36-K40 PolarHBondContact O-N 3.27Å; K36-K40 VanDerWaalsContact O-N 3.08Å; A37-K40 WeakPolarHBondContact O-CB 3.34Å; A37-K40 PolarHBondContact O-N 2.93Å; A37-K40 VanDerWaalsContact O-N 3.14Å; I38-K40 PolarHBondContact O-N 3.41Å; I38-K40 VanDerWaalsContact O-N 3.16Å; K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 3.37Å |
| 41 | D | 87.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78.2 | -17.6 | -173.9 | -72.3 | -10.2 | 0 | 0 | 0 | 113.6 | A37 I38 I49 A50 | A37-D41 PolarHBondContact O-N 3.4Å; I38-D41 PolarHBondContact O-N 3.46Å; D41-I49 HydrophobicContact CB-CD1 4.5Å; D41-A50 PolarHBondContact O-N 2.89Å |
| 42 | T | 90.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -8.5 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | I38 K40 A50 I220 T223 P255 T376 F378 | I38-T42 HydrophobicContact CG2-CG2 3.91Å; I38-T42 WeakPolarHBondContact O-CB 3.46Å; I38-T42 VanDerWaalsContact O-CG2 3.32Å; I38-T42 WeakPolarHBondContact O-CG2 3.22Å; I38-T42 PolarHBondContact O-N 3.27Å; I38-T42 PolarHBondContact O-OG1 3.41Å; K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 3.37Å; T42-A50 VanDerWaalsContact O-CB 3.24Å; T42-A50 WeakPolarHBondContact O-CB 3.35Å; T42-I220 WeakPolarHBondContact OG1-CD1 3.03Å; T42-T223 VanDerWaalsContact O-CG2 3.31Å; T42-T223 WeakPolarHBondContact O-CG2 3.35Å; T42-P255 HydrophobicContact CG2-CB 4.42Å; T42-T376 HydrophobicContact CG2-CG2 4.4Å; T42-F378 HydrophobicContact CG2-CE1 4.33Å; T42-F378 HydrophobicContact CG2-CZ 4.16Å |
| 43 | V | 95.3 | Very high | 88.7 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -68 | 135.3 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | K39 S45 T48 T215 K217 I220 | K39-V43 VanDerWaalsContact O-CG2 3.26Å; K39-V43 WeakPolarHBondContact O-CG2 3.43Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.83Å; V43-T48 WeakPolarHBondContact O-CB 3.26Å; V43-T48 WeakPolarHBondContact O-CG2 3.25Å; V43-T48 PolarHBondContact O-OG1 3.42Å; V43-T215 WeakPolarHBondContact CA-O 3.28Å; V43-K217 HydrophobicContact CG1-CB 4.34Å; V43-K217 HydrophobicContact CG1-CG 3.44Å; V43-K217 VanDerWaalsContact CG1-CG 3.44Å; V43-I220 HydrophobicContact CG2-CD1 3.76Å |
| 44 | I | 95.1 | Very high | 89 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -77.5 | 86 | 173.8 | -54.3 | 170 | 0 | 0 | 0 | 108.7 | F51 W54 I111 V213 T215 T223 A224 | I44-F51 HydrophobicContact CG2-CD2 3.88Å; I44-W54 HydrophobicContact CD1-CG 4.39Å; I44-W54 HydrophobicContact CG2-CB 4.48Å; I44-W54 HydrophobicContact CG2-CD2 3.83Å; I44-W54 HydrophobicContact CG2-CE3 4.03Å; I44-W54 HydrophobicContact CG2-CG 4.04Å; I44-I111 HydrophobicContact CG2-CD1 4.33Å; I44-I111 HydrophobicContact CG2-CG2 4.12Å; I44-V213 HydrophobicContact CD1-CG2 4.4Å; I44-T215 PolarHBondContact N-O 2.77Å; I44-T215 WeakPolarHBondContact O-CB 3.29Å; I44-T215 WeakPolarHBondContact O-CG2 3.27Å; I44-T223 HydrophobicContact CD1-CG2 4.27Å; I44-T223 HydrophobicContact CG1-CG2 4.1Å; I44-A224 HydrophobicContact CD1-CB 4.01Å | ||
| 45 | S | 93 | Very high | 89.4 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -145 | 148.1 | 176.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | V43 G47 T48 F51 K217 | V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.83Å; S45-G47 PolarHBondContact O-N 3.03Å; S45-T48 WeakPolarHBondContact O-CB 3.28Å; S45-T48 WeakPolarHBondContact O-CG2 3.32Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 VanDerWaalsContact O-N 3.09Å; S45-T48 PolarHBondContact O-OG1 2.96Å; S45-F51 WeakPolarHBondContact O-CB 3.35Å; S45-K217 VanDerWaalsContact OG-CE 3.28Å; S45-K217 WeakPolarHBondContact OG-CE 3.38Å; S45-K217 PolarHBondContact OG-NZ 3.49Å |
| 46 | N | 89.1 | Confident | 89.4 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 67% | 0.668 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 134.4 | 179.4 | -164.7 | -0.2 | 0 | 0 | 0 | 111.9 | ||
| 47 | G | 84.7 | Confident | 89.1 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 66% | 0.66 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -2.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S45 | S45-G47 PolarHBondContact O-N 3.03Š|
| 48 | T | 88.9 | Confident | 88.6 | Confident | 18 Ų | 18 | 47 Ų | 47 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -91.5 | 156.8 | 174.4 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | V43 S45 A50 F51 E52 | V43-T48 WeakPolarHBondContact O-CB 3.26Å; V43-T48 WeakPolarHBondContact O-CG2 3.25Å; V43-T48 PolarHBondContact O-OG1 3.42Å; S45-T48 WeakPolarHBondContact O-CB 3.28Å; S45-T48 WeakPolarHBondContact O-CG2 3.32Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 VanDerWaalsContact O-N 3.09Å; S45-T48 PolarHBondContact O-OG1 2.96Å; T48-A50 VanDerWaalsContact C-N 3.28Å; T48-A50 PolarHBondContact O-N 3.47Å; T48-F51 PolarHBondContact O-N 3.03Å; T48-F51 VanDerWaalsContact OG1-CB 3.26Å; T48-F51 WeakPolarHBondContact OG1-CB 3.28Å; T48-F51 PolarHBondContact OG1-N 3.04Å; T48-E52 PolarHBondContact O-N 2.65Å |
| 49 | I | 84.5 | Confident | 88.6 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 174.4 | -60.1 | 172.1 | 0 | 0 | 0 | 110.6 | D41 N53 F378 K432 | D41-I49 HydrophobicContact CB-CD1 4.5Å; I49-N53 PolarHBondContact O-N 2.93Å; I49-N53 PolarHBondContact O-ND2 3.39Å; I49-N53 VanDerWaalsContact O-ND2 3.11Å; I49-F378 HydrophobicContact CG2-CE2 4.16Å; I49-K432 HydrophobicContact CD1-CB 4.49Å; I49-K432 HydrophobicContact CD1-CD 3.75Å |
| 50 | A | 89.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D41 T42 T48 N53 W54 F378 | D41-A50 PolarHBondContact O-N 2.89Å; T42-A50 VanDerWaalsContact O-CB 3.24Å; T42-A50 WeakPolarHBondContact O-CB 3.35Å; T48-A50 VanDerWaalsContact C-N 3.28Å; T48-A50 PolarHBondContact O-N 3.47Å; A50-N53 PolarHBondContact O-N 3.19Å; A50-W54 WeakPolarHBondContact O-CA 3.31Å; A50-W54 WeakPolarHBondContact O-CB 3.35Å; A50-W54 PolarHBondContact O-N 2.8Å; A50-F378 HydrophobicContact CB-CE1 4.16Å; A50-F378 HydrophobicContact CB-CZ 3.91Å |
| 51 | F | 92.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.5 | -175.4 | -93.4 | 0 | 0 | 0 | 112.9 | I44 S45 T48 N53 W54 L55 I111 | I44-F51 HydrophobicContact CG2-CD2 3.88Å; S45-F51 WeakPolarHBondContact O-CB 3.35Å; T48-F51 PolarHBondContact O-N 3.03Å; T48-F51 VanDerWaalsContact OG1-CB 3.26Å; T48-F51 WeakPolarHBondContact OG1-CB 3.28Å; T48-F51 PolarHBondContact OG1-N 3.04Å; F51-N53 PolarHBondContact O-N 3.43Å; F51-W54 HydrophobicContact CD2-CE3 4.05Å; F51-W54 HydrophobicContact CD2-CZ3 4.23Å; F51-W54 HydrophobicContact CE2-CE3 4.06Å; F51-W54 AromaticContact CE2-CZ3 3.79Å; F51-W54 HydrophobicContact CE2-CZ3 3.79Å; F51-W54 HydrophobicContact CZ-CZ3 4.41Å; F51-W54 PolarHBondContact O-N 3.04Å; F51-L55 HydrophobicContact CE1-CD2 4.38Å; F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 PolarHBondContact O-N 3.3Å; F51-I111 HydrophobicContact CE2-CD1 3.95Å |
| 52 | E | 87.4 | Confident | 89.6 | Confident | 97 Ų | 97 | 39.6 Ų | 39.6 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -48.5 | 177.1 | -71.3 | -180 | -172.4 | 0 | 0 | 111.7 | T48 L55 V56 | T48-E52 PolarHBondContact O-N 2.65Å; E52-L55 PolarHBondContact O-N 2.92Å; E52-V56 PolarHBondContact O-N 2.89Å |
| 53 | N | 87.2 | Confident | 90 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73 | -28.5 | 178.7 | -71.4 | -47.4 | 0 | 0 | 0 | 112.9 | I49 A50 F51 V56 | I49-N53 PolarHBondContact O-N 2.93Å; I49-N53 PolarHBondContact O-ND2 3.39Å; I49-N53 VanDerWaalsContact O-ND2 3.11Å; A50-N53 PolarHBondContact O-N 3.19Å; F51-N53 PolarHBondContact O-N 3.43Å; N53-V56 CarbonylContact C-O 3.56Å; N53-V56 CarbonylContact O-C 3.53Å |
| 54 | W | 92.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.5 | -40.9 | 175.4 | 171.6 | 90.5 | 0 | 0 | 0 | 110.9 | I44 A50 F51 K100 I103 I111 Y113 | I44-W54 HydrophobicContact CD1-CG 4.39Å; I44-W54 HydrophobicContact CG2-CB 4.48Å; I44-W54 HydrophobicContact CG2-CD2 3.83Å; I44-W54 HydrophobicContact CG2-CE3 4.03Å; I44-W54 HydrophobicContact CG2-CG 4.04Å; A50-W54 WeakPolarHBondContact O-CA 3.31Å; A50-W54 WeakPolarHBondContact O-CB 3.35Å; A50-W54 PolarHBondContact O-N 2.8Å; F51-W54 HydrophobicContact CD2-CE3 4.05Å; F51-W54 HydrophobicContact CD2-CZ3 4.23Å; F51-W54 HydrophobicContact CE2-CE3 4.06Å; F51-W54 AromaticContact CE2-CZ3 3.79Å; F51-W54 HydrophobicContact CE2-CZ3 3.79Å; F51-W54 HydrophobicContact CZ-CZ3 4.41Å; F51-W54 PolarHBondContact O-N 3.04Å; W54-K100 HydrophobicContact CD2-CD 3.95Å; W54-K100 HydrophobicContact CE3-CD 4.28Å; W54-K100 HydrophobicContact CH2-CD 4.2Å; W54-K100 HydrophobicContact CZ2-CD 3.88Å; W54-K100 HydrophobicContact CZ3-CD 4.4Å; W54-K100 VanDerWaalsContact NE1-NZ 3.17Å; W54-K100 VanDerWaalsContact O-CD 3.25Å; W54-K100 WeakPolarHBondContact O-CD 3.41Å; W54-K100 VanDerWaalsContact O-CE 3.23Å; W54-K100 WeakPolarHBondContact O-CE 3.4Å; W54-K100 PolarHBondContact O-NZ 3.21Å; W54-I103 HydrophobicContact CH2-CD1 4.16Å; W54-I103 HydrophobicContact CH2-CG1 4.11Å; W54-I103 HydrophobicContact CH2-CG2 4.15Å; W54-I103 HydrophobicContact CZ3-CD1 3.86Å; W54-I103 HydrophobicContact CZ3-CG1 4.33Å; W54-I103 HydrophobicContact CZ3-CG2 4.38Å; W54-I111 HydrophobicContact CH2-CD1 3.58Å; W54-I111 HydrophobicContact CH2-CG1 3.95Å; W54-I111 HydrophobicContact CH2-CG2 4.36Å; W54-I111 HydrophobicContact CZ2-CD1 4.27Å; W54-I111 HydrophobicContact CZ2-CG1 4.39Å; W54-I111 HydrophobicContact CZ2-CG2 4.01Å; W54-I111 HydrophobicContact CZ3-CD1 3.87Å; W54-Y113 HydrophobicContact CH2-CD1 4.19Å; W54-Y113 HydrophobicContact CH2-CG 4.22Å; W54-Y113 AromaticContact CZ2-CD1 3.36Å; W54-Y113 HydrophobicContact CZ2-CD1 3.36Å; W54-Y113 AromaticContact CZ2-CE1 3.85Å; W54-Y113 HydrophobicContact CZ2-CE1 3.85Å; W54-Y113 AromaticContact CZ2-CG 3.76Å; W54-Y113 HydrophobicContact CZ2-CG 3.76Å |
| 55 | L | 91.3 | Very high | 90.4 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -51 | -177.8 | -179.8 | 62.3 | 0 | 0 | 0 | 111.8 | F51 E52 P99 K100 I103 | F51-L55 HydrophobicContact CE1-CD2 4.38Å; F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 PolarHBondContact O-N 3.3Å; E52-L55 PolarHBondContact O-N 2.92Å; L55-P99 HydrophobicContact CD1-CB 4.04Å; L55-P99 HydrophobicContact CG-CB 4.11Å; L55-P99 WeakPolarHBondContact O-CA 3.25Å; L55-K100 HydrophobicContact CD1-CB 4.32Å; L55-K100 PolarHBondContact O-N 3.07Å; L55-I103 HydrophobicContact CD1-CD1 3.3Å |
| 56 | V | 86.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -134 | 126 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | E52 N53 G58 P99 | E52-V56 PolarHBondContact O-N 2.89Å; N53-V56 CarbonylContact C-O 3.56Å; N53-V56 CarbonylContact O-C 3.53Å; V56-G58 PolarHBondContact O-N 2.7Å; V56-P99 VanDerWaalsContact CG2-CA 3.48Å; V56-P99 HydrophobicContact CG2-CB 3.57Å; V56-P99 HydrophobicContact CG2-CG 4.48Å |
| 57 | P | 81.9 | Confident | 91.1 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | trans | -53.5 | 129.6 | 174.5 | -25 | 34.1 | 0 | 0 | 0 | 111 | S59 V61 | P57-S59 PolarHBondContact O-N 3.44Å; P57-S59 VanDerWaalsContact O-N 3.1Å; P57-V61 HydrophobicContact CB-CG2 4.44Å | ||
| 58 | G | 75.8 | Confident | 91.8 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -67.5 | -6.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V56 | V56-G58 PolarHBondContact O-N 2.7Š|
| 59 | S | 88.1 | Confident | 92.2 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -110.6 | 139.7 | 179.3 | -51.4 | 0 | 0 | 0 | 0 | 110 | P57 V61 V420 I421 | P57-S59 PolarHBondContact O-N 3.44Å; P57-S59 VanDerWaalsContact O-N 3.1Å; S59-V61 PolarHBondContact O-N 3.29Å; S59-V420 WeakPolarHBondContact CB-O 3.26Å; S59-I421 VanDerWaalsContact OG-CA 3.25Å; S59-I421 WeakPolarHBondContact OG-CA 3.4Å; S59-I421 PolarHBondContact OG-N 2.96Å |
| 60 | T | 94.1 | Very high | 92.9 | Very high | 69 Ų | 69 | 30.4 Ų | 30.4 | 42% | 0.423 | 17% | 0.166 | S | C | . | . | trans | -68.4 | 123.9 | 169.5 | -51.1 | 0 | 0 | 0 | 0 | 109.3 | Y62 R94 | T60-Y62 HydrophobicContact CG2-CD2 4.27Å; T60-Y62 HydrophobicContact CG2-CE1 4.02Å; T60-Y62 HydrophobicContact CG2-CE2 3.6Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.46Å; T60-R94 HydrophobicContact CG2-CG 3.74Å | ||
| 61 | V | 96.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.4 | 177.1 | -169.9 | 0 | 0 | 0 | 0 | 109 | P57 S59 V95 R96 F382 E417 A419 | P57-V61 HydrophobicContact CB-CG2 4.44Å; S59-V61 PolarHBondContact O-N 3.29Å; V61-V95 HydrophobicContact CB-CG2 4.12Å; V61-V95 HydrophobicContact CG1-CG2 3.75Å; V61-V95 PolarHBondContact O-N 2.91Å; V61-R96 HydrophobicContact CB-CB 4.21Å; V61-R96 HydrophobicContact CG2-CB 4.08Å; V61-F382 HydrophobicContact CG1-CZ 3.99Å; V61-E417 HydrophobicContact CG1-CG 3.68Å; V61-A419 HydrophobicContact CB-CB 4.41Å; V61-A419 HydrophobicContact CG1-CB 4.49Å; V61-A419 HydrophobicContact CG2-CB 3.99Å |
| 62 | Y | 98.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.8 | 173.6 | -63.4 | -78.9 | 0 | 0 | 0 | 109.7 | T60 T92 Y93 R94 E122 M125 E417 S418 | T60-Y62 HydrophobicContact CG2-CD2 4.27Å; T60-Y62 HydrophobicContact CG2-CE1 4.02Å; T60-Y62 HydrophobicContact CG2-CE2 3.6Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.46Å; Y62-T92 HydrophobicContact CD1-CG2 3.86Å; Y62-T92 HydrophobicContact CG-CG2 4.37Å; Y62-Y93 CarbonylContact C-O 3.4Å; Y62-Y93 WeakPolarHBondContact CA-O 3.41Å; Y62-R94 HydrophobicContact CD1-CB 4.32Å; Y62-R94 HydrophobicContact CE1-CB 4.26Å; Y62-R94 HydrophobicContact CE1-CG 4.32Å; Y62-E122 HydrophobicContact CD1-CG 4.39Å; Y62-E122 HydrophobicContact CE1-CG 4.09Å; Y62-M125 HydrophobicContact CD1-CE 4.28Å; Y62-M125 HydrophobicContact CD1-SD 4.21Å; Y62-M125 HydrophobicContact CD2-CE 4.38Å; Y62-M125 HydrophobicContact CE1-CE 4.15Å; Y62-M125 HydrophobicContact CE1-SD 3.66Å; Y62-M125 HydrophobicContact CE2-CE 4.26Å; Y62-M125 HydrophobicContact CG-CE 4.38Å; Y62-E417 CarbonylContact O-C 3.56Å; Y62-E417 VanDerWaalsContact O-CA 3.29Å; Y62-E417 WeakPolarHBondContact O-CA 3.35Å; Y62-S418 PolarHBondContact N-O 3.06Å; Y62-S418 PolarHBondContact O-N 3.06Å |
| 63 | R | 98.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 31 Ų | 31 | 2% | 0.023 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.1 | 167.7 | -169.7 | -179.7 | -65.8 | 158.6 | 2 | 108.4 | F65 Y93 V95 Y203 L415 N416 E417 | R63-F65 HydrophobicContact CG-CE1 4Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.73Å; R63-Y93 PolarHBondContact N-O 3.4Å; R63-Y93 PolarHBondContact O-N 3.3Å; R63-V95 HydrophobicContact CB-CG1 3.93Å; R63-V95 HydrophobicContact CB-CG2 3.97Å; R63-Y203 VanDerWaalsContact NH1-CZ 3.27Å; R63-Y203 PolarHBondContact NH1-OH 3.05Å; R63-Y203 PolarHBondContact NH2-OH 3.08Å; R63-Y203 VanDerWaalsContact NH2-OH 3.11Å; R63-L415 HydrophobicContact CG-CB 4.4Å; R63-L415 HydrophobicContact CG-CD1 4.37Å; R63-N416 WeakPolarHBondContact CA-O 3.2Å; R63-E417 HydrophobicContact CG-CB 4.33Å; R63-E417 IonicContact CZ-OE2 3.31Å; R63-E417 IonicContact NE-OE2 3.45Å; R63-E417 PolarHBondContact NE-OE2 3.39Å; R63-E417 IonicContact NH2-OE2 2.73Å; R63-E417 PolarHBondContact NH2-OE2 2.86Å |
| 64 | Q | 98.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.7 | -180 | -58.3 | -178.4 | -65.1 | 0 | 0 | 109.1 | W66 P90 Y91 T92 L415 N416 | Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.67Å; Q64-W66 HydrophobicContact CB-CZ3 3.42Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.42Å; Q64-W66 HydrophobicContact CG-CH2 4.5Å; Q64-P90 HydrophobicContact CB-CB 3.86Å; Q64-P90 HydrophobicContact CG-CB 4.28Å; Q64-Y91 WeakPolarHBondContact CA-O 3.19Å; Q64-T92 HydrophobicContact CG-CG2 4.03Å; Q64-T92 PolarHBondContact NE2-OG1 2.66Å; Q64-L415 CarbonylContact O-C 3.5Å; Q64-L415 WeakPolarHBondContact O-CA 3.46Å; Q64-L415 WeakPolarHBondContact O-CB 3.49Å; Q64-N416 HydrophobicContact CB-CB 4.47Å; Q64-N416 PolarHBondContact N-O 3.12Å; Q64-N416 PolarHBondContact O-N 3.05Å; Q64-N416 PolarHBondContact OE1-ND2 3.28Å |
| 65 | F | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.8 | 179.7 | -60.2 | -75.2 | 0 | 0 | 0 | 111.7 | R63 P90 Y91 Y93 L178 W179 F200 L413 L415 | R63-F65 HydrophobicContact CG-CE1 4Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.73Å; F65-P90 CarbonylContact O-C 3.25Å; F65-P90 WeakPolarHBondContact O-CA 3.36Å; F65-Y91 PolarHBondContact N-O 2.88Å; F65-Y91 PolarHBondContact O-N 3.21Å; F65-Y93 AromaticContact CD2-CD2 3.69Å; F65-Y93 HydrophobicContact CD2-CD2 3.69Å; F65-Y93 AromaticContact CD2-CE2 3.82Å; F65-Y93 HydrophobicContact CD2-CE2 3.82Å; F65-Y93 AromaticContact CE2-CD2 3.61Å; F65-Y93 HydrophobicContact CE2-CD2 3.61Å; F65-Y93 AromaticContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CG 4.37Å; F65-L178 HydrophobicContact CB-CD2 4.46Å; F65-L178 HydrophobicContact CD1-CD2 3.97Å; F65-L178 HydrophobicContact CD2-CD1 3.72Å; F65-L178 HydrophobicContact CD2-CD2 4.2Å; F65-L178 HydrophobicContact CE1-CD2 4.2Å; F65-L178 HydrophobicContact CE2-CD1 4.06Å; F65-L178 HydrophobicContact CE2-CD2 4.4Å; F65-L178 HydrophobicContact CG-CD1 4.16Å; F65-L178 HydrophobicContact CG-CD2 3.96Å; F65-L178 HydrophobicContact CZ-CD2 4.37Å; F65-W179 HydrophobicContact CE2-CH2 4.18Å; F65-W179 HydrophobicContact CE2-CZ2 4.11Å; F65-W179 HydrophobicContact CZ-CH2 4.2Å; F65-F200 HydrophobicContact CD1-CE2 4.06Å; F65-F200 HydrophobicContact CD1-CZ 4.4Å; F65-F200 HydrophobicContact CE1-CD2 4.16Å; F65-F200 HydrophobicContact CE1-CE1 4.45Å; F65-F200 AromaticContact CE1-CE2 3.3Å; F65-F200 HydrophobicContact CE1-CE2 3.3Å; F65-F200 AromaticContact CE1-CZ 3.5Å; F65-F200 HydrophobicContact CE1-CZ 3.5Å; F65-F200 HydrophobicContact CZ-CD2 4.24Å; F65-F200 AromaticContact CZ-CE2 3.82Å; F65-F200 HydrophobicContact CZ-CE2 3.82Å; F65-F200 HydrophobicContact CZ-CZ 4.19Å; F65-L413 HydrophobicContact CD1-CD1 4.19Å; F65-L415 HydrophobicContact CD1-CB 3.69Å; F65-L415 HydrophobicContact CE1-CB 3.85Å; F65-L415 HydrophobicContact CE1-CD2 4.07Å |
| 66 | W | 98.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.8 | 166.4 | -71.7 | -104.7 | 0 | 0 | 0 | 108.1 | Q64 Q87 R88 P90 L413 W414 N416 | Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.67Å; Q64-W66 HydrophobicContact CB-CZ3 3.42Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.42Å; Q64-W66 HydrophobicContact CG-CH2 4.5Å; W66-Q87 HydrophobicContact CB-CB 4.45Å; W66-R88 WeakPolarHBondContact CA-O 3.24Å; W66-P90 HydrophobicContact CD2-CB 4.42Å; W66-P90 HydrophobicContact CH2-CB 3.84Å; W66-P90 HydrophobicContact CZ2-CB 3.59Å; W66-P90 HydrophobicContact CZ2-CG 4.01Å; W66-P90 HydrophobicContact CZ3-CB 4.35Å; W66-L413 CarbonylContact O-C 3.56Å; W66-L413 WeakPolarHBondContact O-CA 3.49Å; W66-L413 VanDerWaalsContact O-CB 3.26Å; W66-L413 WeakPolarHBondContact O-CB 3.31Å; W66-W414 HydrophobicContact CB-CD2 4.1Å; W66-W414 HydrophobicContact CB-CG 4.2Å; W66-W414 HydrophobicContact CB-CZ2 4.03Å; W66-W414 VanDerWaalsContact CB-NE1 3.28Å; W66-W414 HydrophobicContact CD2-CD2 4.3Å; W66-W414 AromaticContact CD2-CE2 3.67Å; W66-W414 AromaticContact CD2-CH2 3.57Å; W66-W414 HydrophobicContact CD2-CH2 3.57Å; W66-W414 AromaticContact CD2-CZ2 3.26Å; W66-W414 HydrophobicContact CD2-CZ2 3.26Å; W66-W414 HydrophobicContact CD2-CZ3 4.21Å; W66-W414 AromaticContact CE2-CH2 3.84Å; W66-W414 AromaticContact CE2-CZ2 3.66Å; W66-W414 AromaticContact CE3-CD2 3.93Å; W66-W414 HydrophobicContact CE3-CD2 3.93Å; W66-W414 AromaticContact CE3-CE2 3.76Å; W66-W414 AromaticContact CE3-CE3 3.79Å; W66-W414 HydrophobicContact CE3-CE3 3.79Å; W66-W414 AromaticContact CE3-CH2 3.31Å; W66-W414 HydrophobicContact CE3-CH2 3.31Å; W66-W414 AromaticContact CE3-CZ2 3.46Å; W66-W414 HydrophobicContact CE3-CZ2 3.46Å; W66-W414 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W414 AromaticContact CE3-CZ3 3.5Å; W66-W414 HydrophobicContact CE3-CZ3 3.5Å; W66-W414 HydrophobicContact CG-CD2 4.41Å; W66-W414 AromaticContact CG-CE2 3.6Å; W66-W414 HydrophobicContact CG-CH2 4.32Å; W66-W414 AromaticContact CG-CZ2 3.54Å; W66-W414 HydrophobicContact CG-CZ2 3.54Å; W66-W414 AromaticContact CG-NE1 3.76Å; W66-W414 AromaticContact CH2-CH2 3.69Å; W66-W414 HydrophobicContact CH2-CH2 3.69Å; W66-W414 HydrophobicContact CH2-CZ2 4.35Å; W66-W414 HydrophobicContact CH2-CZ3 4.16Å; W66-W414 AromaticContact CZ2-CH2 3.91Å; W66-W414 HydrophobicContact CZ2-CH2 3.91Å; W66-W414 HydrophobicContact CZ2-CZ2 4.2Å; W66-W414 HydrophobicContact CZ3-CE3 4.15Å; W66-W414 AromaticContact CZ3-CH2 3.38Å; W66-W414 HydrophobicContact CZ3-CH2 3.38Å; W66-W414 HydrophobicContact CZ3-CZ2 4.01Å; W66-W414 AromaticContact CZ3-CZ3 3.47Å; W66-W414 HydrophobicContact CZ3-CZ3 3.47Å; W66-W414 VanDerWaalsContact CZ3-CZ3 3.47Å; W66-W414 PolarHBondContact N-O 3.23Å; W66-W414 PolarHBondContact O-N 2.88Å; W66-N416 HydrophobicContact CH2-CB 4.29Å; W66-N416 HydrophobicContact CZ3-CB 3.81Å |
| 67 | I | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.4 | -175.8 | -57.3 | 165.6 | 0 | 0 | 0 | 108.1 | D69 R88 Y91 I134 V174 I177 L413 | I67-D69 PolarHBondContact O-N 2.68Å; I67-R88 PolarHBondContact N-O 2.93Å; I67-R88 PolarHBondContact O-N 3.39Å; I67-Y91 HydrophobicContact CD1-CD2 4.47Å; I67-I134 HydrophobicContact CB-CD1 3.69Å; I67-I134 HydrophobicContact CD1-CD1 3.78Å; I67-I134 HydrophobicContact CG1-CD1 4.32Å; I67-I134 HydrophobicContact CG2-CD1 3.82Å; I67-I134 HydrophobicContact CG2-CG2 3.94Å; I67-V174 HydrophobicContact CD1-CB 4.35Å; I67-V174 HydrophobicContact CD1-CG1 4.02Å; I67-V174 HydrophobicContact CD1-CG2 4.06Å; I67-I177 HydrophobicContact CD1-CG2 3.87Å; I67-L413 HydrophobicContact CB-CB 4.35Å; I67-L413 HydrophobicContact CG1-CB 3.98Å; I67-L413 HydrophobicContact CG1-CD2 4.31Å |
| 68 | F | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 110.8 | 178.7 | -68.5 | -70.5 | 0 | 0 | 0 | 110.5 | L85 Q87 H344 L359 Q387 P411 I412 W414 | F68-L85 HydrophobicContact CB-CB 4.28Å; F68-L85 HydrophobicContact CB-CD1 4.18Å; F68-L85 HydrophobicContact CB-CD2 4.36Å; F68-L85 HydrophobicContact CD1-CB 4.13Å; F68-L85 HydrophobicContact CD1-CD1 4.42Å; F68-L85 HydrophobicContact CG-CD1 4.32Å; F68-Q87 HydrophobicContact CD1-CB 4.18Å; F68-Q87 HydrophobicContact CE1-CB 4.06Å; F68-H344 AromaticContact CE1-CE1 3.71Å; F68-H344 AromaticContact CE1-NE2 3.97Å; F68-H344 AromaticContact CZ-NE2 3.96Å; F68-L359 HydrophobicContact CD1-CD2 4.17Å; F68-L359 HydrophobicContact CE1-CD2 3.54Å; F68-L359 HydrophobicContact CZ-CD2 3.81Å; F68-Q387 HydrophobicContact CE2-CG 4.34Å; F68-P411 HydrophobicContact CD2-CB 3.71Å; F68-P411 HydrophobicContact CD2-CG 4.14Å; F68-P411 HydrophobicContact CE2-CB 3.78Å; F68-P411 HydrophobicContact CE2-CG 4.42Å; F68-P411 HydrophobicContact CG-CG 4.48Å; F68-I412 PolarHBondContact N-O 3.07Å; F68-W414 AromaticContact CE2-CD1 3.96Å; F68-W414 AromaticContact CZ-CD1 3.7Å |
| 69 | D | 98.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.1 | 178.1 | -162.8 | 6.8 | 0 | 0 | 0 | 110.6 | I67 Q71 L85 E86 R88 I134 T135 | I67-D69 PolarHBondContact O-N 2.68Å; D69-Q71 PolarHBondContact O-N 3.2Å; D69-Q71 PolarHBondContact O-NE2 3.3Å; D69-L85 WeakPolarHBondContact O-CA 3.11Å; D69-E86 WeakPolarHBondContact CB-O 3.21Å; D69-E86 PolarHBondContact N-O 3.29Å; D69-E86 PolarHBondContact O-N 3.38Å; D69-R88 HydrophobicContact CB-CG 4.16Å; D69-R88 VanDerWaalsContact OD2-CD 3.23Å; D69-R88 WeakPolarHBondContact OD2-CD 3.36Å; D69-R88 IonicContact OD2-NH1 3.76Å; D69-R88 PolarHBondContact OD2-NH1 3.42Å; D69-I134 HydrophobicContact CB-CG2 3.74Å; D69-I134 WeakPolarHBondContact OD1-CG2 3.27Å; D69-T135 WeakPolarHBondContact OD1-CA 3.47Å; D69-T135 WeakPolarHBondContact OD1-CB 3.28Å; D69-T135 PolarHBondContact OD1-N 3.36Å |
| 70 | V | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118.9 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | P73 V76 L85 T135 L169 F410 | V70-P73 HydrophobicContact CG1-CB 4.4Å; V70-V76 HydrophobicContact CG1-CG2 4.42Å; V70-L85 HydrophobicContact CG2-CD2 3.82Å; V70-T135 HydrophobicContact CB-CG2 4.1Å; V70-T135 WeakPolarHBondContact CG2-O 3.49Å; V70-T135 PolarHBondContact N-O 3.34Å; V70-L169 HydrophobicContact CB-CD1 4.49Å; V70-L169 HydrophobicContact CG1-CD1 3.94Å; V70-L169 HydrophobicContact CG2-CD2 4.29Å; V70-F410 HydrophobicContact CG2-CZ 3.72Å |
| 71 | Q | 98.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -88.2 | -22.4 | -175.1 | -56.9 | -51.9 | -50 | 0 | 0 | 113.7 | D69 P73 K84 E86 | D69-Q71 PolarHBondContact O-N 3.2Å; D69-Q71 PolarHBondContact O-NE2 3.3Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å; Q71-K84 HydrophobicContact CB-CB 4.24Å; Q71-K84 PolarHBondContact N-O 3.45Å; Q71-E86 HydrophobicContact CG-CB 3.95Å |
| 72 | N | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | trans | -121.4 | 50.5 | -179 | 67.5 | -27.7 | 0 | 0 | 0 | 113.8 | S74 E75 V76 H82 K84 | N72-S74 VanDerWaalsContact C-N 3.3Å; N72-S74 PolarHBondContact O-N 2.91Å; N72-E75 HydrophobicContact CB-CB 4.24Å; N72-E75 HydrophobicContact CB-CG 4.33Å; N72-E75 PolarHBondContact ND2-OE2 3.44Å; N72-E75 VanDerWaalsContact ND2-OE2 3.09Å; N72-E75 PolarHBondContact O-N 2.68Å; N72-E75 VanDerWaalsContact O-N 3.09Å; N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.93Å; N72-V76 VanDerWaalsContact O-N 3.14Å; N72-H82 PolarHBondContact ND2-O 3.37Å; N72-K84 HydrophobicContact CB-CD 4.29Å; N72-K84 PolarHBondContact OD1-N 2.91Å | ||
| 73 | P | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -171.8 | 24.7 | -34.3 | 0 | 0 | 0 | 113.3 | V70 Q71 E75 V76 L77 T135 L169 | V70-P73 HydrophobicContact CG1-CB 4.4Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-E75 PolarHBondContact O-N 2.9Å; P73-V76 PolarHBondContact O-N 3.33Å; P73-L77 WeakPolarHBondContact O-CB 3.18Å; P73-L77 VanDerWaalsContact O-CG 3.24Å; P73-L77 WeakPolarHBondContact O-CG 3.27Å; P73-L77 PolarHBondContact O-N 2.93Å; P73-T135 HydrophobicContact CB-CG2 3.97Å; P73-T135 HydrophobicContact CG-CG2 4.31Å; P73-L169 HydrophobicContact CB-CD1 3.76Å |
| 74 | S | 97.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 57% | 0.566 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.6 | -38.8 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | N72 N78 | N72-S74 VanDerWaalsContact C-N 3.3Å; N72-S74 PolarHBondContact O-N 2.91Å; S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 2.85Å; S74-N78 PolarHBondContact O-ND2 3.38Å; S74-N78 VanDerWaalsContact O-ND2 3.07Å |
| 75 | E | 97.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.4 | -45.7 | 177.7 | -63.9 | 171.4 | -162.6 | 0 | 0 | 110.2 | N72 P73 L77 N78 S79 G80 A81 | N72-E75 HydrophobicContact CB-CB 4.24Å; N72-E75 HydrophobicContact CB-CG 4.33Å; N72-E75 PolarHBondContact ND2-OE2 3.44Å; N72-E75 VanDerWaalsContact ND2-OE2 3.09Å; N72-E75 PolarHBondContact O-N 2.68Å; N72-E75 VanDerWaalsContact O-N 3.09Å; P73-E75 PolarHBondContact O-N 2.9Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.48Å; E75-N78 PolarHBondContact O-N 2.93Å; E75-S79 PolarHBondContact O-N 3.47Å; E75-S79 PolarHBondContact O-OG 3.27Å; E75-G80 PolarHBondContact O-N 3Å; E75-A81 HydrophobicContact CB-CB 3.78Å; E75-A81 PolarHBondContact O-N 3.06Å |
| 76 | V | 96.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | V70 N72 P73 G80 P83 L169 | V70-V76 HydrophobicContact CG1-CG2 4.42Å; N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.93Å; N72-V76 VanDerWaalsContact O-N 3.14Å; P73-V76 PolarHBondContact O-N 3.33Å; V76-G80 VanDerWaalsContact O-CA 3.31Å; V76-G80 WeakPolarHBondContact O-CA 3.42Å; V76-G80 PolarHBondContact O-N 3.45Å; V76-P83 HydrophobicContact CG1-CG 4.4Å; V76-P83 HydrophobicContact CG2-CB 4.11Å; V76-P83 HydrophobicContact CG2-CG 4.11Å; V76-L169 HydrophobicContact CB-CD1 4.01Å; V76-L169 HydrophobicContact CG1-CD1 3.99Å |
| 77 | L | 95.3 | Very high | 97 | Very high | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.8 | -34 | -176.4 | -68.2 | 174.1 | 0 | 0 | 0 | 113.9 | P73 E75 V167 M168 L169 K403 | P73-L77 WeakPolarHBondContact O-CB 3.18Å; P73-L77 VanDerWaalsContact O-CG 3.24Å; P73-L77 WeakPolarHBondContact O-CG 3.27Å; P73-L77 PolarHBondContact O-N 2.93Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.48Å; L77-V167 HydrophobicContact CD1-CG2 4.18Å; L77-V167 HydrophobicContact CD2-CB 4.4Å; L77-V167 HydrophobicContact CD2-CG2 4.35Å; L77-M168 HydrophobicContact CD2-CB 3.91Å; L77-L169 HydrophobicContact CD1-CB 4.39Å; L77-L169 HydrophobicContact CD2-CB 4.26Å; L77-L169 HydrophobicContact CD2-CD1 4.48Å; L77-L169 HydrophobicContact CD2-CG 4.11Å; L77-L169 HydrophobicContact CG-CB 4.49Å; L77-L169 HydrophobicContact CG-CD1 4.21Å; L77-L169 HydrophobicContact CG-CG 4.35Å; L77-K403 WeakPolarHBondContact O-CG 3.49Å |
| 78 | N | 94.5 | Very high | 97 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -93.5 | -42 | -172.7 | -65.4 | -29.3 | 0 | 0 | 0 | 113.2 | S74 E75 K403 | S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 2.85Å; S74-N78 PolarHBondContact O-ND2 3.38Å; S74-N78 VanDerWaalsContact O-ND2 3.07Å; E75-N78 PolarHBondContact O-N 2.93Å; N78-K403 WeakPolarHBondContact O-CE 3.42Å; N78-K403 PolarHBondContact O-NZ 3.07Å |
| 79 | S | 93.6 | Very high | 97 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -110.7 | -11.6 | -175.5 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | E75 A81 | E75-S79 PolarHBondContact O-N 3.47Å; E75-S79 PolarHBondContact O-OG 3.27Å; S79-A81 VanDerWaalsContact C-N 3.33Å |
| 80 | G | 92.9 | Very high | 97 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | trans | 73.4 | 28.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E75 V76 | E75-G80 PolarHBondContact O-N 3Å; V76-G80 VanDerWaalsContact O-CA 3.31Å; V76-G80 WeakPolarHBondContact O-CA 3.42Å; V76-G80 PolarHBondContact O-N 3.45Å | ||
| 81 | A | 95.7 | Very high | 97 | Very high | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 158.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E75 S79 | E75-A81 HydrophobicContact CB-CB 3.78Å; E75-A81 PolarHBondContact O-N 3.06Å; S79-A81 VanDerWaalsContact C-N 3.33Å |
| 82 | H | 95.5 | Very high | 97 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.9 | 174.4 | -67.1 | -171.3 | 0 | 0 | 0 | 110 | N72 K84 H354 | N72-H82 PolarHBondContact ND2-O 3.37Å; H82-K84 PolarHBondContact O-N 3.45Å; H82-H354 PolarHBondContact CE1-O 2.77Å; H82-H354 PolarHBondContact ND1-O 2.94Å |
| 83 | P | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 127 | 175.3 | -19.8 | 31.5 | 0 | 0 | 0 | 111.3 | V76 L85 V356 E357 Y408 F410 | V76-P83 HydrophobicContact CG1-CG 4.4Å; V76-P83 HydrophobicContact CG2-CB 4.11Å; V76-P83 HydrophobicContact CG2-CG 4.11Å; P83-L85 HydrophobicContact CB-CD2 3.98Å; P83-L85 HydrophobicContact CB-CG 4.44Å; P83-V356 HydrophobicContact CG-CG1 4.38Å; P83-E357 PolarHBondContact O-N 3.24Å; P83-Y408 HydrophobicContact CG-CE2 4.36Å; P83-F410 HydrophobicContact CB-CE2 3.83Å; P83-F410 HydrophobicContact CB-CZ 4.37Å; P83-F410 HydrophobicContact CG-CD2 4.06Å; P83-F410 HydrophobicContact CG-CE2 3.57Å |
| 84 | K | 98.4 | Very high | 97 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 118.7 | 167.6 | -68.9 | 173.1 | -179.2 | 167.5 | 0 | 108.5 | Q71 N72 H82 E357 | Q71-K84 HydrophobicContact CB-CB 4.24Å; Q71-K84 PolarHBondContact N-O 3.45Å; N72-K84 HydrophobicContact CB-CD 4.29Å; N72-K84 PolarHBondContact OD1-N 2.91Å; H82-K84 PolarHBondContact O-N 3.45Å; K84-E357 HydrophobicContact CB-CB 4.49Å; K84-E357 WeakPolarHBondContact CE-OE2 3.3Å; K84-E357 HydrophobicContact CG-CB 3.9Å; K84-E357 HydrophobicContact CG-CG 4.46Å |
| 85 | L | 98.4 | Very high | 97 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.5 | -172 | -55.8 | 179.5 | 0 | 0 | 0 | 110.7 | F68 D69 V70 P83 V356 E357 L359 F410 P411 | F68-L85 HydrophobicContact CB-CB 4.28Å; F68-L85 HydrophobicContact CB-CD1 4.18Å; F68-L85 HydrophobicContact CB-CD2 4.36Å; F68-L85 HydrophobicContact CD1-CB 4.13Å; F68-L85 HydrophobicContact CD1-CD1 4.42Å; F68-L85 HydrophobicContact CG-CD1 4.32Å; D69-L85 WeakPolarHBondContact O-CA 3.11Å; V70-L85 HydrophobicContact CG2-CD2 3.82Å; P83-L85 HydrophobicContact CB-CD2 3.98Å; P83-L85 HydrophobicContact CB-CG 4.44Å; L85-V356 HydrophobicContact CD1-CB 4.04Å; L85-V356 HydrophobicContact CD1-CG1 4.23Å; L85-V356 HydrophobicContact CD1-CG2 4.36Å; L85-E357 PolarHBondContact N-O 3.01Å; L85-L359 HydrophobicContact CD1-CD2 4.43Å; L85-F410 HydrophobicContact CD2-CE1 4.47Å; L85-F410 HydrophobicContact CD2-CZ 4.02Å; L85-P411 HydrophobicContact CD1-CG 3.36Å |
| 86 | E | 98.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.8 | 168 | -172.3 | 178.4 | 166.6 | 0 | 0 | 108.5 | D69 Q71 | D69-E86 WeakPolarHBondContact CB-O 3.21Å; D69-E86 PolarHBondContact N-O 3.29Å; D69-E86 PolarHBondContact O-N 3.38Å; Q71-E86 HydrophobicContact CG-CB 3.95Å |
| 87 | Q | 97.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.7 | 176.5 | 68.6 | 167.7 | 15.6 | 0 | 0 | 110.9 | W66 F68 H344 | W66-Q87 HydrophobicContact CB-CB 4.45Å; F68-Q87 HydrophobicContact CD1-CB 4.18Å; F68-Q87 HydrophobicContact CE1-CB 4.06Å; Q87-H344 PolarHBondContact OE1-NE2 2.83Å |
| 88 | R | 98.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.2 | 174.4 | -67.2 | -173.4 | 63.5 | -165.6 | -6.2 | 110.5 | W66 I67 D69 D132 T133 I134 | W66-R88 WeakPolarHBondContact CA-O 3.24Å; I67-R88 PolarHBondContact N-O 2.93Å; I67-R88 PolarHBondContact O-N 3.39Å; D69-R88 HydrophobicContact CB-CG 4.16Å; D69-R88 VanDerWaalsContact OD2-CD 3.23Å; D69-R88 WeakPolarHBondContact OD2-CD 3.36Å; D69-R88 IonicContact OD2-NH1 3.76Å; D69-R88 PolarHBondContact OD2-NH1 3.42Å; R88-D132 IonicContact NH2-OD2 3.05Å; R88-T133 PolarHBondContact NH1-O 3.09Å; R88-I134 HydrophobicContact CB-CD1 4.42Å |
| 89 | G | 97.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 90 | P | 98.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -76.2 | 144.3 | -0.2 | 28.1 | -32.5 | 0 | 0 | 0 | 113 | Q64 F65 W66 S126 V127 | Q64-P90 HydrophobicContact CB-CB 3.86Å; Q64-P90 HydrophobicContact CG-CB 4.28Å; F65-P90 CarbonylContact O-C 3.25Å; F65-P90 WeakPolarHBondContact O-CA 3.36Å; W66-P90 HydrophobicContact CD2-CB 4.42Å; W66-P90 HydrophobicContact CH2-CB 3.84Å; W66-P90 HydrophobicContact CZ2-CB 3.59Å; W66-P90 HydrophobicContact CZ2-CG 4.01Å; W66-P90 HydrophobicContact CZ3-CB 4.35Å; P90-S126 CarbonylContact O-C 3.55Å; P90-S126 VanDerWaalsContact O-CA 3.27Å; P90-S126 WeakPolarHBondContact O-CA 3.07Å; P90-V127 PolarHBondContact O-N 2.95Å |
| 91 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111 | 155.7 | -63.5 | -83 | 0 | 0 | 0 | 108.1 | Q64 F65 I67 F121 V127 T129 D132 I134 V174 | Q64-Y91 WeakPolarHBondContact CA-O 3.19Å; F65-Y91 PolarHBondContact N-O 2.88Å; F65-Y91 PolarHBondContact O-N 3.21Å; I67-Y91 HydrophobicContact CD1-CD2 4.47Å; Y91-F121 HydrophobicContact CD1-CE2 4.44Å; Y91-V127 HydrophobicContact CE1-CG1 4.29Å; Y91-V127 HydrophobicContact CE2-CG1 4.33Å; Y91-T129 WeakPolarHBondContact CE1-O 3.49Å; Y91-D132 HydrophobicContact CE1-CB 4.22Å; Y91-D132 WeakPolarHBondContact CE1-OD2 3.4Å; Y91-D132 VanDerWaalsContact OH-CB 3.29Å; Y91-D132 WeakPolarHBondContact OH-CB 3.21Å; Y91-D132 PolarHBondContact OH-OD2 3.02Å; Y91-I134 HydrophobicContact CE2-CD1 4.42Å; Y91-V174 HydrophobicContact CD1-CB 4.49Å; Y91-V174 HydrophobicContact CD1-CG1 3.95Å; Y91-V174 HydrophobicContact CD1-CG2 4.1Å; Y91-V174 HydrophobicContact CD2-CG1 4.03Å; Y91-V174 HydrophobicContact CD2-CG2 4.02Å; Y91-V174 HydrophobicContact CE1-CB 4.47Å; Y91-V174 HydrophobicContact CE1-CG1 4.4Å; Y91-V174 HydrophobicContact CE1-CG2 3.7Å; Y91-V174 HydrophobicContact CE2-CG1 4.46Å; Y91-V174 HydrophobicContact CE2-CG2 3.59Å; Y91-V174 HydrophobicContact CG-CG1 3.76Å; Y91-V174 HydrophobicContact CG-CG2 4.26Å; Y91-V174 VanDerWaalsContact CZ-CG2 3.43Å |
| 92 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.9 | -166.4 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Y62 Q64 F121 E122 M125 S126 | Y62-T92 HydrophobicContact CD1-CG2 3.86Å; Y62-T92 HydrophobicContact CG-CG2 4.37Å; Q64-T92 HydrophobicContact CG-CG2 4.03Å; Q64-T92 PolarHBondContact NE2-OG1 2.66Å; T92-F121 VanDerWaalsContact O-CD2 3.32Å; T92-F121 WeakPolarHBondContact O-CD2 3.44Å; T92-E122 HydrophobicContact CG2-CB 4.14Å; T92-E122 PolarHBondContact O-N 2.81Å; T92-M125 WeakPolarHBondContact CB-O 3.31Å; T92-M125 HydrophobicContact CG2-CB 3.83Å; T92-M125 HydrophobicContact CG2-CE 4.27Å; T92-M125 HydrophobicContact CG2-SD 4.37Å; T92-M125 PolarHBondContact OG1-O 2.93Å; T92-S126 PolarHBondContact N-OG 3.19Å |
| 93 | Y | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135 | 173.6 | -66.2 | -103.9 | 0 | 0 | 0 | 110.5 | Y62 R63 F65 A119 H120 F121 E130 L178 W179 | Y62-Y93 CarbonylContact C-O 3.4Å; Y62-Y93 WeakPolarHBondContact CA-O 3.41Å; R63-Y93 PolarHBondContact N-O 3.4Å; R63-Y93 PolarHBondContact O-N 3.3Å; F65-Y93 AromaticContact CD2-CD2 3.69Å; F65-Y93 HydrophobicContact CD2-CD2 3.69Å; F65-Y93 AromaticContact CD2-CE2 3.82Å; F65-Y93 HydrophobicContact CD2-CE2 3.82Å; F65-Y93 AromaticContact CE2-CD2 3.61Å; F65-Y93 HydrophobicContact CE2-CD2 3.61Å; F65-Y93 AromaticContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CG 4.37Å; Y93-A119 HydrophobicContact CD1-CB 3.92Å; Y93-A119 HydrophobicContact CG-CB 4.34Å; Y93-H120 CarbonylContact C-O 3.53Å; Y93-H120 WeakPolarHBondContact CA-O 3.5Å; Y93-F121 HydrophobicContact CD1-CB 3.9Å; Y93-F121 HydrophobicContact CD1-CD2 4.2Å; Y93-F121 HydrophobicContact CD2-CD2 4.18Å; Y93-F121 HydrophobicContact CE1-CB 3.66Å; Y93-F121 AromaticContact CE1-CD2 3.79Å; Y93-F121 HydrophobicContact CE1-CD2 3.79Å; Y93-F121 HydrophobicContact CE1-CG 4.16Å; Y93-F121 AromaticContact CE2-CD2 3.75Å; Y93-F121 HydrophobicContact CE2-CD2 3.75Å; Y93-F121 HydrophobicContact CE2-CE2 4.28Å; Y93-F121 HydrophobicContact CG-CD2 4.39Å; Y93-F121 AromaticContact CZ-CD2 3.55Å; Y93-E130 WeakPolarHBondContact OH-CG 3.34Å; Y93-E130 PolarHBondContact OH-OE1 3.2Å; Y93-L178 HydrophobicContact CE2-CD1 3.87Å; Y93-W179 AromaticContact CD1-CZ2 3.74Å; Y93-W179 HydrophobicContact CD1-CZ2 3.74Å; Y93-W179 HydrophobicContact CD2-CZ2 4.2Å; Y93-W179 AromaticContact CE1-CE2 3.72Å; Y93-W179 AromaticContact CE1-CZ2 3.55Å; Y93-W179 HydrophobicContact CE1-CZ2 3.55Å; Y93-W179 AromaticContact CE1-NE1 3.36Å; Y93-W179 HydrophobicContact CE2-CZ2 4.06Å; Y93-W179 HydrophobicContact CG-CZ2 4.05Å; Y93-W179 AromaticContact CZ-CE2 3.83Å; Y93-W179 AromaticContact CZ-CZ2 3.72Å; Y93-W179 AromaticContact CZ-NE1 3.33Å; Y93-W179 VanDerWaalsContact CZ-NE1 3.33Å; Y93-W179 PolarHBondContact OH-NE1 3.22Å |
| 94 | R | 98.1 | Very high | 97 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.3 | 164.9 | -164.8 | -179.8 | 102.4 | 176.9 | 6.3 | 109.3 | T60 Y62 Y97 A119 H120 E122 | T60-R94 HydrophobicContact CG2-CG 3.74Å; Y62-R94 HydrophobicContact CD1-CB 4.32Å; Y62-R94 HydrophobicContact CE1-CB 4.26Å; Y62-R94 HydrophobicContact CE1-CG 4.32Å; R94-Y97 HydrophobicContact CB-CD1 4.39Å; R94-Y97 HydrophobicContact CG-CD1 3.95Å; R94-Y97 VanDerWaalsContact NH2-CD2 3.32Å; R94-Y97 WeakPolarHBondContact O-CE1 3.36Å; R94-A119 WeakPolarHBondContact O-CA 3.32Å; R94-H120 HydrophobicContact CB-CB 4.44Å; R94-H120 PolarHBondContact N-O 3.27Å; R94-H120 PolarHBondContact O-N 3.39Å; R94-E122 HydrophobicContact CB-CG 4.12Å; R94-E122 WeakPolarHBondContact CB-OE1 3.5Å |
| 95 | V | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 171 | -178.1 | -62 | 0 | 0 | 0 | 0 | 110.5 | V61 R63 Y97 A119 | V61-V95 HydrophobicContact CB-CG2 4.12Å; V61-V95 HydrophobicContact CG1-CG2 3.75Å; V61-V95 PolarHBondContact O-N 2.91Å; R63-V95 HydrophobicContact CB-CG1 3.93Å; R63-V95 HydrophobicContact CB-CG2 3.97Å; V95-Y97 PolarHBondContact O-N 3.15Å; V95-A119 HydrophobicContact CG1-CB 4.05Å |
| 96 | R | 93.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 52.9 | 28 | 174.5 | -57.8 | -174.4 | -179.9 | -94.8 | -6.6 | 115.4 | V61 E417 | V61-R96 HydrophobicContact CB-CB 4.21Å; V61-R96 HydrophobicContact CG2-CB 4.08Å; R96-E417 IonicContact CZ-OE1 3.25Å; R96-E417 IonicContact NE-OE1 2.64Å; R96-E417 PolarHBondContact NE-OE1 3.04Å; R96-E417 IonicContact NH2-OE1 2.75Å; R96-E417 PolarHBondContact NH2-OE1 2.84Å |
| 97 | Y | 93.5 | Very high | 96.5 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 28% | 0.275 | 28% | 0.281 | S | S | . | . | trans | -93.9 | -1.3 | 179.8 | 63 | -98.2 | 0 | 0 | 0 | 113.6 | R94 V95 V118 H120 | R94-Y97 HydrophobicContact CB-CD1 4.39Å; R94-Y97 HydrophobicContact CG-CD1 3.95Å; R94-Y97 VanDerWaalsContact NH2-CD2 3.32Å; R94-Y97 WeakPolarHBondContact O-CE1 3.36Å; V95-Y97 PolarHBondContact O-N 3.15Å; Y97-V118 HydrophobicContact CD1-CG1 4.06Å; Y97-V118 HydrophobicContact CE1-CB 4.5Å; Y97-V118 HydrophobicContact CE1-CG1 3.61Å; Y97-V118 HydrophobicContact CE1-CG2 4.19Å; Y97-V118 HydrophobicContact CE2-CG1 4.11Å; Y97-V118 WeakPolarHBondContact OH-CG2 3.41Å; Y97-H120 HydrophobicContact CE1-CB 3.96Å | ||
| 98 | L | 95.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -94.9 | 146.6 | 172.4 | -69.1 | 178.2 | 0 | 0 | 0 | 110.4 | P116 V118 | L98-P116 HydrophobicContact CB-CB 4.43Å; L98-P116 HydrophobicContact CB-CG 3.72Å; L98-P116 HydrophobicContact CD1-CB 4.35Å; L98-V118 HydrophobicContact CB-CG1 4.42Å; L98-V118 HydrophobicContact CD1-CB 3.97Å; L98-V118 HydrophobicContact CD1-CG1 3.7Å; L98-V118 HydrophobicContact CD1-CG2 4.37Å; L98-V118 HydrophobicContact CG-CG1 3.83Å |
| 99 | P | 95.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 52 Ų | 52 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 151.9 | 176.5 | 27.8 | -34.5 | 0 | 0 | 0 | 111.9 | L55 V56 P116 | L55-P99 HydrophobicContact CD1-CB 4.04Å; L55-P99 HydrophobicContact CG-CB 4.11Å; L55-P99 WeakPolarHBondContact O-CA 3.25Å; V56-P99 VanDerWaalsContact CG2-CA 3.48Å; V56-P99 HydrophobicContact CG2-CB 3.57Å; V56-P99 HydrophobicContact CG2-CG 4.48Å; P99-P116 WeakPolarHBondContact O-CD 3.32Å; P99-P116 VanDerWaalsContact O-CG 3.26Å; P99-P116 WeakPolarHBondContact O-CG 3.38Å |
| 100 | K | 96 | Very high | 96.1 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 140.7 | 164.7 | -70.6 | 169.9 | 176.7 | 154.6 | 0 | 109.9 | W54 L55 I103 Y113 L115 D249 | W54-K100 HydrophobicContact CD2-CD 3.95Å; W54-K100 HydrophobicContact CE3-CD 4.28Å; W54-K100 HydrophobicContact CH2-CD 4.2Å; W54-K100 HydrophobicContact CZ2-CD 3.88Å; W54-K100 HydrophobicContact CZ3-CD 4.4Å; W54-K100 VanDerWaalsContact NE1-NZ 3.17Å; W54-K100 VanDerWaalsContact O-CD 3.25Å; W54-K100 WeakPolarHBondContact O-CD 3.41Å; W54-K100 VanDerWaalsContact O-CE 3.23Å; W54-K100 WeakPolarHBondContact O-CE 3.4Å; W54-K100 PolarHBondContact O-NZ 3.21Å; L55-K100 HydrophobicContact CD1-CB 4.32Å; L55-K100 PolarHBondContact O-N 3.07Å; K100-I103 HydrophobicContact CB-CD1 4.23Å; K100-I103 HydrophobicContact CB-CG1 4.47Å; K100-I103 WeakPolarHBondContact O-CD1 3.32Å; K100-Y113 HydrophobicContact CB-CD2 3.92Å; K100-Y113 HydrophobicContact CB-CG 4.36Å; K100-Y113 HydrophobicContact CD-CD1 4.48Å; K100-Y113 HydrophobicContact CD-CD2 3.42Å; K100-Y113 VanDerWaalsContact CD-CD2 3.42Å; K100-Y113 HydrophobicContact CD-CE2 3.54Å; K100-Y113 HydrophobicContact CD-CG 3.92Å; K100-Y113 HydrophobicContact CG-CD2 3.55Å; K100-Y113 HydrophobicContact CG-CE2 3.9Å; K100-Y113 HydrophobicContact CG-CG 4.32Å; K100-L115 HydrophobicContact CG-CD1 4.17Å; K100-D249 IonicContact NZ-OD2 3.55Å |
| 101 | E | 96.2 | Very high | 96 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 171.3 | -175.9 | -66.1 | -167.3 | -177.2 | 0 | 0 | 112 | I103 M114 Y207 | E101-I103 PolarHBondContact O-N 3.38Å; E101-M114 PolarHBondContact N-O 3.13Å; E101-M114 PolarHBondContact O-N 3.27Å; E101-Y207 HydrophobicContact CB-CE1 4.35Å; E101-Y207 HydrophobicContact CG-CE1 4.47Å; E101-Y207 VanDerWaalsContact OE2-CE1 3.31Å; E101-Y207 WeakPolarHBondContact OE2-CE1 3.47Å; E101-Y207 PolarHBondContact OE2-OH 2.8Å |
| 102 | N | 95.8 | Very high | 96 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 42.6 | -178.4 | -63.5 | -8.6 | 0 | 0 | 0 | 112.9 | T104 M114 | N102-T104 PolarHBondContact O-N 2.92Å; N102-M114 HydrophobicContact CB-CG 4.02Å |
| 103 | I | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.4 | -175.4 | -63.1 | 167.6 | 0 | 0 | 0 | 110 | W54 L55 K100 E101 I111 S112 | W54-I103 HydrophobicContact CH2-CD1 4.16Å; W54-I103 HydrophobicContact CH2-CG1 4.11Å; W54-I103 HydrophobicContact CH2-CG2 4.15Å; W54-I103 HydrophobicContact CZ3-CD1 3.86Å; W54-I103 HydrophobicContact CZ3-CG1 4.33Å; W54-I103 HydrophobicContact CZ3-CG2 4.38Å; L55-I103 HydrophobicContact CD1-CD1 3.3Å; K100-I103 HydrophobicContact CB-CD1 4.23Å; K100-I103 HydrophobicContact CB-CG1 4.47Å; K100-I103 WeakPolarHBondContact O-CD1 3.32Å; E101-I103 PolarHBondContact O-N 3.38Å; I103-I111 HydrophobicContact CG2-CD1 3.67Å; I103-I111 HydrophobicContact CG2-CG1 3.87Å; I103-S112 CarbonylContact C-O 3.58Å; I103-S112 VanDerWaalsContact CA-O 3.24Å; I103-S112 WeakPolarHBondContact CA-O 3.12Å |
| 104 | T | 96.7 | Very high | 95.8 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 119.1 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | N102 N106 I111 S112 | N102-T104 PolarHBondContact O-N 2.92Å; T104-N106 PolarHBondContact O-ND2 3.31Å; T104-I111 WeakPolarHBondContact O-CA 3.34Å; T104-S112 PolarHBondContact N-O 3.08Å; T104-S112 PolarHBondContact O-N 2.97Å |
| 105 | E | 95.7 | Very high | 95.8 | Very high | 96 Ų | 96 | 48.1 Ų | 48.1 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.4 | 168.9 | -69.1 | -167.7 | -152.9 | 0 | 0 | 110 | I111 K217 | E105-I111 HydrophobicContact CG-CD1 4.1Å; E105-I111 HydrophobicContact CG-CG1 4.27Å; E105-K217 IonicContact OE2-NZ 3.89Å; E105-K217 PolarHBondContact OE2-NZ 2.93Å |
| 106 | N | 95.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | trans | -110.9 | 152.2 | -178 | -58.5 | -89 | 0 | 0 | 0 | 110.9 | T104 D108 G109 T110 S112 R212 | T104-N106 PolarHBondContact O-ND2 3.31Å; N106-D108 WeakPolarHBondContact CB-OD1 3.19Å; N106-D108 PolarHBondContact O-N 3.32Å; N106-G109 PolarHBondContact O-N 3.19Å; N106-T110 WeakPolarHBondContact CB-O 3.19Å; N106-T110 VanDerWaalsContact CB-OG1 3.32Å; N106-T110 WeakPolarHBondContact CB-OG1 3.48Å; N106-T110 PolarHBondContact N-O 2.87Å; N106-T110 PolarHBondContact ND2-O 2.82Å; N106-T110 PolarHBondContact ND2-OG1 3.04Å; N106-S112 PolarHBondContact ND2-OG 2.97Å; N106-R212 PolarHBondContact ND2-NH1 2.84Å; N106-R212 PolarHBondContact OD1-NH1 3.24Å | ||
| 107 | P | 92.9 | Very high | 95.9 | Very high | 136 Ų | 136 | 46.7 Ų | 46.7 | 88% | 0.883 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23 | -179.1 | -24.4 | 34.6 | 0 | 0 | 0 | 115.3 | G109 | P107-G109 PolarHBondContact O-N 3.16Š|
| 108 | D | 92.9 | Very high | 96 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 23.2 | -178.5 | 71 | -23.8 | 0 | 0 | 0 | 113.3 | N106 T110 R212 | N106-D108 WeakPolarHBondContact CB-OD1 3.19Å; N106-D108 PolarHBondContact O-N 3.32Å; D108-T110 VanDerWaalsContact C-N 3.27Å; D108-T110 PolarHBondContact O-N 2.95Å; D108-T110 PolarHBondContact OD1-N 2.63Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; D108-R212 IonicContact OD1-CZ 2.8Å; D108-R212 IonicContact OD1-NH2 2.88Å; D108-R212 PolarHBondContact OD1-NH2 3.5Å; D108-R212 IonicContact OD2-CZ 3.62Å; D108-R212 IonicContact OD2-NE 3.64Å; D108-R212 IonicContact OD2-NH2 2.66Å; D108-R212 PolarHBondContact OD2-NH2 2.87Å |
| 109 | G | 93.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 70.9 | 18 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N106 P107 T215 | N106-G109 PolarHBondContact O-N 3.19Å; P107-G109 PolarHBondContact O-N 3.16Å; G109-T215 WeakPolarHBondContact O-CB 3.42Å; G109-T215 WeakPolarHBondContact O-CG2 3.14Å; G109-T215 PolarHBondContact O-N 3.39Å; G109-T215 PolarHBondContact O-OG1 2.67Å |
| 110 | T | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.2 | 174.2 | 67 | 0 | 0 | 0 | 0 | 112.8 | N106 D108 R212 V213 F214 | N106-T110 WeakPolarHBondContact CB-O 3.19Å; N106-T110 VanDerWaalsContact CB-OG1 3.32Å; N106-T110 WeakPolarHBondContact CB-OG1 3.48Å; N106-T110 PolarHBondContact N-O 2.87Å; N106-T110 PolarHBondContact ND2-O 2.82Å; N106-T110 PolarHBondContact ND2-OG1 3.04Å; D108-T110 VanDerWaalsContact C-N 3.27Å; D108-T110 PolarHBondContact O-N 2.95Å; D108-T110 PolarHBondContact OD1-N 2.63Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; T110-R212 HydrophobicContact CG2-CG 4.38Å; T110-R212 PolarHBondContact OG1-NE 2.98Å; T110-R212 VanDerWaalsContact OG1-NE 3.13Å; T110-R212 PolarHBondContact OG1-NH2 3.26Å; T110-R212 VanDerWaalsContact OG1-NH2 3.08Å; T110-V213 CarbonylContact C-O 3.34Å; T110-V213 WeakPolarHBondContact CA-O 3.35Å; T110-V213 WeakPolarHBondContact CB-O 3.43Å; T110-F214 HydrophobicContact CG2-CD1 3.64Å; T110-F214 HydrophobicContact CG2-CE1 3.82Å; T110-F214 HydrophobicContact CG2-CG 4.32Å |
| 111 | I | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.6 | 174.6 | -170.6 | 168.9 | 0 | 0 | 0 | 109.3 | I44 F51 W54 I103 T104 E105 V213 T215 | I44-I111 HydrophobicContact CG2-CD1 4.33Å; I44-I111 HydrophobicContact CG2-CG2 4.12Å; F51-I111 HydrophobicContact CE2-CD1 3.95Å; W54-I111 HydrophobicContact CH2-CD1 3.58Å; W54-I111 HydrophobicContact CH2-CG1 3.95Å; W54-I111 HydrophobicContact CH2-CG2 4.36Å; W54-I111 HydrophobicContact CZ2-CD1 4.27Å; W54-I111 HydrophobicContact CZ2-CG1 4.39Å; W54-I111 HydrophobicContact CZ2-CG2 4.01Å; W54-I111 HydrophobicContact CZ3-CD1 3.87Å; I103-I111 HydrophobicContact CG2-CD1 3.67Å; I103-I111 HydrophobicContact CG2-CG1 3.87Å; T104-I111 WeakPolarHBondContact O-CA 3.34Å; E105-I111 HydrophobicContact CG-CD1 4.1Å; E105-I111 HydrophobicContact CG-CG1 4.27Å; I111-V213 HydrophobicContact CG2-CG2 3.51Å; I111-V213 PolarHBondContact N-O 2.95Å; I111-V213 PolarHBondContact O-N 3.49Å; I111-T215 HydrophobicContact CB-CG2 3.79Å; I111-T215 HydrophobicContact CG2-CG2 3.81Å |
| 112 | S | 98.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 145.4 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | I103 T104 N106 Y211 | I103-S112 CarbonylContact C-O 3.58Å; I103-S112 VanDerWaalsContact CA-O 3.24Å; I103-S112 WeakPolarHBondContact CA-O 3.12Å; T104-S112 PolarHBondContact N-O 3.08Å; T104-S112 PolarHBondContact O-N 2.97Å; N106-S112 PolarHBondContact ND2-OG 2.97Å; S112-Y211 CarbonylContact C-O 3.58Å; S112-Y211 WeakPolarHBondContact CA-O 3.28Å |
| 113 | Y | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.6 | -179.2 | 73.1 | -83.9 | 0 | 0 | 0 | 113.2 | W54 K100 L115 Y211 V213 D249 | W54-Y113 HydrophobicContact CH2-CD1 4.19Å; W54-Y113 HydrophobicContact CH2-CG 4.22Å; W54-Y113 AromaticContact CZ2-CD1 3.36Å; W54-Y113 HydrophobicContact CZ2-CD1 3.36Å; W54-Y113 AromaticContact CZ2-CE1 3.85Å; W54-Y113 HydrophobicContact CZ2-CE1 3.85Å; W54-Y113 AromaticContact CZ2-CG 3.76Å; W54-Y113 HydrophobicContact CZ2-CG 3.76Å; K100-Y113 HydrophobicContact CB-CD2 3.92Å; K100-Y113 HydrophobicContact CB-CG 4.36Å; K100-Y113 HydrophobicContact CD-CD1 4.48Å; K100-Y113 HydrophobicContact CD-CD2 3.42Å; K100-Y113 VanDerWaalsContact CD-CD2 3.42Å; K100-Y113 HydrophobicContact CD-CE2 3.54Å; K100-Y113 HydrophobicContact CD-CG 3.92Å; K100-Y113 HydrophobicContact CG-CD2 3.55Å; K100-Y113 HydrophobicContact CG-CE2 3.9Å; K100-Y113 HydrophobicContact CG-CG 4.32Å; Y113-L115 HydrophobicContact CE2-CB 4.39Å; Y113-Y211 HydrophobicContact CE1-CG 4.11Å; Y113-Y211 AromaticContact CE2-CD2 3.97Å; Y113-Y211 HydrophobicContact CE2-CD2 3.97Å; Y113-Y211 HydrophobicContact CE2-CG 4.16Å; Y113-Y211 AromaticContact CZ-CG 3.77Å; Y113-Y211 PolarHBondContact N-O 3.06Å; Y113-Y211 PolarHBondContact O-N 3.33Å; Y113-V213 HydrophobicContact CE1-CG1 3.98Å; Y113-V213 HydrophobicContact CE1-CG2 4.28Å; Y113-D249 PolarHBondContact OH-OD2 3.38Å |
| 114 | M | 97.5 | Very high | 96.6 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 16% | 0.163 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.9 | 168.1 | -61.2 | -68.9 | -64.2 | 0 | 0 | 109.4 | E101 N102 Y207 G209 L210 | E101-M114 PolarHBondContact N-O 3.13Å; E101-M114 PolarHBondContact O-N 3.27Å; N102-M114 HydrophobicContact CB-CG 4.02Å; M114-Y207 HydrophobicContact CB-CD1 4.04Å; M114-Y207 HydrophobicContact CB-CG 4.44Å; M114-Y207 VanDerWaalsContact CE-CB 3.45Å; M114-Y207 HydrophobicContact CE-CG 4.36Å; M114-G209 VanDerWaalsContact SD-C 3.59Å; M114-L210 HydrophobicContact CG-CD1 4.23Å; M114-L210 WeakPolarHBondContact SD-CA 3.35Å; M114-L210 HydrophobicContact SD-CB 3.87Å; M114-L210 HydrophobicContact SD-CD1 3.92Å; M114-L210 PolarHBondContact SD-N 3.24Å; M114-L210 VanDerWaalsContact SD-N 3.39Å |
| 115 | L | 96.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.3 | 176.8 | -175.5 | 75 | 0 | 0 | 0 | 109.8 | K100 Y113 Y207 D208 | K100-L115 HydrophobicContact CG-CD1 4.17Å; Y113-L115 HydrophobicContact CE2-CB 4.39Å; L115-Y207 CarbonylContact O-C 3.54Å; L115-Y207 VanDerWaalsContact O-CA 3.26Å; L115-Y207 WeakPolarHBondContact O-CA 3.24Å; L115-D208 HydrophobicContact CB-CB 4.4Å; L115-D208 PolarHBondContact N-O 3.49Å; L115-D208 PolarHBondContact O-N 3.49Å |
| 116 | P | 96.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.7 | 176.8 | 26.4 | -32.9 | 0 | 0 | 0 | 111.7 | L98 P99 Y207 | L98-P116 HydrophobicContact CB-CB 4.43Å; L98-P116 HydrophobicContact CB-CG 3.72Å; L98-P116 HydrophobicContact CD1-CB 4.35Å; P99-P116 WeakPolarHBondContact O-CD 3.32Å; P99-P116 VanDerWaalsContact O-CG 3.26Å; P99-P116 WeakPolarHBondContact O-CG 3.38Å; P116-Y207 HydrophobicContact CB-CD1 3.96Å; P116-Y207 HydrophobicContact CB-CE1 3.79Å |
| 117 | N | 96.3 | Very high | 97 | Very high | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.7 | 174.1 | -67.3 | -41.3 | 0 | 0 | 0 | 109.7 | Y203 N204 G205 T206 | N117-Y203 HydrophobicContact CB-CD1 4.3Å; N117-Y203 HydrophobicContact CB-CD2 4.1Å; N117-Y203 HydrophobicContact CB-CE1 4.14Å; N117-Y203 HydrophobicContact CB-CE2 3.93Å; N117-Y203 HydrophobicContact CB-CG 4.27Å; N117-Y203 VanDerWaalsContact CB-O 3.31Å; N117-Y203 WeakPolarHBondContact CB-O 3.34Å; N117-N204 WeakPolarHBondContact O-CA 3.29Å; N117-G205 PolarHBondContact O-N 3.39Å; N117-T206 WeakPolarHBondContact CB-OG1 3.45Å; N117-T206 PolarHBondContact N-O 2.72Å; N117-T206 PolarHBondContact ND2-OG1 2.8Å |
| 118 | V | 96 | Very high | 97.2 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | trans | -144.4 | 141.8 | 175.6 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | Y97 L98 N204 | Y97-V118 HydrophobicContact CD1-CG1 4.06Å; Y97-V118 HydrophobicContact CE1-CB 4.5Å; Y97-V118 HydrophobicContact CE1-CG1 3.61Å; Y97-V118 HydrophobicContact CE1-CG2 4.19Å; Y97-V118 HydrophobicContact CE2-CG1 4.11Å; Y97-V118 WeakPolarHBondContact OH-CG2 3.41Å; L98-V118 HydrophobicContact CB-CG1 4.42Å; L98-V118 HydrophobicContact CD1-CB 3.97Å; L98-V118 HydrophobicContact CD1-CG1 3.7Å; L98-V118 HydrophobicContact CD1-CG2 4.37Å; L98-V118 HydrophobicContact CG-CG1 3.83Å; V118-N204 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 119 | A | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y93 R94 V95 W179 Y203 N204 | Y93-A119 HydrophobicContact CD1-CB 3.92Å; Y93-A119 HydrophobicContact CG-CB 4.34Å; R94-A119 WeakPolarHBondContact O-CA 3.32Å; V95-A119 HydrophobicContact CG1-CB 4.05Å; A119-W179 HydrophobicContact CB-CH2 3.61Å; A119-W179 HydrophobicContact CB-CZ2 3.82Å; A119-W179 HydrophobicContact CB-CZ3 4.35Å; A119-Y203 HydrophobicContact CB-CD1 4.09Å; A119-Y203 HydrophobicContact CB-CE1 3.91Å; A119-N204 PolarHBondContact N-OD1 2.81Å; A119-N204 PolarHBondContact O-ND2 3.31Å |
| 120 | H | 97.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 41 Ų | 41 | 44% | 0.44 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.5 | 174.2 | 179.2 | -92.6 | 0 | 0 | 0 | 109.1 | Y93 R94 Y97 E122 | Y93-H120 CarbonylContact C-O 3.53Å; Y93-H120 WeakPolarHBondContact CA-O 3.5Å; R94-H120 HydrophobicContact CB-CB 4.44Å; R94-H120 PolarHBondContact N-O 3.27Å; R94-H120 PolarHBondContact O-N 3.39Å; Y97-H120 HydrophobicContact CE1-CB 3.96Å; H120-E122 IonicContact CE1-OE1 2.62Å; H120-E122 IonicContact ND1-OE1 3.91Å; H120-E122 PolarHBondContact ND1-OE1 3.25Å; H120-E122 VanDerWaalsContact ND1-OE1 3.09Å |
| 121 | F | 98.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.6 | -177 | -176.5 | -116.4 | 0 | 0 | 0 | 111.5 | Y91 T92 Y93 P123 S126 G128 E130 | Y91-F121 HydrophobicContact CD1-CE2 4.44Å; T92-F121 VanDerWaalsContact O-CD2 3.32Å; T92-F121 WeakPolarHBondContact O-CD2 3.44Å; Y93-F121 HydrophobicContact CD1-CB 3.9Å; Y93-F121 HydrophobicContact CD1-CD2 4.2Å; Y93-F121 HydrophobicContact CD2-CD2 4.18Å; Y93-F121 HydrophobicContact CE1-CB 3.66Å; Y93-F121 AromaticContact CE1-CD2 3.79Å; Y93-F121 HydrophobicContact CE1-CD2 3.79Å; Y93-F121 HydrophobicContact CE1-CG 4.16Å; Y93-F121 AromaticContact CE2-CD2 3.75Å; Y93-F121 HydrophobicContact CE2-CD2 3.75Å; Y93-F121 HydrophobicContact CE2-CE2 4.28Å; Y93-F121 HydrophobicContact CG-CD2 4.39Å; Y93-F121 AromaticContact CZ-CD2 3.55Å; F121-P123 HydrophobicContact CD1-CB 4.38Å; F121-P123 HydrophobicContact CE1-CB 3.92Å; F121-P123 WeakPolarHBondContact O-CD 3.36Å; F121-S126 VanDerWaalsContact CE2-OG 3.25Å; F121-S126 WeakPolarHBondContact CE2-OG 3.36Å; F121-S126 WeakPolarHBondContact CZ-OG 3.21Å; F121-G128 WeakPolarHBondContact CZ-O 3.46Å; F121-E130 HydrophobicContact CB-CG 4.32Å; F121-E130 HydrophobicContact CD1-CG 3.87Å; F121-E130 HydrophobicContact CD2-CG 3.88Å; F121-E130 HydrophobicContact CE1-CG 4.11Å; F121-E130 HydrophobicContact CE2-CG 4.13Å; F121-E130 HydrophobicContact CG-CG 3.74Å; F121-E130 HydrophobicContact CZ-CG 4.23Å |
| 122 | E | 98.5 | Very high | 97.8 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -114 | 91.7 | -179.6 | -61.1 | -65 | 160.2 | 0 | 0 | 109.1 | Y62 T92 R94 H120 D124 M125 S126 | Y62-E122 HydrophobicContact CD1-CG 4.39Å; Y62-E122 HydrophobicContact CE1-CG 4.09Å; T92-E122 HydrophobicContact CG2-CB 4.14Å; T92-E122 PolarHBondContact O-N 2.81Å; R94-E122 HydrophobicContact CB-CG 4.12Å; R94-E122 WeakPolarHBondContact CB-OE1 3.5Å; H120-E122 IonicContact CE1-OE1 2.62Å; H120-E122 IonicContact ND1-OE1 3.91Å; H120-E122 PolarHBondContact ND1-OE1 3.25Å; H120-E122 VanDerWaalsContact ND1-OE1 3.09Å; E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 2.67Å; E122-M125 HydrophobicContact CB-CB 4.23Å; E122-M125 HydrophobicContact CB-CG 4.5Å; E122-M125 HydrophobicContact CB-SD 4.48Å; E122-M125 PolarHBondContact O-N 2.87Å; E122-S126 PolarHBondContact O-N 3.49Å; E122-S126 PolarHBondContact O-OG 2.91Å | ||
| 123 | P | 97.8 | Very high | 97.8 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -63.3 | -38.6 | -173.9 | 24.2 | -33.2 | 0 | 0 | 0 | 112.4 | F121 M125 S126 | F121-P123 HydrophobicContact CD1-CB 4.38Å; F121-P123 HydrophobicContact CE1-CB 3.92Å; F121-P123 WeakPolarHBondContact O-CD 3.36Å; P123-M125 PolarHBondContact O-N 2.84Å; P123-M125 VanDerWaalsContact O-N 3.16Å; P123-S126 PolarHBondContact O-N 3.14Å |
| 124 | D | 98.1 | Very high | 97.8 | Very high | 159 Ų | 159 | 51.2 Ų | 51.2 | 85% | 0.85 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -68.5 | -15 | -177.9 | -59.3 | -31 | 0 | 0 | 0 | 113.4 | E122 | E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 2.67Å |
| 125 | M | 98.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 51 Ų | 51 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -108.7 | 11.5 | 176.9 | -61.1 | -178.8 | 68.2 | 0 | 0 | 112.1 | Y62 T92 E122 P123 | Y62-M125 HydrophobicContact CD1-CE 4.28Å; Y62-M125 HydrophobicContact CD1-SD 4.21Å; Y62-M125 HydrophobicContact CD2-CE 4.38Å; Y62-M125 HydrophobicContact CE1-CE 4.15Å; Y62-M125 HydrophobicContact CE1-SD 3.66Å; Y62-M125 HydrophobicContact CE2-CE 4.26Å; Y62-M125 HydrophobicContact CG-CE 4.38Å; T92-M125 WeakPolarHBondContact CB-O 3.31Å; T92-M125 HydrophobicContact CG2-CB 3.83Å; T92-M125 HydrophobicContact CG2-CE 4.27Å; T92-M125 HydrophobicContact CG2-SD 4.37Å; T92-M125 PolarHBondContact OG1-O 2.93Å; E122-M125 HydrophobicContact CB-CB 4.23Å; E122-M125 HydrophobicContact CB-CG 4.5Å; E122-M125 HydrophobicContact CB-SD 4.48Å; E122-M125 PolarHBondContact O-N 2.87Å; P123-M125 PolarHBondContact O-N 2.84Å; P123-M125 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 98.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -117.4 | 148 | -175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | P90 T92 F121 E122 P123 G128 | P90-S126 CarbonylContact O-C 3.55Å; P90-S126 VanDerWaalsContact O-CA 3.27Å; P90-S126 WeakPolarHBondContact O-CA 3.07Å; T92-S126 PolarHBondContact N-OG 3.19Å; F121-S126 VanDerWaalsContact CE2-OG 3.25Å; F121-S126 WeakPolarHBondContact CE2-OG 3.36Å; F121-S126 WeakPolarHBondContact CZ-OG 3.21Å; E122-S126 PolarHBondContact O-N 3.49Å; E122-S126 PolarHBondContact O-OG 2.91Å; P123-S126 PolarHBondContact O-N 3.14Å; S126-G128 WeakPolarHBondContact CB-O 3.35Å; S126-G128 PolarHBondContact O-N 3.29Å |
| 127 | V | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -68.9 | -22.7 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | P90 Y91 | P90-V127 PolarHBondContact O-N 2.95Å; Y91-V127 HydrophobicContact CE1-CG1 4.29Å; Y91-V127 HydrophobicContact CE2-CG1 4.33Å |
| 128 | G | 97.7 | Very high | 98 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -165.2 | -160.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F121 S126 D132 | F121-G128 WeakPolarHBondContact CZ-O 3.46Å; S126-G128 WeakPolarHBondContact CB-O 3.35Å; S126-G128 PolarHBondContact O-N 3.29Å; G128-D132 WeakPolarHBondContact CA-OD2 3.32Å |
| 129 | T | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | trans | -100.1 | 163 | -172.9 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | Y91 N131 D132 | Y91-T129 WeakPolarHBondContact CE1-O 3.49Å; T129-N131 PolarHBondContact O-N 3.29Å; T129-N131 PolarHBondContact OG1-N 2.86Å; T129-D132 VanDerWaalsContact N-CG 3.35Å; T129-D132 PolarHBondContact N-OD1 3.18Å; T129-D132 PolarHBondContact N-OD2 2.82Å; T129-D132 WeakPolarHBondContact O-CB 3.46Å; T129-D132 PolarHBondContact O-N 3.47Å; T129-D132 VanDerWaalsContact O-N 3.09Å; T129-D132 PolarHBondContact OG1-N 2.88Å; T129-D132 PolarHBondContact OG1-OD1 3.32Å | ||
| 130 | E | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.1 | 168.7 | -74.2 | -164.1 | 112.2 | 0 | 0 | 113.7 | Y93 F121 T173 V174 K175 | Y93-E130 WeakPolarHBondContact OH-CG 3.34Å; Y93-E130 PolarHBondContact OH-OE1 3.2Å; F121-E130 HydrophobicContact CB-CG 4.32Å; F121-E130 HydrophobicContact CD1-CG 3.87Å; F121-E130 HydrophobicContact CD2-CG 3.88Å; F121-E130 HydrophobicContact CE1-CG 4.11Å; F121-E130 HydrophobicContact CE2-CG 4.13Å; F121-E130 HydrophobicContact CG-CG 3.74Å; F121-E130 HydrophobicContact CZ-CG 4.23Å; E130-T173 WeakPolarHBondContact O-CB 3.4Å; E130-V174 PolarHBondContact O-N 3.28Å; E130-K175 HydrophobicContact CB-CB 4.09Å; E130-K175 HydrophobicContact CB-CD 4.49Å; E130-K175 WeakPolarHBondContact O-CB 3.32Å; E130-K175 PolarHBondContact O-N 2.98Å; E130-K175 IonicContact OE2-NZ 3.02Å; E130-K175 PolarHBondContact OE2-NZ 3.48Å |
| 131 | N | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 43.9 Ų | 43.9 | 62% | 0.615 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.4 | -179.8 | -66.2 | -28.9 | 0 | 0 | 0 | 113.5 | T129 T133 | T129-N131 PolarHBondContact O-N 3.29Å; T129-N131 PolarHBondContact OG1-N 2.86Å; N131-T133 PolarHBondContact O-N 3.08Å |
| 132 | D | 98.5 | Very high | 98 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | trans | -57.2 | 131.2 | 176.1 | -68.7 | 10.2 | 0 | 0 | 0 | 109.5 | R88 Y91 G128 T129 T173 V174 | R88-D132 IonicContact NH2-OD2 3.05Å; Y91-D132 HydrophobicContact CE1-CB 4.22Å; Y91-D132 WeakPolarHBondContact CE1-OD2 3.4Å; Y91-D132 VanDerWaalsContact OH-CB 3.29Å; Y91-D132 WeakPolarHBondContact OH-CB 3.21Å; Y91-D132 PolarHBondContact OH-OD2 3.02Å; G128-D132 WeakPolarHBondContact CA-OD2 3.32Å; T129-D132 VanDerWaalsContact N-CG 3.35Å; T129-D132 PolarHBondContact N-OD1 3.18Å; T129-D132 PolarHBondContact N-OD2 2.82Å; T129-D132 WeakPolarHBondContact O-CB 3.46Å; T129-D132 PolarHBondContact O-N 3.47Å; T129-D132 VanDerWaalsContact O-N 3.09Å; T129-D132 PolarHBondContact OG1-N 2.88Å; T129-D132 PolarHBondContact OG1-OD1 3.32Å; D132-T173 CarbonylContact O-C 3.52Å; D132-T173 WeakPolarHBondContact O-CA 3.46Å; D132-V174 HydrophobicContact CB-CG2 4.05Å; D132-V174 PolarHBondContact O-N 2.98Å | ||
| 133 | T | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 41.2 Ų | 41.2 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.5 | -178.2 | -57 | 0 | 0 | 0 | 0 | 110.4 | R88 N131 N171 R172 | R88-T133 PolarHBondContact NH1-O 3.09Å; N131-T133 PolarHBondContact O-N 3.08Å; T133-N171 HydrophobicContact CG2-CB 3.85Å; T133-R172 WeakPolarHBondContact CA-O 3.22Å |
| 134 | I | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.2 | -178.4 | -60 | -178.5 | 0 | 0 | 0 | 108.7 | I67 D69 R88 Y91 C136 N171 R172 V174 | I67-I134 HydrophobicContact CB-CD1 3.69Å; I67-I134 HydrophobicContact CD1-CD1 3.78Å; I67-I134 HydrophobicContact CG1-CD1 4.32Å; I67-I134 HydrophobicContact CG2-CD1 3.82Å; I67-I134 HydrophobicContact CG2-CG2 3.94Å; D69-I134 HydrophobicContact CB-CG2 3.74Å; D69-I134 WeakPolarHBondContact OD1-CG2 3.27Å; R88-I134 HydrophobicContact CB-CD1 4.42Å; Y91-I134 HydrophobicContact CE2-CD1 4.42Å; I134-C136 HydrophobicContact CG2-CB 4.47Å; I134-N171 WeakPolarHBondContact O-CA 3.47Å; I134-R172 PolarHBondContact N-O 3.4Å; I134-R172 PolarHBondContact O-N 2.02Å; I134-V174 HydrophobicContact CD1-CG2 3.83Å; I134-V174 HydrophobicContact CG1-CG2 4.48Å |
| 135 | T | 98.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 17% | 0.172 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 110.2 | 170.8 | -49.9 | 0 | 0 | 0 | 0 | 108.4 | D69 V70 P73 Q170 N171 | D69-T135 WeakPolarHBondContact OD1-CA 3.47Å; D69-T135 WeakPolarHBondContact OD1-CB 3.28Å; D69-T135 PolarHBondContact OD1-N 3.36Å; V70-T135 HydrophobicContact CB-CG2 4.1Å; V70-T135 WeakPolarHBondContact CG2-O 3.49Å; V70-T135 PolarHBondContact N-O 3.34Å; P73-T135 HydrophobicContact CB-CG2 3.97Å; P73-T135 HydrophobicContact CG-CG2 4.31Å; T135-Q170 WeakPolarHBondContact CA-O 3.46Å; T135-N171 PolarHBondContact OG1-OD1 3.46Å |
| 136 | C | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 173.3 | -173.8 | 64.2 | 0 | 0 | 0 | 0 | 112 | I134 L169 Q170 | I134-C136 HydrophobicContact CG2-CB 4.47Å; C136-L169 CarbonylContact O-C 3.58Å; C136-L169 WeakPolarHBondContact O-CA 3.2Å; C136-Q170 PolarHBondContact N-O 3.46Å; C136-Q170 PolarHBondContact O-N 3.09Å |
| 137 | L | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 137.5 | 176.8 | -164.1 | 69.7 | 0 | 0 | 0 | 111.3 | L139 V142 M168 L169 Q170 L390 V392 F410 I412 | L137-L139 PolarHBondContact O-N 3.39Å; L137-L139 VanDerWaalsContact O-N 3.08Å; L137-V142 HydrophobicContact CD1-CG2 3.85Å; L137-V142 HydrophobicContact CD2-CB 4.35Å; L137-V142 HydrophobicContact CD2-CG1 4.36Å; L137-V142 HydrophobicContact CD2-CG2 3.93Å; L137-V142 HydrophobicContact CG-CG2 3.81Å; L137-M168 HydrophobicContact CD1-CE 3.8Å; L137-M168 HydrophobicContact CD1-CG 3.92Å; L137-L169 HydrophobicContact CD1-CD2 4.16Å; L137-Q170 PolarHBondContact O-NE2 3.01Å; L137-L390 HydrophobicContact CD2-CB 3.92Å; L137-L390 HydrophobicContact CD2-CD2 3.84Å; L137-L390 HydrophobicContact CD2-CG 4.44Å; L137-V392 HydrophobicContact CD1-CG2 4.27Å; L137-V392 HydrophobicContact CD2-CG2 4.03Å; L137-F410 HydrophobicContact CB-CD1 4.07Å; L137-F410 HydrophobicContact CB-CE1 4.04Å; L137-F410 HydrophobicContact CB-CZ 4.46Å; L137-F410 HydrophobicContact CD1-CD2 4.05Å; L137-F410 HydrophobicContact CD1-CE2 4.24Å; L137-F410 HydrophobicContact CD1-CG 4.24Å; L137-F410 HydrophobicContact CD2-CB 4.02Å; L137-F410 HydrophobicContact CD2-CD1 4.1Å; L137-F410 HydrophobicContact CD2-CG 4Å; L137-F410 HydrophobicContact CG-CD1 4.5Å; L137-I412 HydrophobicContact CB-CD1 3.66Å; L137-I412 HydrophobicContact CD2-CD1 3.8Å; L137-I412 HydrophobicContact CG-CD1 4.41Å |
| 138 | N | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -75.5 | 98.1 | 169.4 | -171 | -36.9 | 0 | 0 | 0 | 110.4 | A140 V141 V142 V167 M168 Q170 | N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 3.33Å; N138-A140 PolarHBondContact OD1-N 3.26Å; N138-V141 HydrophobicContact CB-CB 3.91Å; N138-V141 HydrophobicContact CB-CG2 4.05Å; N138-V141 WeakPolarHBondContact ND2-CG2 3.49Å; N138-V141 PolarHBondContact O-N 3.31Å; N138-V141 WeakPolarHBondContact OD1-CG2 3.39Å; N138-V141 PolarHBondContact OD1-N 3.23Å; N138-V142 PolarHBondContact O-N 3.33Å; N138-V142 VanDerWaalsContact O-N 3.07Å; N138-V167 WeakPolarHBondContact CB-O 3.26Å; N138-V167 PolarHBondContact ND2-O 3.08Å; N138-M168 WeakPolarHBondContact CB-O 3.19Å; N138-M168 PolarHBondContact N-O 3.35Å; N138-Q170 HydrophobicContact CB-CB 4.41Å; N138-Q170 HydrophobicContact CB-CG 4.05Å | ||
| 139 | L | 98 | Very high | 96.2 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -39.3 | -175.2 | -53.7 | -177.5 | 0 | 0 | 0 | 112.5 | L137 A143 I177 L197 V199 L390 I412 | L137-L139 PolarHBondContact O-N 3.39Å; L137-L139 VanDerWaalsContact O-N 3.08Å; L139-A143 WeakPolarHBondContact O-CB 3.5Å; L139-A143 PolarHBondContact O-N 3.15Å; L139-I177 HydrophobicContact CD1-CD1 3.74Å; L139-I177 HydrophobicContact CG-CD1 4.1Å; L139-L197 HydrophobicContact CB-CD1 3.58Å; L139-L197 HydrophobicContact CD1-CD1 3.65Å; L139-L197 HydrophobicContact CG-CD1 4.1Å; L139-V199 HydrophobicContact CD1-CG2 4.25Å; L139-L390 HydrophobicContact CD2-CD2 4.09Å; L139-I412 HydrophobicContact CD2-CD1 3.96Å; L139-I412 HydrophobicContact CD2-CG1 4.38Å |
| 140 | A | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.3 | -44.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N138 V142 A143 A144 D183 F185 L186 L197 | N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 3.33Å; N138-A140 PolarHBondContact OD1-N 3.26Å; A140-V142 PolarHBondContact O-N 2.82Å; A140-A143 PolarHBondContact O-N 3.48Å; A140-A144 WeakPolarHBondContact O-CB 3.32Å; A140-A144 PolarHBondContact O-N 2.87Å; A140-D183 HydrophobicContact CB-CB 4.37Å; A140-F185 HydrophobicContact CB-CD1 3.67Å; A140-F185 HydrophobicContact CB-CE1 3.97Å; A140-L186 HydrophobicContact CB-CD1 4.18Å; A140-L186 HydrophobicContact CB-CD2 3.97Å; A140-L186 HydrophobicContact CB-CG 3.84Å; A140-L197 HydrophobicContact CB-CD2 3.67Å |
| 141 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 179.4 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | N138 P145 M161 F185 A400 L401 | N138-V141 HydrophobicContact CB-CB 3.91Å; N138-V141 HydrophobicContact CB-CG2 4.05Å; N138-V141 WeakPolarHBondContact ND2-CG2 3.49Å; N138-V141 PolarHBondContact O-N 3.31Å; N138-V141 WeakPolarHBondContact OD1-CG2 3.39Å; N138-V141 PolarHBondContact OD1-N 3.23Å; V141-P145 WeakPolarHBondContact O-CD 3.04Å; V141-P145 WeakPolarHBondContact O-CG 3.44Å; V141-M161 HydrophobicContact CB-CE 4.37Å; V141-M161 HydrophobicContact CB-SD 4.49Å; V141-M161 HydrophobicContact CG1-CE 4.34Å; V141-M161 HydrophobicContact CG1-SD 4.06Å; V141-M161 HydrophobicContact CG2-CE 4.36Å; V141-M161 HydrophobicContact CG2-CG 4.35Å; V141-M161 HydrophobicContact CG2-SD 4.21Å; V141-F185 HydrophobicContact CG2-CD1 4.41Å; V141-A400 HydrophobicContact CG1-CB 3.81Å; V141-L401 HydrophobicContact CG1-CD2 4.23Å; V141-L401 HydrophobicContact CG1-CG 4.26Å |
| 142 | V | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -85.3 | -41.8 | 178 | 175.3 | 0 | 0 | 0 | 0 | 112.8 | L137 N138 A140 P145 L390 V392 L401 | L137-V142 HydrophobicContact CD1-CG2 3.85Å; L137-V142 HydrophobicContact CD2-CB 4.35Å; L137-V142 HydrophobicContact CD2-CG1 4.36Å; L137-V142 HydrophobicContact CD2-CG2 3.93Å; L137-V142 HydrophobicContact CG-CG2 3.81Å; N138-V142 PolarHBondContact O-N 3.33Å; N138-V142 VanDerWaalsContact O-N 3.07Å; A140-V142 PolarHBondContact O-N 2.82Å; V142-P145 WeakPolarHBondContact O-CD 3.28Å; V142-L390 HydrophobicContact CB-CD2 3.76Å; V142-L390 HydrophobicContact CG1-CD2 3.59Å; V142-L390 HydrophobicContact CG1-CG 4.06Å; V142-V392 HydrophobicContact CG1-CB 4.49Å; V142-V392 HydrophobicContact CG1-CG2 4.12Å; V142-V392 HydrophobicContact CG2-CG2 4.46Å; V142-L401 HydrophobicContact CG2-CD2 4.2Å |
| 143 | A | 96.3 | Very high | 95 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.8 | -38.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L139 A140 A146 L147 R336 | L139-A143 WeakPolarHBondContact O-CB 3.5Å; L139-A143 PolarHBondContact O-N 3.15Å; A140-A143 PolarHBondContact O-N 3.48Å; A143-A146 PolarHBondContact O-N 3.47Å; A143-L147 WeakPolarHBondContact O-CG 3.13Å; A143-L147 PolarHBondContact O-N 2.82Å; A143-L147 VanDerWaalsContact O-N 3.09Å; A143-R336 HydrophobicContact CB-CG 4.42Å |
| 144 | A | 95.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A140 A146 L147 Y148 L157 F185 | A140-A144 WeakPolarHBondContact O-CB 3.32Å; A140-A144 PolarHBondContact O-N 2.87Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.48Å; A144-L147 PolarHBondContact O-N 2.84Å; A144-Y148 VanDerWaalsContact O-CD2 3.26Å; A144-Y148 WeakPolarHBondContact O-CD2 3.42Å; A144-Y148 PolarHBondContact O-N 3.41Å; A144-L157 HydrophobicContact CB-CD1 4.45Å; A144-L157 HydrophobicContact CB-CD2 4.29Å; A144-F185 HydrophobicContact CB-CE1 3.83Å; A144-F185 HydrophobicContact CB-CZ 3.84Å |
| 145 | P | 93.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -29.1 | 176.9 | -24.6 | 38.7 | 0 | 0 | 0 | 113.6 | V141 V142 Q154 M161 A395 I398 L401 | V141-P145 WeakPolarHBondContact O-CD 3.04Å; V141-P145 WeakPolarHBondContact O-CG 3.44Å; V142-P145 WeakPolarHBondContact O-CD 3.28Å; P145-Q154 PolarHBondContact O-NE2 2.84Å; P145-M161 HydrophobicContact CG-CE 4.06Å; P145-A395 HydrophobicContact CB-CB 4.41Å; P145-I398 HydrophobicContact CB-CD1 3.59Å; P145-I398 HydrophobicContact CG-CD1 3.2Å; P145-L401 HydrophobicContact CB-CD1 4.41Å; P145-L401 HydrophobicContact CG-CD1 4Å |
| 146 | A | 91.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 28% | 0.281 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.3 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A143 A144 P337 | A143-A146 PolarHBondContact O-N 3.47Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.48Å; A146-P337 HydrophobicContact CB-CB 4.18Å; A146-P337 HydrophobicContact CB-CG 3.77Å |
| 147 | L | 91.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76.5 | -38.1 | 176.2 | -72.9 | 170.3 | 0 | 0 | 0 | 112.8 | A143 A144 G335 R336 | A143-L147 WeakPolarHBondContact O-CG 3.13Å; A143-L147 PolarHBondContact O-N 2.82Å; A143-L147 VanDerWaalsContact O-N 3.09Å; A144-L147 PolarHBondContact O-N 2.84Å; L147-G335 VanDerWaalsContact CD2-O 3.29Å; L147-G335 WeakPolarHBondContact CD2-O 3.07Å; L147-R336 HydrophobicContact CD1-CG 4.11Å |
| 148 | Y | 91.3 | Very high | 94.4 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | trans | -116.7 | 82.7 | -172.6 | -57.7 | -72 | 0 | 0 | 0 | 111.2 | A144 N150 I153 Q154 | A144-Y148 VanDerWaalsContact O-CD2 3.26Å; A144-Y148 WeakPolarHBondContact O-CD2 3.42Å; A144-Y148 PolarHBondContact O-N 3.41Å; Y148-N150 VanDerWaalsContact C-N 3.32Å; Y148-N150 PolarHBondContact O-N 2.78Å; Y148-I153 HydrophobicContact CG-CG2 4.13Å; Y148-Q154 PolarHBondContact O-NE2 2.74Å | ||
| 149 | T | 89.2 | Confident | 94.3 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 72% | 0.718 | 26% | 0.257 | S | S | * | . | trans | -79.1 | -12.4 | -176.2 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | A151 | T149-A151 PolarHBondContact O-N 3.49Š| ||
| 150 | N | 92.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | trans | -58.5 | 129.6 | 179.4 | 179.1 | -71.5 | 0 | 0 | 0 | 111.5 | Y148 F152 I153 Q154 | Y148-N150 VanDerWaalsContact C-N 3.32Å; Y148-N150 PolarHBondContact O-N 2.78Å; N150-F152 VanDerWaalsContact C-N 3.32Å; N150-F152 PolarHBondContact O-N 2.93Å; N150-F152 WeakPolarHBondContact OD1-CB 3.41Å; N150-F152 PolarHBondContact OD1-N 2.86Å; N150-I153 HydrophobicContact CB-CB 4.22Å; N150-I153 HydrophobicContact CB-CG1 3.97Å; N150-I153 PolarHBondContact O-N 3.31Å; N150-I153 VanDerWaalsContact O-N 3.13Å; N150-I153 PolarHBondContact OD1-N 2.84Å; N150-Q154 VanDerWaalsContact O-CG 3.27Å; N150-Q154 WeakPolarHBondContact O-CG 3.38Å; N150-Q154 PolarHBondContact O-N 3.01Å | ||
| 151 | A | 91.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.3 | -39.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | T149 L155 | T149-A151 PolarHBondContact O-N 3.49Å; A151-L155 PolarHBondContact O-N 3.04Å |
| 152 | F | 92.9 | Very high | 94.2 | Very high | 134 Ų | 134 | 53 Ų | 53 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73 | -42.3 | 178.8 | 176.5 | -104.7 | 0 | 0 | 0 | 110.8 | N150 Q154 L155 L156 | N150-F152 VanDerWaalsContact C-N 3.32Å; N150-F152 PolarHBondContact O-N 2.93Å; N150-F152 WeakPolarHBondContact OD1-CB 3.41Å; N150-F152 PolarHBondContact OD1-N 2.86Å; F152-Q154 VanDerWaalsContact C-N 3.33Å; F152-Q154 PolarHBondContact O-N 2.81Å; F152-L155 WeakPolarHBondContact O-CB 3.3Å; F152-L155 PolarHBondContact O-N 2.84Å; F152-L156 HydrophobicContact CD1-CD1 4.16Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.26Å; F152-L156 HydrophobicContact CZ-CD1 4.06Å; F152-L156 HydrophobicContact CZ-CD2 4.44Å; F152-L156 HydrophobicContact CZ-CG 4.36Å; F152-L156 PolarHBondContact O-N 3.37Å |
| 153 | I | 92.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.6 | -58.3 | -60.1 | 0 | 0 | 0 | 110.9 | Y148 N150 L155 L156 L157 | Y148-I153 HydrophobicContact CG-CG2 4.13Å; N150-I153 HydrophobicContact CB-CB 4.22Å; N150-I153 HydrophobicContact CB-CG1 3.97Å; N150-I153 PolarHBondContact O-N 3.31Å; N150-I153 VanDerWaalsContact O-N 3.13Å; N150-I153 PolarHBondContact OD1-N 2.84Å; I153-L155 VanDerWaalsContact C-N 3.27Å; I153-L155 PolarHBondContact O-N 3.02Å; I153-L156 HydrophobicContact CD1-CD1 4.41Å; I153-L156 WeakPolarHBondContact O-CB 3.37Å; I153-L156 PolarHBondContact O-N 3.27Å; I153-L157 HydrophobicContact CG2-CD1 4.11Å; I153-L157 HydrophobicContact CG2-CG 4.06Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.08Å; I153-L157 PolarHBondContact O-N 3.03Å |
| 154 | Q | 94.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -39 | 175.3 | -70.9 | -86.6 | -22.6 | 0 | 0 | 112.9 | P145 Y148 N150 F152 L157 N158 K397 | P145-Q154 PolarHBondContact O-NE2 2.84Å; Y148-Q154 PolarHBondContact O-NE2 2.74Å; N150-Q154 VanDerWaalsContact O-CG 3.27Å; N150-Q154 WeakPolarHBondContact O-CG 3.38Å; N150-Q154 PolarHBondContact O-N 3.01Å; F152-Q154 VanDerWaalsContact C-N 3.33Å; F152-Q154 PolarHBondContact O-N 2.81Å; Q154-L157 PolarHBondContact O-N 3.3Å; Q154-N158 WeakPolarHBondContact O-CB 3.24Å; Q154-N158 PolarHBondContact O-N 3.07Å; Q154-K397 HydrophobicContact CB-CB 4.33Å; Q154-K397 HydrophobicContact CB-CD 4.4Å |
| 155 | L | 94.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.7 | -176.3 | 65.7 | 0 | 0 | 0 | 112.1 | A151 F152 I153 T159 | A151-L155 PolarHBondContact O-N 3.04Å; F152-L155 WeakPolarHBondContact O-CB 3.3Å; F152-L155 PolarHBondContact O-N 2.84Å; I153-L155 VanDerWaalsContact C-N 3.27Å; I153-L155 PolarHBondContact O-N 3.02Å; L155-T159 PolarHBondContact O-N 3.19Å; L155-T159 PolarHBondContact O-OG1 2.88Å |
| 156 | L | 95.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 174.1 | -64.9 | -179.7 | 0 | 0 | 0 | 111.7 | F152 I153 N158 T159 W160 | F152-L156 HydrophobicContact CD1-CD1 4.16Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.26Å; F152-L156 HydrophobicContact CZ-CD1 4.06Å; F152-L156 HydrophobicContact CZ-CD2 4.44Å; F152-L156 HydrophobicContact CZ-CG 4.36Å; F152-L156 PolarHBondContact O-N 3.37Å; I153-L156 HydrophobicContact CD1-CD1 4.41Å; I153-L156 WeakPolarHBondContact O-CB 3.37Å; I153-L156 PolarHBondContact O-N 3.27Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 3.42Å; L156-T159 WeakPolarHBondContact O-CB 3.37Å; L156-T159 PolarHBondContact O-N 3.33Å; L156-W160 HydrophobicContact CB-CE3 4.3Å; L156-W160 HydrophobicContact CB-CH2 3.7Å; L156-W160 HydrophobicContact CB-CZ2 3.95Å; L156-W160 HydrophobicContact CB-CZ3 3.88Å; L156-W160 HydrophobicContact CD1-CH2 4.06Å; L156-W160 HydrophobicContact CD1-CZ2 4.31Å; L156-W160 HydrophobicContact CG-CH2 4.47Å; L156-W160 VanDerWaalsContact O-CD2 3.3Å; L156-W160 PolarHBondContact O-N 3.04Å |
| 157 | L | 95.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -48.6 | 175.5 | -66.4 | 174.9 | 0 | 0 | 0 | 110.8 | A144 I153 Q154 T159 W160 M161 F185 I398 | A144-L157 HydrophobicContact CB-CD1 4.45Å; A144-L157 HydrophobicContact CB-CD2 4.29Å; I153-L157 HydrophobicContact CG2-CD1 4.11Å; I153-L157 HydrophobicContact CG2-CG 4.06Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.08Å; I153-L157 PolarHBondContact O-N 3.03Å; Q154-L157 PolarHBondContact O-N 3.3Å; L157-T159 VanDerWaalsContact C-N 3.29Å; L157-T159 PolarHBondContact O-N 2.89Å; L157-W160 HydrophobicContact CD2-CE3 4.07Å; L157-W160 HydrophobicContact CD2-CZ3 4.05Å; L157-W160 PolarHBondContact O-N 3.22Å; L157-M161 HydrophobicContact CB-CE 4.32Å; L157-M161 WeakPolarHBondContact O-CB 3.16Å; L157-M161 VanDerWaalsContact O-CG 3.24Å; L157-M161 WeakPolarHBondContact O-CG 3.45Å; L157-M161 PolarHBondContact O-N 3.07Å; L157-F185 HydrophobicContact CD2-CE2 4.03Å; L157-F185 HydrophobicContact CD2-CZ 3.74Å; L157-I398 HydrophobicContact CB-CD1 4.36Å |
| 158 | N | 96.8 | Very high | 95 | Very high | 18 Ų | 18 | 64 Ų | 64 | 10% | 0.096 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.8 | -42.2 | 175.1 | -173 | 45.3 | 0 | 0 | 0 | 112.1 | Q154 L156 M161 K162 K397 I398 E399 | Q154-N158 WeakPolarHBondContact O-CB 3.24Å; Q154-N158 PolarHBondContact O-N 3.07Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 3.42Å; N158-M161 PolarHBondContact O-N 3.49Å; N158-K162 WeakPolarHBondContact ND2-CE 3.22Å; N158-K162 WeakPolarHBondContact O-CB 3.48Å; N158-K162 VanDerWaalsContact O-CG 3.29Å; N158-K162 WeakPolarHBondContact O-CG 3.49Å; N158-K162 PolarHBondContact O-N 3.17Å; N158-K397 WeakPolarHBondContact CB-O 3.23Å; N158-K397 PolarHBondContact ND2-O 3.02Å; N158-I398 HydrophobicContact CB-CG1 4.19Å; N158-I398 WeakPolarHBondContact OD1-CA 3.39Å; N158-E399 PolarHBondContact OD1-N 3.36Å |
| 159 | T | 96.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 179 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | L155 L156 L157 K162 S163 | L155-T159 PolarHBondContact O-N 3.19Å; L155-T159 PolarHBondContact O-OG1 2.88Å; L156-T159 WeakPolarHBondContact O-CB 3.37Å; L156-T159 PolarHBondContact O-N 3.33Å; L157-T159 VanDerWaalsContact C-N 3.29Å; L157-T159 PolarHBondContact O-N 2.89Å; T159-K162 PolarHBondContact O-N 2.87Å; T159-S163 WeakPolarHBondContact O-CB 3.28Å; T159-S163 PolarHBondContact O-N 2.94Å |
| 160 | W | 96.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 177.2 | -61.9 | -40.1 | 0 | 0 | 0 | 112.5 | L156 L157 K162 S163 S164 F185 K188 I189 P190 F191 | L156-W160 HydrophobicContact CB-CE3 4.3Å; L156-W160 HydrophobicContact CB-CH2 3.7Å; L156-W160 HydrophobicContact CB-CZ2 3.95Å; L156-W160 HydrophobicContact CB-CZ3 3.88Å; L156-W160 HydrophobicContact CD1-CH2 4.06Å; L156-W160 HydrophobicContact CD1-CZ2 4.31Å; L156-W160 HydrophobicContact CG-CH2 4.47Å; L156-W160 VanDerWaalsContact O-CD2 3.3Å; L156-W160 PolarHBondContact O-N 3.04Å; L157-W160 HydrophobicContact CD2-CE3 4.07Å; L157-W160 HydrophobicContact CD2-CZ3 4.05Å; L157-W160 PolarHBondContact O-N 3.22Å; W160-K162 PolarHBondContact O-N 2.9Å; W160-S163 PolarHBondContact O-N 3.21Å; W160-S164 PolarHBondContact O-N 3.28Å; W160-S164 PolarHBondContact O-OG 2.91Å; W160-S164 VanDerWaalsContact O-OG 3.1Å; W160-F185 HydrophobicContact CB-CD2 3.97Å; W160-F185 HydrophobicContact CB-CE2 4.1Å; W160-K188 HydrophobicContact CB-CB 4.07Å; W160-K188 HydrophobicContact CG-CB 4.32Å; W160-I189 HydrophobicContact CD2-CG1 4.25Å; W160-I189 HydrophobicContact CE3-CD1 4.35Å; W160-I189 HydrophobicContact CE3-CG1 3.73Å; W160-I189 HydrophobicContact CH2-CG2 4.38Å; W160-I189 HydrophobicContact CZ3-CG1 4.08Å; W160-I189 HydrophobicContact CZ3-CG2 4.18Å; W160-P190 HydrophobicContact CH2-CG 4.46Å; W160-P190 HydrophobicContact CZ2-CG 3.8Å; W160-F191 HydrophobicContact CH2-CE2 4.12Å |
| 161 | M | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 174.4 | -70.3 | 175.7 | -171.2 | 0 | 0 | 111.9 | V141 P145 L157 N158 S164 K165 S166 F185 I398 | V141-M161 HydrophobicContact CB-CE 4.37Å; V141-M161 HydrophobicContact CB-SD 4.49Å; V141-M161 HydrophobicContact CG1-CE 4.34Å; V141-M161 HydrophobicContact CG1-SD 4.06Å; V141-M161 HydrophobicContact CG2-CE 4.36Å; V141-M161 HydrophobicContact CG2-CG 4.35Å; V141-M161 HydrophobicContact CG2-SD 4.21Å; P145-M161 HydrophobicContact CG-CE 4.06Å; L157-M161 HydrophobicContact CB-CE 4.32Å; L157-M161 WeakPolarHBondContact O-CB 3.16Å; L157-M161 VanDerWaalsContact O-CG 3.24Å; L157-M161 WeakPolarHBondContact O-CG 3.45Å; L157-M161 PolarHBondContact O-N 3.07Å; N158-M161 PolarHBondContact O-N 3.49Å; M161-S164 PolarHBondContact O-N 3.42Å; M161-S164 PolarHBondContact O-OG 3.04Å; M161-S164 VanDerWaalsContact O-OG 3.09Å; M161-K165 PolarHBondContact O-N 2.87Å; M161-S166 PolarHBondContact O-N 2.76Å; M161-F185 HydrophobicContact CB-CD2 4.43Å; M161-F185 HydrophobicContact CE-CD1 4.17Å; M161-F185 HydrophobicContact CE-CD2 4.46Å; M161-F185 HydrophobicContact CE-CE1 3.6Å; M161-F185 HydrophobicContact CE-CE2 3.94Å; M161-F185 HydrophobicContact CE-CZ 3.49Å; M161-F185 VanDerWaalsContact CE-CZ 3.49Å; M161-F185 HydrophobicContact CG-CB 4.41Å; M161-F185 HydrophobicContact CG-CD1 4.24Å; M161-F185 HydrophobicContact CG-CD2 3.52Å; M161-F185 HydrophobicContact CG-CE1 4.45Å; M161-F185 HydrophobicContact CG-CE2 3.77Å; M161-F185 HydrophobicContact CG-CG 3.79Å; M161-F185 HydrophobicContact CG-CZ 4.24Å; M161-I398 HydrophobicContact CE-CD1 4.36Å; M161-I398 HydrophobicContact SD-CG2 3.59Å; M161-I398 VanDerWaalsContact SD-CG2 3.59Å |
| 162 | K | 96.8 | Very high | 96.3 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.7 | -74.3 | 178.4 | -178.2 | -151 | 0 | 111.9 | N158 T159 W160 S164 K165 E399 | N158-K162 WeakPolarHBondContact ND2-CE 3.22Å; N158-K162 WeakPolarHBondContact O-CB 3.48Å; N158-K162 VanDerWaalsContact O-CG 3.29Å; N158-K162 WeakPolarHBondContact O-CG 3.49Å; N158-K162 PolarHBondContact O-N 3.17Å; T159-K162 PolarHBondContact O-N 2.87Å; W160-K162 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact C-N 3.3Å; K162-S164 PolarHBondContact O-N 2.8Å; K162-K165 PolarHBondContact O-N 2.96Å; K162-K165 VanDerWaalsContact O-N 3.12Å; K162-E399 WeakPolarHBondContact CE-OE2 3.45Å; K162-E399 IonicContact NZ-OE2 3.39Å; K162-E399 PolarHBondContact NZ-OE2 2.86Å |
| 163 | S | 96.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 179 | -176 | 0 | 0 | 0 | 0 | 112.7 | T159 W160 K165 | T159-S163 WeakPolarHBondContact O-CB 3.28Å; T159-S163 PolarHBondContact O-N 2.94Å; W160-S163 PolarHBondContact O-N 3.21Å; S163-K165 VanDerWaalsContact C-N 3.35Å |
| 164 | S | 96.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86.4 | -2.9 | 176.3 | 63 | 0 | 0 | 0 | 0 | 114.1 | W160 M161 K162 S166 P184 F185 | W160-S164 PolarHBondContact O-N 3.28Å; W160-S164 PolarHBondContact O-OG 2.91Å; W160-S164 VanDerWaalsContact O-OG 3.1Å; M161-S164 PolarHBondContact O-N 3.42Å; M161-S164 PolarHBondContact O-OG 3.04Å; M161-S164 VanDerWaalsContact O-OG 3.09Å; K162-S164 VanDerWaalsContact C-N 3.3Å; K162-S164 PolarHBondContact O-N 2.8Å; S164-S166 PolarHBondContact O-N 2.82Å; S164-S166 WeakPolarHBondContact OG-CB 3.35Å; S164-S166 PolarHBondContact OG-OG 3.24Å; S164-P184 WeakPolarHBondContact CB-O 3.44Å; S164-F185 WeakPolarHBondContact OG-CA 3.11Å; S164-F185 WeakPolarHBondContact OG-CB 3.41Å |
| 165 | K | 96.7 | Very high | 97.1 | Very high | 184 Ų | 184 | 50.2 Ų | 50.2 | 80% | 0.8 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.3 | -172.4 | -54.1 | 178.8 | -179.8 | -179.9 | 0 | 112.8 | M161 K162 S163 | M161-K165 PolarHBondContact O-N 2.87Å; K162-K165 PolarHBondContact O-N 2.96Å; K162-K165 VanDerWaalsContact O-N 3.12Å; S163-K165 VanDerWaalsContact C-N 3.35Å |
| 166 | S | 97.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -83.1 | 125.9 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | M161 S164 F185 | M161-S166 PolarHBondContact O-N 2.76Å; S164-S166 PolarHBondContact O-N 2.82Å; S164-S166 WeakPolarHBondContact OG-CB 3.35Å; S164-S166 PolarHBondContact OG-OG 3.24Å; S166-F185 WeakPolarHBondContact OG-CB 3.35Å | ||
| 167 | V | 96.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | trans | -117.8 | 174.4 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | L77 N138 L169 | L77-V167 HydrophobicContact CD1-CG2 4.18Å; L77-V167 HydrophobicContact CD2-CB 4.4Å; L77-V167 HydrophobicContact CD2-CG2 4.35Å; N138-V167 WeakPolarHBondContact CB-O 3.26Å; N138-V167 PolarHBondContact ND2-O 3.08Å; V167-L169 VanDerWaalsContact C-N 3.29Å; V167-L169 WeakPolarHBondContact CG2-O 3.35Å; V167-L169 PolarHBondContact O-N 2.64Å | ||
| 168 | M | 96.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -62.5 | -31.4 | -174.3 | 175.7 | 174.7 | 176.3 | 0 | 0 | 114.2 | L77 L137 N138 V392 A400 L401 V404 Y408 | L77-M168 HydrophobicContact CD2-CB 3.91Å; L137-M168 HydrophobicContact CD1-CE 3.8Å; L137-M168 HydrophobicContact CD1-CG 3.92Å; N138-M168 WeakPolarHBondContact CB-O 3.19Å; N138-M168 PolarHBondContact N-O 3.35Å; M168-V392 HydrophobicContact CE-CB 4.41Å; M168-V392 HydrophobicContact CE-CG1 3.54Å; M168-V392 HydrophobicContact CE-CG2 4.06Å; M168-A400 WeakPolarHBondContact CB-O 3.41Å; M168-L401 HydrophobicContact CB-CD2 4.07Å; M168-L401 HydrophobicContact CG-CD2 3.92Å; M168-L401 HydrophobicContact SD-CD2 3.86Å; M168-V404 HydrophobicContact CE-CG2 4.02Å; M168-V404 HydrophobicContact SD-CG2 3.72Å; M168-Y408 WeakPolarHBondContact CE-OH 3.34Å |
| 169 | L | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 151.2 | 175.6 | -59.4 | -179.2 | 0 | 0 | 0 | 110 | V70 P73 V76 L77 C136 L137 V167 | V70-L169 HydrophobicContact CB-CD1 4.49Å; V70-L169 HydrophobicContact CG1-CD1 3.94Å; V70-L169 HydrophobicContact CG2-CD2 4.29Å; P73-L169 HydrophobicContact CB-CD1 3.76Å; V76-L169 HydrophobicContact CB-CD1 4.01Å; V76-L169 HydrophobicContact CG1-CD1 3.99Å; L77-L169 HydrophobicContact CD1-CB 4.39Å; L77-L169 HydrophobicContact CD2-CB 4.26Å; L77-L169 HydrophobicContact CD2-CD1 4.48Å; L77-L169 HydrophobicContact CD2-CG 4.11Å; L77-L169 HydrophobicContact CG-CB 4.49Å; L77-L169 HydrophobicContact CG-CD1 4.21Å; L77-L169 HydrophobicContact CG-CG 4.35Å; C136-L169 CarbonylContact O-C 3.58Å; C136-L169 WeakPolarHBondContact O-CA 3.2Å; L137-L169 HydrophobicContact CD1-CD2 4.16Å; V167-L169 VanDerWaalsContact C-N 3.29Å; V167-L169 WeakPolarHBondContact CG2-O 3.35Å; V167-L169 PolarHBondContact O-N 2.64Å |
| 170 | Q | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.1 | -179.5 | 60.4 | 173.8 | -15.8 | 0 | 0 | 111.1 | T135 C136 L137 N138 R172 Y181 | T135-Q170 WeakPolarHBondContact CA-O 3.46Å; C136-Q170 PolarHBondContact N-O 3.46Å; C136-Q170 PolarHBondContact O-N 3.09Å; L137-Q170 PolarHBondContact O-NE2 3.01Å; N138-Q170 HydrophobicContact CB-CB 4.41Å; N138-Q170 HydrophobicContact CB-CG 4.05Å; Q170-R172 HydrophobicContact CG-CG 4.03Å; Q170-Y181 PolarHBondContact NE2-OH 3.08Å |
| 171 | N | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 43.3 Ų | 43.3 | 56% | 0.561 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.9 | 171.2 | -65 | -1.5 | 0 | 0 | 0 | 108.6 | T133 I134 T135 | T133-N171 HydrophobicContact CG2-CB 3.85Å; I134-N171 WeakPolarHBondContact O-CA 3.47Å; T135-N171 PolarHBondContact OG1-OD1 3.46Å |
| 172 | R | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152 | 176.9 | -69.4 | -64 | 175.1 | -176.4 | -2.8 | 110.4 | T133 I134 Q170 E176 I177 Y181 | T133-R172 WeakPolarHBondContact CA-O 3.22Å; I134-R172 PolarHBondContact N-O 3.4Å; I134-R172 PolarHBondContact O-N 2.02Å; Q170-R172 HydrophobicContact CG-CG 4.03Å; R172-E176 WeakPolarHBondContact CA-OE2 3.48Å; R172-E176 HydrophobicContact CB-CB 4.25Å; R172-E176 VanDerWaalsContact CD-OE2 3.24Å; R172-E176 WeakPolarHBondContact CD-OE2 3.11Å; R172-E176 IonicContact NH1-OE1 3.79Å; R172-E176 PolarHBondContact NH1-OE1 2.84Å; R172-E176 IonicContact NH1-OE2 2.79Å; R172-I177 HydrophobicContact CB-CB 4.42Å; R172-Y181 HydrophobicContact CG-CE1 4.37Å; R172-Y181 VanDerWaalsContact CZ-CE2 3.41Å; R172-Y181 VanDerWaalsContact NH2-CD2 3.31Å; R172-Y181 VanDerWaalsContact NH2-CE2 3.29Å |
| 173 | T | 98.7 | Very high | 97.8 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 158.4 | 168.8 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | E130 D132 K175 E176 I177 | E130-T173 WeakPolarHBondContact O-CB 3.4Å; D132-T173 CarbonylContact O-C 3.52Å; D132-T173 WeakPolarHBondContact O-CA 3.46Å; T173-K175 PolarHBondContact O-N 3.14Å; T173-E176 PolarHBondContact N-OE2 3.1Å; T173-E176 PolarHBondContact O-N 3.11Å; T173-E176 VanDerWaalsContact O-N 3.16Å; T173-E176 WeakPolarHBondContact OG1-CG 3.44Å; T173-E176 PolarHBondContact OG1-N 2.82Å; T173-I177 WeakPolarHBondContact O-CG2 3.27Å; T173-I177 PolarHBondContact O-N 2.89Å |
| 174 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.7 | -42.8 | 171.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | I67 Y91 E130 D132 I134 I177 L178 | I67-V174 HydrophobicContact CD1-CB 4.35Å; I67-V174 HydrophobicContact CD1-CG1 4.02Å; I67-V174 HydrophobicContact CD1-CG2 4.06Å; Y91-V174 HydrophobicContact CD1-CB 4.49Å; Y91-V174 HydrophobicContact CD1-CG1 3.95Å; Y91-V174 HydrophobicContact CD1-CG2 4.1Å; Y91-V174 HydrophobicContact CD2-CG1 4.03Å; Y91-V174 HydrophobicContact CD2-CG2 4.02Å; Y91-V174 HydrophobicContact CE1-CB 4.47Å; Y91-V174 HydrophobicContact CE1-CG1 4.4Å; Y91-V174 HydrophobicContact CE1-CG2 3.7Å; Y91-V174 HydrophobicContact CE2-CG1 4.46Å; Y91-V174 HydrophobicContact CE2-CG2 3.59Å; Y91-V174 HydrophobicContact CG-CG1 3.76Å; Y91-V174 HydrophobicContact CG-CG2 4.26Å; Y91-V174 VanDerWaalsContact CZ-CG2 3.43Å; E130-V174 PolarHBondContact O-N 3.28Å; D132-V174 HydrophobicContact CB-CG2 4.05Å; D132-V174 PolarHBondContact O-N 2.98Å; I134-V174 HydrophobicContact CD1-CG2 3.83Å; I134-V174 HydrophobicContact CG1-CG2 4.48Å; V174-I177 WeakPolarHBondContact O-CG2 3.31Å; V174-L178 HydrophobicContact CG1-CD1 3.7Å; V174-L178 HydrophobicContact CG1-CG 4.39Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.25Å; V174-L178 PolarHBondContact O-N 2.78Å; V174-L178 VanDerWaalsContact O-N 3.11Å |
| 175 | K | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 42.7 Ų | 42.7 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60 | -48.3 | 177.4 | -161.5 | 171.1 | -174.1 | 149.9 | 0 | 112.5 | E130 T173 W179 | E130-K175 HydrophobicContact CB-CB 4.09Å; E130-K175 HydrophobicContact CB-CD 4.49Å; E130-K175 WeakPolarHBondContact O-CB 3.32Å; E130-K175 PolarHBondContact O-N 2.98Å; E130-K175 IonicContact OE2-NZ 3.02Å; E130-K175 PolarHBondContact OE2-NZ 3.48Å; T173-K175 PolarHBondContact O-N 3.14Å; K175-W179 WeakPolarHBondContact O-CB 3.4Å; K175-W179 PolarHBondContact O-N 2.88Å |
| 176 | E | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 35 Ų | 35 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.5 | -51.6 | -178.2 | -77.4 | -177.4 | 124.3 | 0 | 0 | 110.5 | R172 T173 L178 G180 Y181 | R172-E176 WeakPolarHBondContact CA-OE2 3.48Å; R172-E176 HydrophobicContact CB-CB 4.25Å; R172-E176 VanDerWaalsContact CD-OE2 3.24Å; R172-E176 WeakPolarHBondContact CD-OE2 3.11Å; R172-E176 IonicContact NH1-OE1 3.79Å; R172-E176 PolarHBondContact NH1-OE1 2.84Å; R172-E176 IonicContact NH1-OE2 2.79Å; T173-E176 PolarHBondContact N-OE2 3.1Å; T173-E176 PolarHBondContact O-N 3.11Å; T173-E176 VanDerWaalsContact O-N 3.16Å; T173-E176 WeakPolarHBondContact OG1-CG 3.44Å; T173-E176 PolarHBondContact OG1-N 2.82Å; E176-L178 PolarHBondContact O-N 2.92Å; E176-G180 CarbonylContact O-C 3.39Å; E176-G180 VanDerWaalsContact O-C 3.25Å; E176-G180 VanDerWaalsContact O-CA 3.3Å; E176-G180 WeakPolarHBondContact O-CA 3.44Å; E176-G180 PolarHBondContact O-N 2.83Å; E176-Y181 HydrophobicContact CB-CD1 4.07Å; E176-Y181 HydrophobicContact CB-CG 4.29Å; E176-Y181 WeakPolarHBondContact O-CD1 3.31Å |
| 177 | I | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -35.9 | -174.9 | -167.5 | 59.9 | 0 | 0 | 0 | 112.4 | I67 L139 R172 T173 V174 G198 V199 | I67-I177 HydrophobicContact CD1-CG2 3.87Å; L139-I177 HydrophobicContact CD1-CD1 3.74Å; L139-I177 HydrophobicContact CG-CD1 4.1Å; R172-I177 HydrophobicContact CB-CB 4.42Å; T173-I177 WeakPolarHBondContact O-CG2 3.27Å; T173-I177 PolarHBondContact O-N 2.89Å; V174-I177 WeakPolarHBondContact O-CG2 3.31Å; I177-G198 WeakPolarHBondContact O-CA 3.16Å; I177-V199 HydrophobicContact CD1-CG2 4.47Å; I177-V199 HydrophobicContact CG1-CG2 4.3Å; I177-V199 PolarHBondContact O-N 3.21Å |
| 178 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.2 | -54.7 | 178.2 | -67.4 | 177.2 | 0 | 0 | 0 | 112 | F65 Y93 V174 E176 F200 L413 | F65-L178 HydrophobicContact CB-CD2 4.46Å; F65-L178 HydrophobicContact CD1-CD2 3.97Å; F65-L178 HydrophobicContact CD2-CD1 3.72Å; F65-L178 HydrophobicContact CD2-CD2 4.2Å; F65-L178 HydrophobicContact CE1-CD2 4.2Å; F65-L178 HydrophobicContact CE2-CD1 4.06Å; F65-L178 HydrophobicContact CE2-CD2 4.4Å; F65-L178 HydrophobicContact CG-CD1 4.16Å; F65-L178 HydrophobicContact CG-CD2 3.96Å; F65-L178 HydrophobicContact CZ-CD2 4.37Å; Y93-L178 HydrophobicContact CE2-CD1 3.87Å; V174-L178 HydrophobicContact CG1-CD1 3.7Å; V174-L178 HydrophobicContact CG1-CG 4.39Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.25Å; V174-L178 PolarHBondContact O-N 2.78Å; V174-L178 VanDerWaalsContact O-N 3.11Å; E176-L178 PolarHBondContact O-N 2.92Å; L178-F200 HydrophobicContact CD2-CD2 3.94Å; L178-F200 HydrophobicContact CD2-CE2 3.8Å; L178-F200 WeakPolarHBondContact O-CA 3.23Å; L178-F200 WeakPolarHBondContact O-CB 3.21Å; L178-F200 PolarHBondContact O-N 3.24Å; L178-L413 HydrophobicContact CD2-CD2 3.49Å; L178-L413 VanDerWaalsContact CD2-CD2 3.49Å |
| 179 | W | 98.2 | Very high | 97.4 | Very high | 43 Ų | 43 | 40 Ų | 40 | 16% | 0.163 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -105.8 | -12.6 | -162.9 | -51 | 122.1 | 0 | 0 | 0 | 114.5 | F65 Y93 A119 K175 F200 Y201 Y203 | F65-W179 HydrophobicContact CE2-CH2 4.18Å; F65-W179 HydrophobicContact CE2-CZ2 4.11Å; F65-W179 HydrophobicContact CZ-CH2 4.2Å; Y93-W179 AromaticContact CD1-CZ2 3.74Å; Y93-W179 HydrophobicContact CD1-CZ2 3.74Å; Y93-W179 HydrophobicContact CD2-CZ2 4.2Å; Y93-W179 AromaticContact CE1-CE2 3.72Å; Y93-W179 AromaticContact CE1-CZ2 3.55Å; Y93-W179 HydrophobicContact CE1-CZ2 3.55Å; Y93-W179 AromaticContact CE1-NE1 3.36Å; Y93-W179 HydrophobicContact CE2-CZ2 4.06Å; Y93-W179 HydrophobicContact CG-CZ2 4.05Å; Y93-W179 AromaticContact CZ-CE2 3.83Å; Y93-W179 AromaticContact CZ-CZ2 3.72Å; Y93-W179 AromaticContact CZ-NE1 3.33Å; Y93-W179 VanDerWaalsContact CZ-NE1 3.33Å; Y93-W179 PolarHBondContact OH-NE1 3.22Å; A119-W179 HydrophobicContact CB-CH2 3.61Å; A119-W179 HydrophobicContact CB-CZ2 3.82Å; A119-W179 HydrophobicContact CB-CZ3 4.35Å; K175-W179 WeakPolarHBondContact O-CB 3.4Å; K175-W179 PolarHBondContact O-N 2.88Å; W179-F200 HydrophobicContact CE3-CB 3.98Å; W179-F200 HydrophobicContact CZ3-CB 3.74Å; W179-F200 HydrophobicContact CZ3-CD2 4.47Å; W179-F200 HydrophobicContact CZ3-CG 4.26Å; W179-Y201 VanDerWaalsContact O-CD2 3.24Å; W179-Y201 WeakPolarHBondContact O-CD2 3.5Å; W179-Y203 HydrophobicContact CE3-CD1 4.35Å; W179-Y203 HydrophobicContact CE3-CG 4.26Å; W179-Y203 HydrophobicContact CH2-CD1 4.16Å; W179-Y203 AromaticContact CZ3-CD1 3.58Å; W179-Y203 HydrophobicContact CZ3-CD1 3.58Å; W179-Y203 HydrophobicContact CZ3-CD2 4.41Å; W179-Y203 HydrophobicContact CZ3-CE1 4.29Å; W179-Y203 AromaticContact CZ3-CG 3.65Å; W179-Y203 HydrophobicContact CZ3-CG 3.65Å |
| 180 | G | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | trans | 127.3 | 143.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E176 L197 | E176-G180 CarbonylContact O-C 3.39Å; E176-G180 VanDerWaalsContact O-C 3.25Å; E176-G180 VanDerWaalsContact O-CA 3.3Å; E176-G180 WeakPolarHBondContact O-CA 3.44Å; E176-G180 PolarHBondContact O-N 2.83Å; G180-L197 CarbonylContact C-O 3.55Å; G180-L197 VanDerWaalsContact CA-O 3.23Å; G180-L197 WeakPolarHBondContact CA-O 3.39Å | ||
| 181 | Y | 98.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 155.5 | 168.2 | 63.1 | -83.6 | 0 | 0 | 0 | 109.8 | Q170 R172 E176 D183 V196 L197 | Q170-Y181 PolarHBondContact NE2-OH 3.08Å; R172-Y181 HydrophobicContact CG-CE1 4.37Å; R172-Y181 VanDerWaalsContact CZ-CE2 3.41Å; R172-Y181 VanDerWaalsContact NH2-CD2 3.31Å; R172-Y181 VanDerWaalsContact NH2-CE2 3.29Å; E176-Y181 HydrophobicContact CB-CD1 4.07Å; E176-Y181 HydrophobicContact CB-CG 4.29Å; E176-Y181 WeakPolarHBondContact O-CD1 3.31Å; Y181-D183 HydrophobicContact CD2-CB 4.41Å; Y181-D183 HydrophobicContact CE2-CB 3.89Å; Y181-D183 PolarHBondContact O-N 2.96Å; Y181-V196 VanDerWaalsContact O-CA 3.29Å; Y181-V196 WeakPolarHBondContact O-CA 3.08Å; Y181-L197 WeakPolarHBondContact CD1-O 3.14Å; Y181-L197 HydrophobicContact CE1-CD1 3.8Å; Y181-L197 HydrophobicContact CE1-CG 4.3Å; Y181-L197 HydrophobicContact CE2-CG 4.47Å; Y181-L197 PolarHBondContact N-O 3.35Å; Y181-L197 PolarHBondContact O-N 2.94Å; Y181-L197 WeakPolarHBondContact OH-CD1 3.41Å |
| 182 | K | 97.9 | Very high | 95.8 | Very high | 140 Ų | 140 | 51.1 Ų | 51.1 | 61% | 0.609 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 112.3 | 172.5 | -175.6 | 172.3 | -178.7 | 177 | 0 | 109.2 | S187 P195 V196 | K182-S187 WeakPolarHBondContact CE-OG 3.35Å; K182-S187 WeakPolarHBondContact CG-OG 3.26Å; K182-P195 HydrophobicContact CD-CG 4.36Å; K182-P195 HydrophobicContact CG-CB 4.14Å; K182-P195 HydrophobicContact CG-CG 4.01Å; K182-V196 HydrophobicContact CB-CG2 4.46Å |
| 183 | D | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -75.5 | 128.3 | -178.8 | -179 | -99 | 0 | 0 | 0 | 111.5 | A140 Y181 F185 L186 S187 P195 L197 | A140-D183 HydrophobicContact CB-CB 4.37Å; Y181-D183 HydrophobicContact CD2-CB 4.41Å; Y181-D183 HydrophobicContact CE2-CB 3.89Å; Y181-D183 PolarHBondContact O-N 2.96Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 2.82Å; D183-F185 VanDerWaalsContact OD1-CA 3.31Å; D183-F185 WeakPolarHBondContact OD1-CA 3.24Å; D183-F185 WeakPolarHBondContact OD1-CB 3.24Å; D183-F185 PolarHBondContact OD1-N 2.82Å; D183-L186 HydrophobicContact CB-CB 4.12Å; D183-L186 HydrophobicContact CB-CD1 4.26Å; D183-L186 HydrophobicContact CB-CG 3.98Å; D183-L186 PolarHBondContact OD1-N 2.8Å; D183-S187 WeakPolarHBondContact O-CB 3.03Å; D183-S187 PolarHBondContact O-N 3.37Å; D183-S187 PolarHBondContact O-OG 3.41Å; D183-P195 PolarHBondContact N-O 2.58Å; D183-L197 HydrophobicContact CB-CD2 3.62Å; D183-L197 HydrophobicContact CB-CG 4.5Å | ||
| 184 | P | 96.8 | Very high | 95 | Very high | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.2 | 179.3 | -26 | 35.4 | 0 | 0 | 0 | 114.1 | S164 K188 | S164-P184 WeakPolarHBondContact CB-O 3.44Å; P184-K188 WeakPolarHBondContact O-CG 3.37Å |
| 185 | F | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -48.9 | 179.6 | 146.1 | -119.2 | 0 | 0 | 0 | 110.7 | A140 V141 A144 L157 W160 M161 S164 S166 D183 S187 K188 I189 | A140-F185 HydrophobicContact CB-CD1 3.67Å; A140-F185 HydrophobicContact CB-CE1 3.97Å; V141-F185 HydrophobicContact CG2-CD1 4.41Å; A144-F185 HydrophobicContact CB-CE1 3.83Å; A144-F185 HydrophobicContact CB-CZ 3.84Å; L157-F185 HydrophobicContact CD2-CE2 4.03Å; L157-F185 HydrophobicContact CD2-CZ 3.74Å; W160-F185 HydrophobicContact CB-CD2 3.97Å; W160-F185 HydrophobicContact CB-CE2 4.1Å; M161-F185 HydrophobicContact CB-CD2 4.43Å; M161-F185 HydrophobicContact CE-CD1 4.17Å; M161-F185 HydrophobicContact CE-CD2 4.46Å; M161-F185 HydrophobicContact CE-CE1 3.6Å; M161-F185 HydrophobicContact CE-CE2 3.94Å; M161-F185 HydrophobicContact CE-CZ 3.49Å; M161-F185 VanDerWaalsContact CE-CZ 3.49Å; M161-F185 HydrophobicContact CG-CB 4.41Å; M161-F185 HydrophobicContact CG-CD1 4.24Å; M161-F185 HydrophobicContact CG-CD2 3.52Å; M161-F185 HydrophobicContact CG-CE1 4.45Å; M161-F185 HydrophobicContact CG-CE2 3.77Å; M161-F185 HydrophobicContact CG-CG 3.79Å; M161-F185 HydrophobicContact CG-CZ 4.24Å; S164-F185 WeakPolarHBondContact OG-CA 3.11Å; S164-F185 WeakPolarHBondContact OG-CB 3.41Å; S166-F185 WeakPolarHBondContact OG-CB 3.35Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 2.82Å; D183-F185 VanDerWaalsContact OD1-CA 3.31Å; D183-F185 WeakPolarHBondContact OD1-CA 3.24Å; D183-F185 WeakPolarHBondContact OD1-CB 3.24Å; D183-F185 PolarHBondContact OD1-N 2.82Å; F185-S187 PolarHBondContact O-N 2.7Å; F185-K188 WeakPolarHBondContact O-CB 3.45Å; F185-K188 PolarHBondContact O-N 3.13Å; F185-I189 HydrophobicContact CE2-CD1 4.05Å; F185-I189 HydrophobicContact CE2-CG1 4.35Å; F185-I189 HydrophobicContact CZ-CD1 4.06Å |
| 186 | L | 95.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60.4 | -32.8 | 176.7 | -62.7 | -168.2 | 0 | 0 | 0 | 112 | A140 D183 K188 I189 L193 P195 L197 | A140-L186 HydrophobicContact CB-CD1 4.18Å; A140-L186 HydrophobicContact CB-CD2 3.97Å; A140-L186 HydrophobicContact CB-CG 3.84Å; D183-L186 HydrophobicContact CB-CB 4.12Å; D183-L186 HydrophobicContact CB-CD1 4.26Å; D183-L186 HydrophobicContact CB-CG 3.98Å; D183-L186 PolarHBondContact OD1-N 2.8Å; L186-K188 PolarHBondContact O-N 2.92Å; L186-I189 HydrophobicContact CD2-CD1 3.86Å; L186-I189 WeakPolarHBondContact O-CB 3.4Å; L186-I189 PolarHBondContact O-N 2.61Å; L186-I189 VanDerWaalsContact O-N 3.17Å; L186-L193 HydrophobicContact CB-CD2 3.91Å; L186-L193 HydrophobicContact CD2-CD2 4.08Å; L186-L193 HydrophobicContact CG-CD2 4.38Å; L186-P195 HydrophobicContact CB-CB 3.98Å; L186-L197 HydrophobicContact CD1-CD2 3.52Å; L186-L197 HydrophobicContact CG-CD2 4.33Å |
| 187 | S | 95.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 53 Ų | 53 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -66.6 | -14.3 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 114.3 | K182 D183 F185 P195 | K182-S187 WeakPolarHBondContact CE-OG 3.35Å; K182-S187 WeakPolarHBondContact CG-OG 3.26Å; D183-S187 WeakPolarHBondContact O-CB 3.03Å; D183-S187 PolarHBondContact O-N 3.37Å; D183-S187 PolarHBondContact O-OG 3.41Å; F185-S187 PolarHBondContact O-N 2.7Å; S187-P195 WeakPolarHBondContact OG-CB 3.42Å |
| 188 | K | 94.1 | Very high | 94.7 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -90.9 | -9.9 | 175.9 | -66.4 | -66.9 | -175.8 | 177.6 | 0 | 113.2 | W160 P184 F185 L186 | W160-K188 HydrophobicContact CB-CB 4.07Å; W160-K188 HydrophobicContact CG-CB 4.32Å; P184-K188 WeakPolarHBondContact O-CG 3.37Å; F185-K188 WeakPolarHBondContact O-CB 3.45Å; F185-K188 PolarHBondContact O-N 3.13Å; L186-K188 PolarHBondContact O-N 2.92Å |
| 189 | I | 91.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -74.2 | 124.2 | -177.8 | -59.9 | -178.1 | 0 | 0 | 0 | 108.7 | W160 F185 L186 F191 L193 | W160-I189 HydrophobicContact CD2-CG1 4.25Å; W160-I189 HydrophobicContact CE3-CD1 4.35Å; W160-I189 HydrophobicContact CE3-CG1 3.73Å; W160-I189 HydrophobicContact CH2-CG2 4.38Å; W160-I189 HydrophobicContact CZ3-CG1 4.08Å; W160-I189 HydrophobicContact CZ3-CG2 4.18Å; F185-I189 HydrophobicContact CE2-CD1 4.05Å; F185-I189 HydrophobicContact CE2-CG1 4.35Å; F185-I189 HydrophobicContact CZ-CD1 4.06Å; L186-I189 HydrophobicContact CD2-CD1 3.86Å; L186-I189 WeakPolarHBondContact O-CB 3.4Å; L186-I189 PolarHBondContact O-N 2.61Å; L186-I189 VanDerWaalsContact O-N 3.17Å; I189-F191 HydrophobicContact CG2-CD2 4.01Å; I189-F191 PolarHBondContact O-N 3.43Å; I189-L193 HydrophobicContact CB-CD2 4.02Å; I189-L193 HydrophobicContact CD1-CD2 3.66Å; I189-L193 HydrophobicContact CG1-CD2 4.28Å; I189-L193 HydrophobicContact CG2-CD2 4.3Å | ||
| 190 | P | 88.1 | Confident | 94.6 | Very high | 93 Ų | 93 | 55 Ų | 55 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -80.9 | 3.7 | -170.8 | 32.9 | -36.7 | 0 | 0 | 0 | 114.3 | W160 | W160-P190 HydrophobicContact CH2-CG 4.46Å; W160-P190 HydrophobicContact CZ2-CG 3.8Å |
| 191 | F | 85.9 | Confident | 94.6 | Very high | 134 Ų | 134 | 58 Ų | 58 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -107.6 | 156.1 | -179.6 | -50.3 | -74 | 0 | 0 | 0 | 111 | W160 I189 L193 | W160-F191 HydrophobicContact CH2-CE2 4.12Å; I189-F191 HydrophobicContact CG2-CD2 4.01Å; I189-F191 PolarHBondContact O-N 3.43Å; F191-L193 PolarHBondContact O-N 2.93Å |
| 192 | P | 86.9 | Confident | 94.5 | Very high | 142 Ų | 142 | 61.5 Ų | 61.5 | 92% | 0.922 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -58.2 | 110.3 | -179.6 | -24 | 34.3 | 0 | 0 | 0 | 112.4 | ||
| 193 | L | 89.4 | Confident | 94.4 | Very high | 81 Ų | 81 | 56 Ų | 56 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | trans | -149.1 | 141.8 | -177.7 | 157.7 | 71.4 | 0 | 0 | 0 | 108 | L186 I189 F191 P195 | L186-L193 HydrophobicContact CB-CD2 3.91Å; L186-L193 HydrophobicContact CD2-CD2 4.08Å; L186-L193 HydrophobicContact CG-CD2 4.38Å; I189-L193 HydrophobicContact CB-CD2 4.02Å; I189-L193 HydrophobicContact CD1-CD2 3.66Å; I189-L193 HydrophobicContact CG1-CD2 4.28Å; I189-L193 HydrophobicContact CG2-CD2 4.3Å; F191-L193 PolarHBondContact O-N 2.93Å; L193-P195 VanDerWaalsContact O-CD 3.28Å; L193-P195 WeakPolarHBondContact O-CD 3.5Å | ||
| 194 | N | 92.4 | Very high | 94.2 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -78.3 | 115.4 | 166.1 | -175 | -2.6 | 0 | 0 | 0 | 109.2 | V196 Y201 | N194-V196 PolarHBondContact O-N 2.83Å; N194-V196 WeakPolarHBondContact OD1-CB 3.2Å; N194-V196 PolarHBondContact OD1-N 3.24Å; N194-Y201 PolarHBondContact ND2-OH 3.34Å | ||
| 195 | P | 95.6 | Very high | 94 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | trans | -79 | -2.8 | -180 | 34.3 | -36.9 | 0 | 0 | 0 | 113.2 | K182 D183 L186 S187 L193 | K182-P195 HydrophobicContact CD-CG 4.36Å; K182-P195 HydrophobicContact CG-CB 4.14Å; K182-P195 HydrophobicContact CG-CG 4.01Å; D183-P195 PolarHBondContact N-O 2.58Å; L186-P195 HydrophobicContact CB-CB 3.98Å; S187-P195 WeakPolarHBondContact OG-CB 3.42Å; L193-P195 VanDerWaalsContact O-CD 3.28Å; L193-P195 WeakPolarHBondContact O-CD 3.5Å | ||
| 196 | V | 97 | Very high | 94 | Very high | 42 Ų | 42 | 63 Ų | 63 | 26% | 0.255 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.2 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | Y181 K182 N194 Y201 | Y181-V196 VanDerWaalsContact O-CA 3.29Å; Y181-V196 WeakPolarHBondContact O-CA 3.08Å; K182-V196 HydrophobicContact CB-CG2 4.46Å; N194-V196 PolarHBondContact O-N 2.83Å; N194-V196 WeakPolarHBondContact OD1-CB 3.2Å; N194-V196 PolarHBondContact OD1-N 3.24Å; V196-Y201 HydrophobicContact CB-CD1 4.45Å; V196-Y201 HydrophobicContact CB-CE1 3.76Å; V196-Y201 HydrophobicContact CB-CE2 4.35Å; V196-Y201 HydrophobicContact CG1-CD1 4.03Å; V196-Y201 HydrophobicContact CG1-CD2 3.95Å; V196-Y201 HydrophobicContact CG1-CE1 3.68Å; V196-Y201 HydrophobicContact CG1-CE2 3.59Å; V196-Y201 HydrophobicContact CG1-CG 4.15Å; V196-Y201 VanDerWaalsContact CG1-CZ 3.44Å; V196-Y201 WeakPolarHBondContact O-CD1 3.44Å; V196-Y201 VanDerWaalsContact O-CE1 3.28Å; V196-Y201 WeakPolarHBondContact O-CE1 3.38Å |
| 197 | L | 96.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.2 | 177.8 | 72.5 | 97.4 | 0 | 0 | 0 | 111.5 | L139 A140 G180 Y181 D183 L186 | L139-L197 HydrophobicContact CB-CD1 3.58Å; L139-L197 HydrophobicContact CD1-CD1 3.65Å; L139-L197 HydrophobicContact CG-CD1 4.1Å; A140-L197 HydrophobicContact CB-CD2 3.67Å; G180-L197 CarbonylContact C-O 3.55Å; G180-L197 VanDerWaalsContact CA-O 3.23Å; G180-L197 WeakPolarHBondContact CA-O 3.39Å; Y181-L197 WeakPolarHBondContact CD1-O 3.14Å; Y181-L197 HydrophobicContact CE1-CD1 3.8Å; Y181-L197 HydrophobicContact CE1-CG 4.3Å; Y181-L197 HydrophobicContact CE2-CG 4.47Å; Y181-L197 PolarHBondContact N-O 3.35Å; Y181-L197 PolarHBondContact O-N 2.94Å; Y181-L197 WeakPolarHBondContact OH-CD1 3.41Å; D183-L197 HydrophobicContact CB-CD2 3.62Å; D183-L197 HydrophobicContact CB-CG 4.5Å; L186-L197 HydrophobicContact CD1-CD2 3.52Å; L186-L197 HydrophobicContact CG-CD2 4.33Å |
| 198 | G | 97.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | trans | -170.2 | 167.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I177 F200 Y201 | I177-G198 WeakPolarHBondContact O-CA 3.16Å; G198-F200 VanDerWaalsContact C-N 3.27Å; G198-F200 PolarHBondContact O-N 2.85Å; G198-Y201 PolarHBondContact O-N 2.77Å | ||
| 199 | V | 97.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 21% | 0.212 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -38.9 | -177 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | L139 I177 V388 I412 L413 | L139-V199 HydrophobicContact CD1-CG2 4.25Å; I177-V199 HydrophobicContact CD1-CG2 4.47Å; I177-V199 HydrophobicContact CG1-CG2 4.3Å; I177-V199 PolarHBondContact O-N 3.21Å; V199-V388 HydrophobicContact CG1-CB 4.29Å; V199-V388 HydrophobicContact CG1-CG1 4Å; V199-V388 HydrophobicContact CG1-CG2 4.19Å; V199-I412 HydrophobicContact CG2-CG2 3.93Å; V199-L413 HydrophobicContact CB-CD2 4.22Å; V199-L413 HydrophobicContact CG1-CD2 4.09Å; V199-L413 HydrophobicContact CG1-CG 4.47Å; V199-L413 HydrophobicContact CG2-CD2 3.99Å |
| 200 | F | 97.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 12.7 | 178.9 | -58.3 | -80.4 | 0 | 0 | 0 | 112.8 | F65 L178 W179 G198 P202 Y203 L413 L415 | F65-F200 HydrophobicContact CD1-CE2 4.06Å; F65-F200 HydrophobicContact CD1-CZ 4.4Å; F65-F200 HydrophobicContact CE1-CD2 4.16Å; F65-F200 HydrophobicContact CE1-CE1 4.45Å; F65-F200 AromaticContact CE1-CE2 3.3Å; F65-F200 HydrophobicContact CE1-CE2 3.3Å; F65-F200 AromaticContact CE1-CZ 3.5Å; F65-F200 HydrophobicContact CE1-CZ 3.5Å; F65-F200 HydrophobicContact CZ-CD2 4.24Å; F65-F200 AromaticContact CZ-CE2 3.82Å; F65-F200 HydrophobicContact CZ-CE2 3.82Å; F65-F200 HydrophobicContact CZ-CZ 4.19Å; L178-F200 HydrophobicContact CD2-CD2 3.94Å; L178-F200 HydrophobicContact CD2-CE2 3.8Å; L178-F200 WeakPolarHBondContact O-CA 3.23Å; L178-F200 WeakPolarHBondContact O-CB 3.21Å; L178-F200 PolarHBondContact O-N 3.24Å; W179-F200 HydrophobicContact CE3-CB 3.98Å; W179-F200 HydrophobicContact CZ3-CB 3.74Å; W179-F200 HydrophobicContact CZ3-CD2 4.47Å; W179-F200 HydrophobicContact CZ3-CG 4.26Å; G198-F200 VanDerWaalsContact C-N 3.27Å; G198-F200 PolarHBondContact O-N 2.85Å; F200-P202 CarbonylContact O-C 3.57Å; F200-Y203 HydrophobicContact CB-CD2 4.33Å; F200-Y203 VanDerWaalsContact O-CB 3.3Å; F200-Y203 WeakPolarHBondContact O-CB 3.28Å; F200-Y203 PolarHBondContact O-N 3.48Å; F200-L413 HydrophobicContact CE2-CD1 4.19Å; F200-L413 HydrophobicContact CE2-CD2 4.22Å; F200-L413 HydrophobicContact CZ-CD1 4.22Å; F200-L415 HydrophobicContact CE1-CD2 4.11Å; F200-L415 HydrophobicContact CZ-CD2 3.68Å |
| 201 | Y | 96.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | trans | -79.4 | 134.7 | -179.1 | 175.8 | -99.6 | 0 | 0 | 0 | 112.4 | W179 N194 V196 G198 | W179-Y201 VanDerWaalsContact O-CD2 3.24Å; W179-Y201 WeakPolarHBondContact O-CD2 3.5Å; N194-Y201 PolarHBondContact ND2-OH 3.34Å; V196-Y201 HydrophobicContact CB-CD1 4.45Å; V196-Y201 HydrophobicContact CB-CE1 3.76Å; V196-Y201 HydrophobicContact CB-CE2 4.35Å; V196-Y201 HydrophobicContact CG1-CD1 4.03Å; V196-Y201 HydrophobicContact CG1-CD2 3.95Å; V196-Y201 HydrophobicContact CG1-CE1 3.68Å; V196-Y201 HydrophobicContact CG1-CE2 3.59Å; V196-Y201 HydrophobicContact CG1-CG 4.15Å; V196-Y201 VanDerWaalsContact CG1-CZ 3.44Å; V196-Y201 WeakPolarHBondContact O-CD1 3.44Å; V196-Y201 VanDerWaalsContact O-CE1 3.28Å; V196-Y201 WeakPolarHBondContact O-CE1 3.38Å; G198-Y201 PolarHBondContact O-N 2.77Å | ||
| 202 | P | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 53.8 Ų | 53.8 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | S | Bend | cis | -76.1 | 151.2 | -15.5 | 32.5 | -34.7 | 0 | 0 | 0 | 111.9 | F200 T206 | F200-P202 CarbonylContact O-C 3.57Å; P202-T206 HydrophobicContact CB-CG2 3.84Å; P202-T206 HydrophobicContact CG-CG2 3.95Å |
| 203 | Y | 96.5 | Very high | 96.1 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | trans | -124.8 | -74.1 | 176.5 | -162.2 | -108.1 | 0 | 0 | 0 | 112.1 | R63 N117 A119 W179 F200 G205 T206 | R63-Y203 VanDerWaalsContact NH1-CZ 3.27Å; R63-Y203 PolarHBondContact NH1-OH 3.05Å; R63-Y203 PolarHBondContact NH2-OH 3.08Å; R63-Y203 VanDerWaalsContact NH2-OH 3.11Å; N117-Y203 HydrophobicContact CB-CD1 4.3Å; N117-Y203 HydrophobicContact CB-CD2 4.1Å; N117-Y203 HydrophobicContact CB-CE1 4.14Å; N117-Y203 HydrophobicContact CB-CE2 3.93Å; N117-Y203 HydrophobicContact CB-CG 4.27Å; N117-Y203 VanDerWaalsContact CB-O 3.31Å; N117-Y203 WeakPolarHBondContact CB-O 3.34Å; A119-Y203 HydrophobicContact CB-CD1 4.09Å; A119-Y203 HydrophobicContact CB-CE1 3.91Å; W179-Y203 HydrophobicContact CE3-CD1 4.35Å; W179-Y203 HydrophobicContact CE3-CG 4.26Å; W179-Y203 HydrophobicContact CH2-CD1 4.16Å; W179-Y203 AromaticContact CZ3-CD1 3.58Å; W179-Y203 HydrophobicContact CZ3-CD1 3.58Å; W179-Y203 HydrophobicContact CZ3-CD2 4.41Å; W179-Y203 HydrophobicContact CZ3-CE1 4.29Å; W179-Y203 AromaticContact CZ3-CG 3.65Å; W179-Y203 HydrophobicContact CZ3-CG 3.65Å; F200-Y203 HydrophobicContact CB-CD2 4.33Å; F200-Y203 VanDerWaalsContact O-CB 3.3Å; F200-Y203 WeakPolarHBondContact O-CB 3.28Å; F200-Y203 PolarHBondContact O-N 3.48Å; Y203-G205 PolarHBondContact O-N 3.38Å; Y203-T206 WeakPolarHBondContact O-CB 3.23Å; Y203-T206 WeakPolarHBondContact O-CG2 3.12Å; Y203-T206 PolarHBondContact O-N 2.91Å; Y203-T206 VanDerWaalsContact O-N 3.09Å; Y203-T206 PolarHBondContact O-OG1 3.29Å | ||
| 204 | N | 94.7 | Very high | 96.5 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131.4 | -177 | -76.7 | 1.7 | 0 | 0 | 0 | 111.3 | N117 V118 A119 T206 | N117-N204 WeakPolarHBondContact O-CA 3.29Å; V118-N204 WeakPolarHBondContact CA-OD1 3.41Å; A119-N204 PolarHBondContact N-OD1 2.81Å; A119-N204 PolarHBondContact O-ND2 3.31Å; N204-T206 VanDerWaalsContact C-N 3.31Å |
| 205 | G | 91.9 | Very high | 96.7 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 71% | 0.711 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N117 Y203 | N117-G205 PolarHBondContact O-N 3.39Å; Y203-G205 PolarHBondContact O-N 3.38Å |
| 206 | T | 96.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 171.3 | 171.4 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | N117 P202 Y203 N204 | N117-T206 WeakPolarHBondContact CB-OG1 3.45Å; N117-T206 PolarHBondContact N-O 2.72Å; N117-T206 PolarHBondContact ND2-OG1 2.8Å; P202-T206 HydrophobicContact CB-CG2 3.84Å; P202-T206 HydrophobicContact CG-CG2 3.95Å; Y203-T206 WeakPolarHBondContact O-CB 3.23Å; Y203-T206 WeakPolarHBondContact O-CG2 3.12Å; Y203-T206 PolarHBondContact O-N 2.91Å; Y203-T206 VanDerWaalsContact O-N 3.09Å; Y203-T206 PolarHBondContact O-OG1 3.29Å; N204-T206 VanDerWaalsContact C-N 3.31Å |
| 207 | Y | 96.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 42% | 0.424 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 144.4 | 177.5 | -58.8 | -96.3 | 0 | 0 | 0 | 110.8 | E101 M114 L115 P116 | E101-Y207 HydrophobicContact CB-CE1 4.35Å; E101-Y207 HydrophobicContact CG-CE1 4.47Å; E101-Y207 VanDerWaalsContact OE2-CE1 3.31Å; E101-Y207 WeakPolarHBondContact OE2-CE1 3.47Å; E101-Y207 PolarHBondContact OE2-OH 2.8Å; M114-Y207 HydrophobicContact CB-CD1 4.04Å; M114-Y207 HydrophobicContact CB-CG 4.44Å; M114-Y207 VanDerWaalsContact CE-CB 3.45Å; M114-Y207 HydrophobicContact CE-CG 4.36Å; L115-Y207 CarbonylContact O-C 3.54Å; L115-Y207 VanDerWaalsContact O-CA 3.26Å; L115-Y207 WeakPolarHBondContact O-CA 3.24Å; P116-Y207 HydrophobicContact CB-CD1 3.96Å; P116-Y207 HydrophobicContact CB-CE1 3.79Å |
| 208 | D | 96.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.2 | 165.1 | -173.4 | 28.6 | 0 | 0 | 0 | 110.7 | L115 Y211 Y229 S268 | L115-D208 HydrophobicContact CB-CB 4.4Å; L115-D208 PolarHBondContact N-O 3.49Å; L115-D208 PolarHBondContact O-N 3.49Å; D208-Y211 HydrophobicContact CB-CE2 4.34Å; D208-Y211 WeakPolarHBondContact OD2-CE2 3.33Å; D208-Y211 PolarHBondContact OD2-OH 3.11Å; D208-Y229 WeakPolarHBondContact OD1-CE2 3.29Å; D208-Y229 PolarHBondContact OD1-OH 3.4Å; D208-S268 VanDerWaalsContact OD2-CB 3.26Å; D208-S268 WeakPolarHBondContact OD2-CB 3.41Å; D208-S268 PolarHBondContact OD2-OG 3.28Å |
| 209 | G | 94.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.1 | -169.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M114 K230 | M114-G209 VanDerWaalsContact SD-C 3.59Å; G209-K230 WeakPolarHBondContact O-CE 3.36Å; G209-K230 VanDerWaalsContact O-CG 3.31Å; G209-K230 WeakPolarHBondContact O-CG 3.37Å |
| 210 | L | 97.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -67.8 | 132.4 | 9.2 | -173.5 | 69.4 | 0 | 0 | 0 | 113.7 | M114 Y229 K230 | M114-L210 HydrophobicContact CG-CD1 4.23Å; M114-L210 WeakPolarHBondContact SD-CA 3.35Å; M114-L210 HydrophobicContact SD-CB 3.87Å; M114-L210 HydrophobicContact SD-CD1 3.92Å; M114-L210 PolarHBondContact SD-N 3.24Å; M114-L210 VanDerWaalsContact SD-N 3.39Å; L210-Y229 CarbonylContact O-C 3.39Å; L210-K230 PolarHBondContact O-N 3.11Å |
| 211 | Y | 98.4 | Very high | 96 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.9 | 167.3 | -73.4 | -91.7 | 0 | 0 | 0 | 109.6 | S112 Y113 D208 I226 Y229 F266 S268 | S112-Y211 CarbonylContact C-O 3.58Å; S112-Y211 WeakPolarHBondContact CA-O 3.28Å; Y113-Y211 HydrophobicContact CE1-CG 4.11Å; Y113-Y211 AromaticContact CE2-CD2 3.97Å; Y113-Y211 HydrophobicContact CE2-CD2 3.97Å; Y113-Y211 HydrophobicContact CE2-CG 4.16Å; Y113-Y211 AromaticContact CZ-CG 3.77Å; Y113-Y211 PolarHBondContact N-O 3.06Å; Y113-Y211 PolarHBondContact O-N 3.33Å; D208-Y211 HydrophobicContact CB-CE2 4.34Å; D208-Y211 WeakPolarHBondContact OD2-CE2 3.33Å; D208-Y211 PolarHBondContact OD2-OH 3.11Å; Y211-I226 HydrophobicContact CD1-CD1 4.17Å; Y211-I226 HydrophobicContact CD1-CG1 4.34Å; Y211-I226 HydrophobicContact CE1-CD1 4.12Å; Y211-Y229 AromaticContact CD1-CD2 3.93Å; Y211-Y229 HydrophobicContact CD1-CD2 3.93Å; Y211-Y229 HydrophobicContact CD2-CD2 4.31Å; Y211-Y229 HydrophobicContact CD2-CE2 4.41Å; Y211-Y229 AromaticContact CE1-CD2 3.58Å; Y211-Y229 HydrophobicContact CE1-CD2 3.58Å; Y211-Y229 HydrophobicContact CE1-CE2 4.02Å; Y211-Y229 AromaticContact CE2-CD2 3.98Å; Y211-Y229 HydrophobicContact CE2-CD2 3.98Å; Y211-Y229 AromaticContact CE2-CE2 3.75Å; Y211-Y229 HydrophobicContact CE2-CE2 3.75Å; Y211-Y229 HydrophobicContact CG-CD2 4.28Å; Y211-Y229 AromaticContact CZ-CD2 3.6Å; Y211-Y229 AromaticContact CZ-CE2 3.52Å; Y211-F266 HydrophobicContact CE1-CD1 4.06Å; Y211-F266 HydrophobicContact CE1-CE1 4.13Å; Y211-S268 PolarHBondContact OH-OG 3.46Å |
| 212 | R | 98.3 | Very high | 96 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.6 | 166.2 | -178.7 | -175.2 | -178.6 | 93.3 | -4.4 | 107.9 | N106 D108 T110 D227 T228 | N106-R212 PolarHBondContact ND2-NH1 2.84Å; N106-R212 PolarHBondContact OD1-NH1 3.24Å; D108-R212 IonicContact OD1-CZ 2.8Å; D108-R212 IonicContact OD1-NH2 2.88Å; D108-R212 PolarHBondContact OD1-NH2 3.5Å; D108-R212 IonicContact OD2-CZ 3.62Å; D108-R212 IonicContact OD2-NE 3.64Å; D108-R212 IonicContact OD2-NH2 2.66Å; D108-R212 PolarHBondContact OD2-NH2 2.87Å; T110-R212 HydrophobicContact CG2-CG 4.38Å; T110-R212 PolarHBondContact OG1-NE 2.98Å; T110-R212 VanDerWaalsContact OG1-NE 3.13Å; T110-R212 PolarHBondContact OG1-NH2 3.26Å; T110-R212 VanDerWaalsContact OG1-NH2 3.08Å; R212-D227 VanDerWaalsContact CD-OD2 3.31Å; R212-D227 WeakPolarHBondContact CD-OD2 3.2Å; R212-D227 HydrophobicContact CG-CB 4.31Å; R212-D227 IonicContact NE-OD2 3.6Å; R212-D227 PolarHBondContact NE-OD2 2.84Å; R212-D227 PolarHBondContact O-N 3.02Å; R212-T228 WeakPolarHBondContact CB-OG1 3.39Å; R212-T228 PolarHBondContact N-O 2.68Å; R212-T228 PolarHBondContact O-N 3.39Å |
| 213 | V | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.9 | -176.3 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | I44 T110 I111 Y113 I225 I226 | I44-V213 HydrophobicContact CD1-CG2 4.4Å; T110-V213 CarbonylContact C-O 3.34Å; T110-V213 WeakPolarHBondContact CA-O 3.35Å; T110-V213 WeakPolarHBondContact CB-O 3.43Å; I111-V213 HydrophobicContact CG2-CG2 3.51Å; I111-V213 PolarHBondContact N-O 2.95Å; I111-V213 PolarHBondContact O-N 3.49Å; Y113-V213 HydrophobicContact CE1-CG1 3.98Å; Y113-V213 HydrophobicContact CE1-CG2 4.28Å; V213-I225 CarbonylContact C-O 3.35Å; V213-I225 VanDerWaalsContact CA-O 3.25Å; V213-I225 WeakPolarHBondContact CA-O 3.32Å; V213-I226 HydrophobicContact CG1-CB 4.45Å; V213-I226 HydrophobicContact CG1-CG1 3.87Å |
| 214 | F | 98.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.9 | 172.9 | -65.1 | -78.4 | 0 | 0 | 0 | 110.6 | T110 K222 A224 I225 D227 | T110-F214 HydrophobicContact CG2-CD1 3.64Å; T110-F214 HydrophobicContact CG2-CE1 3.82Å; T110-F214 HydrophobicContact CG2-CG 4.32Å; F214-K222 HydrophobicContact CB-CB 3.93Å; F214-K222 WeakPolarHBondContact CB-O 3.35Å; F214-K222 HydrophobicContact CD2-CB 4.24Å; F214-K222 HydrophobicContact CG-CB 4.06Å; F214-A224 PolarHBondContact O-N 3.31Å; F214-I225 HydrophobicContact CD2-CB 4.22Å; F214-I225 HydrophobicContact CD2-CG2 4.44Å; F214-I225 WeakPolarHBondContact CD2-O 3.32Å; F214-I225 PolarHBondContact N-O 3.28Å; F214-D227 HydrophobicContact CD2-CB 4.26Å; F214-D227 HydrophobicContact CE2-CB 3.66Å; F214-D227 HydrophobicContact CZ-CB 3.8Å |
| 215 | T | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | trans | -76.8 | -24.1 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | V43 I44 G109 I111 K217 | V43-T215 WeakPolarHBondContact CA-O 3.28Å; I44-T215 PolarHBondContact N-O 2.77Å; I44-T215 WeakPolarHBondContact O-CB 3.29Å; I44-T215 WeakPolarHBondContact O-CG2 3.27Å; G109-T215 WeakPolarHBondContact O-CB 3.42Å; G109-T215 WeakPolarHBondContact O-CG2 3.14Å; G109-T215 PolarHBondContact O-N 3.39Å; G109-T215 PolarHBondContact O-OG1 2.67Å; I111-T215 HydrophobicContact CB-CG2 3.79Å; I111-T215 HydrophobicContact CG2-CG2 3.81Å; T215-K217 WeakPolarHBondContact OG1-CG 3.31Å; T215-K217 PolarHBondContact OG1-N 3.44Å | ||
| 216 | G | 96.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 87.6 | -1.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E218 D219 I220 T223 | G216-E218 VanDerWaalsContact C-N 3.33Å; G216-E218 PolarHBondContact O-N 2.94Å; G216-D219 WeakPolarHBondContact CA-O 3.23Å; G216-D219 CarbonylContact O-C 3.57Å; G216-I220 PolarHBondContact O-N 3.05Å; G216-T223 WeakPolarHBondContact CA-OG1 3.33Å |
| 217 | K | 93.2 | Very high | 96.6 | Very high | 101 Ų | 101 | 42.3 Ų | 42.3 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -58.2 | -43.3 | 179.5 | -76.7 | 178.7 | -178 | 174.3 | 0 | 112.3 | V43 S45 E105 T215 | V43-K217 HydrophobicContact CG1-CB 4.34Å; V43-K217 HydrophobicContact CG1-CG 3.44Å; V43-K217 VanDerWaalsContact CG1-CG 3.44Å; S45-K217 VanDerWaalsContact OG-CE 3.28Å; S45-K217 WeakPolarHBondContact OG-CE 3.38Å; S45-K217 PolarHBondContact OG-NZ 3.49Å; E105-K217 IonicContact OE2-NZ 3.89Å; E105-K217 PolarHBondContact OE2-NZ 2.93Å; T215-K217 WeakPolarHBondContact OG1-CG 3.31Å; T215-K217 PolarHBondContact OG1-N 3.44Å |
| 218 | E | 92.2 | Very high | 96.7 | Very high | 152 Ų | 152 | 38 Ų | 38 | 71% | 0.71 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -86.5 | -43.7 | -179.9 | -61.9 | -178.3 | 178.4 | 0 | 0 | 112.3 | G216 | G216-E218 VanDerWaalsContact C-N 3.33Å; G216-E218 PolarHBondContact O-N 2.94Å |
| 219 | D | 94.8 | Very high | 96.8 | Very high | 62 Ų | 62 | 37.9 Ų | 37.9 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | trans | -142.7 | 106.4 | -177.9 | -179.8 | 0.2 | 0 | 0 | 0 | 109.7 | G216 S221 K222 | G216-D219 WeakPolarHBondContact CA-O 3.23Å; G216-D219 CarbonylContact O-C 3.57Å; D219-S221 PolarHBondContact O-N 2.03Å; D219-S221 VanDerWaalsContact OD1-CB 3.28Å; D219-S221 WeakPolarHBondContact OD1-CB 3.49Å; D219-S221 PolarHBondContact OD1-N 3.11Å; D219-S221 PolarHBondContact OD1-OG 2.58Å; D219-S221 PolarHBondContact OD2-OG 2.79Å; D219-S221 VanDerWaalsContact OD2-OG 3.04Å; D219-K222 HydrophobicContact CB-CD 4.32Å; D219-K222 HydrophobicContact CB-CG 4.39Å; D219-K222 PolarHBondContact O-N 3.24Å; D219-K222 WeakPolarHBondContact OD2-CE 3.33Å | ||
| 220 | I | 95.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.138 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -64.3 | -21.1 | -178.5 | -161.9 | 70.1 | 0 | 0 | 0 | 112.9 | K39 T42 V43 G216 K222 T223 P255 | K39-I220 HydrophobicContact CB-CG1 4.41Å; K39-I220 HydrophobicContact CD-CG2 4.15Å; K39-I220 HydrophobicContact CG-CB 4.44Å; K39-I220 HydrophobicContact CG-CG1 4.24Å; K39-I220 HydrophobicContact CG-CG2 3.97Å; K39-I220 WeakPolarHBondContact O-CD1 3.25Å; T42-I220 WeakPolarHBondContact OG1-CD1 3.03Å; V43-I220 HydrophobicContact CG2-CD1 3.76Å; G216-I220 PolarHBondContact O-N 3.05Å; I220-K222 PolarHBondContact O-N 3.05Å; I220-T223 WeakPolarHBondContact CD1-OG1 3.46Å; I220-T223 PolarHBondContact O-N 3.38Å; I220-T223 PolarHBondContact O-OG1 3.12Å; I220-P255 HydrophobicContact CD1-CG 4.46Å; I220-P255 HydrophobicContact CG1-CG 3.55Å |
| 221 | S | 95.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -69 | -12.2 | 175.4 | 76.1 | 0 | 0 | 0 | 0 | 112.7 | D219 P254 | D219-S221 PolarHBondContact O-N 2.03Å; D219-S221 VanDerWaalsContact OD1-CB 3.28Å; D219-S221 WeakPolarHBondContact OD1-CB 3.49Å; D219-S221 PolarHBondContact OD1-N 3.11Å; D219-S221 PolarHBondContact OD1-OG 2.58Å; D219-S221 PolarHBondContact OD2-OG 2.79Å; D219-S221 VanDerWaalsContact OD2-OG 3.04Å; S221-P254 WeakPolarHBondContact O-CB 3.43Å; S221-P254 WeakPolarHBondContact O-CG 3.41Å |
| 222 | K | 96.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -103.3 | -6 | 177.9 | -63.2 | -178.1 | -176.7 | 174 | 0 | 114.2 | F214 D219 I220 A224 I225 | F214-K222 HydrophobicContact CB-CB 3.93Å; F214-K222 WeakPolarHBondContact CB-O 3.35Å; F214-K222 HydrophobicContact CD2-CB 4.24Å; F214-K222 HydrophobicContact CG-CB 4.06Å; D219-K222 HydrophobicContact CB-CD 4.32Å; D219-K222 HydrophobicContact CB-CG 4.39Å; D219-K222 PolarHBondContact O-N 3.24Å; D219-K222 WeakPolarHBondContact OD2-CE 3.33Å; I220-K222 PolarHBondContact O-N 3.05Å; K222-A224 PolarHBondContact O-N 3.41Å; K222-I225 VanDerWaalsContact O-CB 3.24Å; K222-I225 WeakPolarHBondContact O-CB 3.05Å; K222-I225 WeakPolarHBondContact O-CG1 3.3Å; K222-I225 PolarHBondContact O-N 2.82Å |
| 223 | T | 96.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 132.6 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 112 | T42 I44 G216 I220 I225 | T42-T223 VanDerWaalsContact O-CG2 3.31Å; T42-T223 WeakPolarHBondContact O-CG2 3.35Å; I44-T223 HydrophobicContact CD1-CG2 4.27Å; I44-T223 HydrophobicContact CG1-CG2 4.1Å; G216-T223 WeakPolarHBondContact CA-OG1 3.33Å; I220-T223 WeakPolarHBondContact CD1-OG1 3.46Å; I220-T223 PolarHBondContact O-N 3.38Å; I220-T223 PolarHBondContact O-OG1 3.12Å; T223-I225 PolarHBondContact O-N 2.94Å |
| 224 | A | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | I44 F214 K222 I226 T248 S252 | I44-A224 HydrophobicContact CD1-CB 4.01Å; F214-A224 PolarHBondContact O-N 3.31Å; K222-A224 PolarHBondContact O-N 3.41Å; A224-I226 PolarHBondContact O-N 3.14Å; A224-T248 HydrophobicContact CB-CG2 4.04Å; A224-T248 WeakPolarHBondContact O-CA 3.32Å; A224-T248 WeakPolarHBondContact O-CB 3.42Å; A224-S252 WeakPolarHBondContact CB-OG 3.32Å |
| 225 | I | 98.3 | Very high | 96.5 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | trans | -64.4 | 133.8 | 173.7 | -61 | -176.4 | 0 | 0 | 0 | 108.7 | V213 F214 K222 T223 D227 G247 T248 P254 | V213-I225 CarbonylContact C-O 3.35Å; V213-I225 VanDerWaalsContact CA-O 3.25Å; V213-I225 WeakPolarHBondContact CA-O 3.32Å; F214-I225 HydrophobicContact CD2-CB 4.22Å; F214-I225 HydrophobicContact CD2-CG2 4.44Å; F214-I225 WeakPolarHBondContact CD2-O 3.32Å; F214-I225 PolarHBondContact N-O 3.28Å; K222-I225 VanDerWaalsContact O-CB 3.24Å; K222-I225 WeakPolarHBondContact O-CB 3.05Å; K222-I225 WeakPolarHBondContact O-CG1 3.3Å; K222-I225 PolarHBondContact O-N 2.82Å; T223-I225 PolarHBondContact O-N 2.94Å; I225-D227 PolarHBondContact O-N 3.16Å; I225-G247 WeakPolarHBondContact CA-O 2.96Å; I225-T248 HydrophobicContact CG1-CG2 4.07Å; I225-P254 HydrophobicContact CD1-CG 4.19Å; I225-P254 HydrophobicContact CG1-CG 4.27Å | ||
| 226 | I | 98.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.8 | 178.6 | -60.4 | 161 | 0 | 0 | 0 | 108.4 | Y211 V213 A224 T228 V245 G247 F266 | Y211-I226 HydrophobicContact CD1-CD1 4.17Å; Y211-I226 HydrophobicContact CD1-CG1 4.34Å; Y211-I226 HydrophobicContact CE1-CD1 4.12Å; V213-I226 HydrophobicContact CG1-CB 4.45Å; V213-I226 HydrophobicContact CG1-CG1 3.87Å; A224-I226 PolarHBondContact O-N 3.14Å; I226-T228 WeakPolarHBondContact CG2-O 3.16Å; I226-V245 HydrophobicContact CB-CG1 4.07Å; I226-V245 HydrophobicContact CD1-CG1 4.36Å; I226-V245 HydrophobicContact CG2-CG1 3.62Å; I226-G247 PolarHBondContact N-O 2.83Å; I226-F266 HydrophobicContact CD1-CB 3.76Å; I226-F266 HydrophobicContact CD1-CD1 3.97Å; I226-F266 HydrophobicContact CD1-CG 4.34Å |
| 227 | D | 97.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -49.7 | 169.6 | 176.6 | 41.5 | 0 | 0 | 0 | 109.9 | R212 F214 I225 R233 | R212-D227 VanDerWaalsContact CD-OD2 3.31Å; R212-D227 WeakPolarHBondContact CD-OD2 3.2Å; R212-D227 HydrophobicContact CG-CB 4.31Å; R212-D227 IonicContact NE-OD2 3.6Å; R212-D227 PolarHBondContact NE-OD2 2.84Å; R212-D227 PolarHBondContact O-N 3.02Å; F214-D227 HydrophobicContact CD2-CB 4.26Å; F214-D227 HydrophobicContact CE2-CB 3.66Å; F214-D227 HydrophobicContact CZ-CB 3.8Å; I225-D227 PolarHBondContact O-N 3.16Å; D227-R233 WeakPolarHBondContact O-CG 3.22Å; D227-R233 IonicContact OD1-CZ 3.26Å; D227-R233 VanDerWaalsContact OD1-CZ 3.26Å; D227-R233 IonicContact OD1-NE 3.65Å; D227-R233 PolarHBondContact OD1-NE 2.84Å; D227-R233 VanDerWaalsContact OD1-NE 3.07Å; D227-R233 IonicContact OD1-NH2 2.7Å; D227-R233 PolarHBondContact OD1-NH2 2.88Å |
| 228 | T | 98.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.1 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | R212 I226 K232 R233 | R212-T228 WeakPolarHBondContact CB-OG1 3.39Å; R212-T228 PolarHBondContact N-O 2.68Å; R212-T228 PolarHBondContact O-N 3.39Å; I226-T228 WeakPolarHBondContact CG2-O 3.16Å; T228-K232 CarbonylContact C-O 3.49Å; T228-K232 VanDerWaalsContact CA-O 3.31Å; T228-K232 WeakPolarHBondContact CA-O 3.39Å; T228-K232 WeakPolarHBondContact CB-O 3.03Å; T228-R233 HydrophobicContact CG2-CG 3.91Å |
| 229 | Y | 98.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.1 | 166.5 | 174.4 | -107.3 | 0 | 0 | 0 | 108.2 | D208 L210 Y211 N231 K232 L235 F266 | D208-Y229 WeakPolarHBondContact OD1-CE2 3.29Å; D208-Y229 PolarHBondContact OD1-OH 3.4Å; L210-Y229 CarbonylContact O-C 3.39Å; Y211-Y229 AromaticContact CD1-CD2 3.93Å; Y211-Y229 HydrophobicContact CD1-CD2 3.93Å; Y211-Y229 HydrophobicContact CD2-CD2 4.31Å; Y211-Y229 HydrophobicContact CD2-CE2 4.41Å; Y211-Y229 AromaticContact CE1-CD2 3.58Å; Y211-Y229 HydrophobicContact CE1-CD2 3.58Å; Y211-Y229 HydrophobicContact CE1-CE2 4.02Å; Y211-Y229 AromaticContact CE2-CD2 3.98Å; Y211-Y229 HydrophobicContact CE2-CD2 3.98Å; Y211-Y229 AromaticContact CE2-CE2 3.75Å; Y211-Y229 HydrophobicContact CE2-CE2 3.75Å; Y211-Y229 HydrophobicContact CG-CD2 4.28Å; Y211-Y229 AromaticContact CZ-CD2 3.6Å; Y211-Y229 AromaticContact CZ-CE2 3.52Å; Y229-N231 PolarHBondContact O-N 3.45Å; Y229-K232 PolarHBondContact N-O 2.82Å; Y229-K232 PolarHBondContact O-N 2.96Å; Y229-K232 VanDerWaalsContact O-O 3.07Å; Y229-L235 HydrophobicContact CD1-CD2 3.92Å; Y229-L235 HydrophobicContact CE1-CD2 4.42Å; Y229-F266 AromaticContact CD1-CE1 3.94Å; Y229-F266 HydrophobicContact CD1-CE1 3.94Å; Y229-F266 AromaticContact CD1-CZ 3.89Å; Y229-F266 HydrophobicContact CD1-CZ 3.89Å; Y229-F266 AromaticContact CD2-CE1 3.83Å; Y229-F266 HydrophobicContact CD2-CE1 3.83Å; Y229-F266 HydrophobicContact CE1-CE1 4.19Å; Y229-F266 AromaticContact CE1-CZ 4Å; Y229-F266 HydrophobicContact CE1-CZ 4Å; Y229-F266 HydrophobicContact CE2-CE1 4.08Å; Y229-F266 AromaticContact CG-CE1 3.75Å; Y229-F266 HydrophobicContact CG-CE1 3.75Å; Y229-F266 HydrophobicContact CG-CZ 4.18Å |
| 230 | K | 97.1 | Very high | 96.7 | Very high | 106 Ų | 106 | 59.3 Ų | 59.3 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.1 | -173.5 | -66.2 | 177.5 | 174 | 167.9 | 0 | 112.4 | G209 L210 K232 | G209-K230 WeakPolarHBondContact O-CE 3.36Å; G209-K230 VanDerWaalsContact O-CG 3.31Å; G209-K230 WeakPolarHBondContact O-CG 3.37Å; L210-K230 PolarHBondContact O-N 3.11Å; K230-K232 PolarHBondContact O-N 2.82Å |
| 231 | N | 97.1 | Very high | 96.7 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 66% | 0.663 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 17.7 | -178.8 | -54.6 | -43 | 0 | 0 | 0 | 115 | Y229 | Y229-N231 PolarHBondContact O-N 3.45Š|
| 232 | K | 97 | Very high | 96.8 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -126 | 148.6 | 176.1 | -63.8 | -178.3 | 173.2 | -176.5 | 0 | 111.1 | T228 Y229 K230 N234 S236 | T228-K232 CarbonylContact C-O 3.49Å; T228-K232 VanDerWaalsContact CA-O 3.31Å; T228-K232 WeakPolarHBondContact CA-O 3.39Å; T228-K232 WeakPolarHBondContact CB-O 3.03Å; Y229-K232 PolarHBondContact N-O 2.82Å; Y229-K232 PolarHBondContact O-N 2.96Å; Y229-K232 VanDerWaalsContact O-O 3.07Å; K230-K232 PolarHBondContact O-N 2.82Å; K232-N234 VanDerWaalsContact C-N 3.35Å; K232-N234 WeakPolarHBondContact CB-O 3.17Å; K232-S236 PolarHBondContact NZ-OG 3.19Å |
| 233 | R | 96.8 | Very high | 96.8 | Very high | 156 Ų | 156 | 55 Ų | 55 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -84.5 | -15.3 | 169.2 | -62.2 | -157.3 | 167.3 | 155 | 0.4 | 113 | D227 T228 V245 | D227-R233 WeakPolarHBondContact O-CG 3.22Å; D227-R233 IonicContact OD1-CZ 3.26Å; D227-R233 VanDerWaalsContact OD1-CZ 3.26Å; D227-R233 IonicContact OD1-NE 3.65Å; D227-R233 PolarHBondContact OD1-NE 2.84Å; D227-R233 VanDerWaalsContact OD1-NE 3.07Å; D227-R233 IonicContact OD1-NH2 2.7Å; D227-R233 PolarHBondContact OD1-NH2 2.88Å; T228-R233 HydrophobicContact CG2-CG 3.91Å; R233-V245 WeakPolarHBondContact O-CB 3.29Å; R233-V245 PolarHBondContact O-N 3.11Å |
| 234 | N | 97.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 147.4 | -178.5 | -65.4 | 33.5 | 0 | 0 | 0 | 109.7 | K232 D243 L244 | K232-N234 VanDerWaalsContact C-N 3.35Å; K232-N234 WeakPolarHBondContact CB-O 3.17Å; N234-D243 CarbonylContact C-O 3.48Å; N234-D243 WeakPolarHBondContact CA-O 3.48Å; N234-D243 HydrophobicContact CB-CB 4.49Å; N234-D243 WeakPolarHBondContact CB-OD2 3.47Å; N234-L244 WeakPolarHBondContact OD1-CD2 2.99Å |
| 235 | L | 95.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | trans | -79.9 | -21.4 | -171.7 | -63.2 | 168.7 | 0 | 0 | 0 | 113.6 | Y229 Y237 D243 V245 F266 C271 | Y229-L235 HydrophobicContact CD1-CD2 3.92Å; Y229-L235 HydrophobicContact CE1-CD2 4.42Å; L235-Y237 HydrophobicContact CB-CD2 3.57Å; L235-Y237 HydrophobicContact CB-CE2 4.04Å; L235-Y237 HydrophobicContact CB-CG 4.14Å; L235-Y237 HydrophobicContact CD1-CD2 4.41Å; L235-Y237 HydrophobicContact CG-CD2 4.43Å; L235-D243 WeakPolarHBondContact CB-OD1 3.08Å; L235-D243 PolarHBondContact N-O 2.85Å; L235-D243 PolarHBondContact N-OD1 3.35Å; L235-D243 PolarHBondContact N-OD2 3.18Å; L235-V245 HydrophobicContact CD2-CG2 3.6Å; L235-V245 HydrophobicContact CG-CG2 3.8Å; L235-F266 HydrophobicContact CD1-CD2 4.46Å; L235-F266 HydrophobicContact CD1-CE2 3.81Å; L235-F266 HydrophobicContact CD2-CE2 3.59Å; L235-F266 HydrophobicContact CD2-CZ 3.69Å; L235-F266 HydrophobicContact CG-CE2 4.3Å; L235-C271 VanDerWaalsContact CD1-O 3.29Å; L235-C271 WeakPolarHBondContact CD1-O 3.5Å | ||
| 236 | S | 95.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 62.2 | 29.8 | -170.2 | -41.4 | 0 | 0 | 0 | 0 | 113 | K232 D243 | K232-S236 PolarHBondContact NZ-OG 3.19Å; S236-D243 WeakPolarHBondContact CA-OD2 3.48Å; S236-D243 VanDerWaalsContact N-CG 3.28Å; S236-D243 PolarHBondContact N-OD1 3Å; S236-D243 PolarHBondContact N-OD2 2Å |
| 237 | Y | 95.3 | Very high | 96.7 | Very high | 77 Ų | 77 | 59 Ų | 59 | 30% | 0.302 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -115.1 | -30.4 | 178.2 | -59.2 | -37 | 0 | 0 | 0 | 113.1 | L235 D243 C271 A331 C332 | L235-Y237 HydrophobicContact CB-CD2 3.57Å; L235-Y237 HydrophobicContact CB-CE2 4.04Å; L235-Y237 HydrophobicContact CB-CG 4.14Å; L235-Y237 HydrophobicContact CD1-CD2 4.41Å; L235-Y237 HydrophobicContact CG-CD2 4.43Å; Y237-D243 PolarHBondContact N-OD1 3.28Å; Y237-C271 HydrophobicContact CD2-CB 4.06Å; Y237-C271 HydrophobicContact CE2-CB 4.24Å; Y237-A331 HydrophobicContact CD1-CB 4.17Å; Y237-A331 HydrophobicContact CG-CB 4.38Å; Y237-C332 HydrophobicContact CD1-CB 4.21Å; Y237-C332 HydrophobicContact CD2-CB 3.79Å; Y237-C332 HydrophobicContact CE1-CB 3.88Å; Y237-C332 HydrophobicContact CE2-CB 3.45Å; Y237-C332 VanDerWaalsContact CE2-CB 3.45Å; Y237-C332 HydrophobicContact CG-CB 4.18Å |
| 238 | W | 96.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -121.1 | 165.4 | -174 | -47.6 | 103.4 | 0 | 0 | 0 | 111.2 | C242 D243 C271 F311 T313 L327 D328 | W238-C242 HydrophobicContact CB-CB 3.63Å; W238-C242 HydrophobicContact CG-CB 4.18Å; W238-D243 HydrophobicContact CB-CB 4.06Å; W238-D243 PolarHBondContact N-OD1 2.77Å; W238-D243 VanDerWaalsContact O-CB 3.3Å; W238-D243 WeakPolarHBondContact O-CB 3.3Å; W238-D243 VanDerWaalsContact O-CG 3.27Å; W238-C271 PolarHBondContact NE1-O 2.88Å; W238-F311 AromaticContact CD2-CD1 3.56Å; W238-F311 HydrophobicContact CD2-CD1 3.56Å; W238-F311 AromaticContact CD2-CE1 3.81Å; W238-F311 HydrophobicContact CD2-CE1 3.81Å; W238-F311 AromaticContact CE2-CD1 3.76Å; W238-F311 AromaticContact CE2-CE1 3.83Å; W238-F311 AromaticContact CE3-CD1 3.61Å; W238-F311 HydrophobicContact CE3-CD1 3.61Å; W238-F311 HydrophobicContact CE3-CE1 4.33Å; W238-F311 HydrophobicContact CG-CD1 4.11Å; W238-F311 AromaticContact CG-CE1 3.93Å; W238-F311 HydrophobicContact CG-CE1 3.93Å; W238-F311 AromaticContact CH2-CD1 3.98Å; W238-F311 HydrophobicContact CH2-CD1 3.98Å; W238-F311 AromaticContact CZ2-CD1 3.98Å; W238-F311 HydrophobicContact CZ2-CD1 3.98Å; W238-F311 HydrophobicContact CZ2-CE1 4.34Å; W238-F311 HydrophobicContact CZ3-CB 4.3Å; W238-F311 AromaticContact CZ3-CD1 3.82Å; W238-F311 HydrophobicContact CZ3-CD1 3.82Å; W238-F311 AromaticContact NE1-CE1 3.99Å; W238-T313 HydrophobicContact CE3-CG2 4.41Å; W238-T313 HydrophobicContact CZ3-CG2 3.84Å; W238-L327 HydrophobicContact CH2-CD1 3.57Å; W238-L327 HydrophobicContact CH2-CD2 4.47Å; W238-L327 HydrophobicContact CH2-CG 3.99Å; W238-L327 HydrophobicContact CZ2-CD1 4.15Å; W238-L327 HydrophobicContact CZ2-CD2 4.39Å; W238-L327 HydrophobicContact CZ2-CG 4.39Å; W238-L327 HydrophobicContact CZ3-CD1 4.25Å; W238-D328 WeakPolarHBondContact CH2-O 3.36Å |
| 239 | E | 94.3 | Very high | 96.6 | Very high | 145 Ų | 145 | 59.6 Ų | 59.6 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -89.8 | 158.6 | 172.5 | -63.4 | -173.7 | 171.4 | 0 | 0 | 111.5 | C242 C310 | E239-C242 WeakPolarHBondContact O-CB 3.49Å; E239-C242 PolarHBondContact O-N 2.81Å; E239-C310 HydrophobicContact CB-CB 4.14Å; E239-C310 WeakPolarHBondContact O-CB 3.43Å; E239-C310 PolarHBondContact O-SG 3.43Å; E239-C310 VanDerWaalsContact O-SG 3.4Å |
| 240 | G | 94.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | 56.7 | -137.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | C242 | G240-C242 VanDerWaalsContact C-N 3.29Å; G240-C242 PolarHBondContact O-N 2.99Å |
| 241 | H | 95.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 38% | 0.375 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -75.3 | -16.4 | -177.2 | 63.4 | -86 | 0 | 0 | 0 | 113.7 | D243 L244 D307 Y309 C310 | H241-D243 PolarHBondContact O-N 3.2Å; H241-L244 HydrophobicContact CB-CD1 4.22Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 WeakPolarHBondContact O-CG 3.42Å; H241-L244 PolarHBondContact O-N 3.15Å; H241-D307 PolarHBondContact CE1-O 2.87Å; H241-D307 VanDerWaalsContact CE1-O 3.32Å; H241-D307 PolarHBondContact NE2-O 3.12Å; H241-Y309 AromaticContact CE1-CE1 3.65Å; H241-C310 VanDerWaalsContact CE1-SG 3.52Å |
| 242 | C | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.6 | -23.8 | 178.1 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | W238 E239 G240 L244 C310 F311 | W238-C242 HydrophobicContact CB-CB 3.63Å; W238-C242 HydrophobicContact CG-CB 4.18Å; E239-C242 WeakPolarHBondContact O-CB 3.49Å; E239-C242 PolarHBondContact O-N 2.81Å; G240-C242 VanDerWaalsContact C-N 3.29Å; G240-C242 PolarHBondContact O-N 2.99Å; C242-L244 VanDerWaalsContact C-N 3.33Å; C242-C310 HydrophobicContact CB-CB 3.66Å; C242-C310 WeakPolarHBondContact CB-SG 3.31Å; C242-C310 VanDerWaalsContact SG-C 3.54Å; C242-C310 VanDerWaalsContact SG-CA 3.6Å; C242-C310 WeakPolarHBondContact SG-CB 3.46Å; C242-C310 CovalentContact SG-SG 2.02Å; C242-C310 PolarHBondContact SG-SG 2.82Å; C242-F311 HydrophobicContact CB-CD1 3.98Å; C242-F311 HydrophobicContact CB-CD2 4.26Å; C242-F311 HydrophobicContact CB-CE1 3.49Å; C242-F311 VanDerWaalsContact CB-CE1 3.49Å; C242-F311 HydrophobicContact CB-CE2 3.78Å; C242-F311 HydrophobicContact CB-CG 4.33Å; C242-F311 HydrophobicContact CB-CZ 3.37Å; C242-F311 WeakPolarHBondContact SG-CD2 3.5Å; C242-F311 WeakPolarHBondContact SG-CE2 3.45Å; C242-F311 VanDerWaalsContact SG-CZ 3.52Å |
| 243 | D | 97.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -83.3 | -9 | -176.2 | -152.4 | 41.4 | 0 | 0 | 0 | 113.8 | N234 L235 S236 Y237 W238 H241 | N234-D243 CarbonylContact C-O 3.48Å; N234-D243 WeakPolarHBondContact CA-O 3.48Å; N234-D243 HydrophobicContact CB-CB 4.49Å; N234-D243 WeakPolarHBondContact CB-OD2 3.47Å; L235-D243 WeakPolarHBondContact CB-OD1 3.08Å; L235-D243 PolarHBondContact N-O 2.85Å; L235-D243 PolarHBondContact N-OD1 3.35Å; L235-D243 PolarHBondContact N-OD2 3.18Å; S236-D243 WeakPolarHBondContact CA-OD2 3.48Å; S236-D243 VanDerWaalsContact N-CG 3.28Å; S236-D243 PolarHBondContact N-OD1 3Å; S236-D243 PolarHBondContact N-OD2 2Å; Y237-D243 PolarHBondContact N-OD1 3.28Å; W238-D243 HydrophobicContact CB-CB 4.06Å; W238-D243 PolarHBondContact N-OD1 2.77Å; W238-D243 VanDerWaalsContact O-CB 3.3Å; W238-D243 WeakPolarHBondContact O-CB 3.3Å; W238-D243 VanDerWaalsContact O-CG 3.27Å; H241-D243 PolarHBondContact O-N 3.2Å |
| 244 | L | 97.7 | Very high | 96.3 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -72.3 | 134.1 | -175.4 | -63.8 | 174.7 | 0 | 0 | 0 | 112 | N234 H241 C242 N246 S273 | N234-L244 WeakPolarHBondContact OD1-CD2 2.99Å; H241-L244 HydrophobicContact CB-CD1 4.22Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 WeakPolarHBondContact O-CG 3.42Å; H241-L244 PolarHBondContact O-N 3.15Å; C242-L244 VanDerWaalsContact C-N 3.33Å; L244-N246 WeakPolarHBondContact CB-ND2 3.42Å; L244-N246 PolarHBondContact O-N 3.44Å; L244-S273 PolarHBondContact O-OG 3.22Å |
| 245 | V | 97.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | trans | -82.7 | 94 | 167.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | I226 R233 L235 F266 | I226-V245 HydrophobicContact CB-CG1 4.07Å; I226-V245 HydrophobicContact CD1-CG1 4.36Å; I226-V245 HydrophobicContact CG2-CG1 3.62Å; R233-V245 WeakPolarHBondContact O-CB 3.29Å; R233-V245 PolarHBondContact O-N 3.11Å; L235-V245 HydrophobicContact CD2-CG2 3.6Å; L235-V245 HydrophobicContact CG-CG2 3.8Å; V245-F266 HydrophobicContact CG1-CB 4Å; V245-F266 HydrophobicContact CG1-CD1 4.12Å; V245-F266 HydrophobicContact CG1-CD2 4.32Å; V245-F266 HydrophobicContact CG1-CG 3.88Å | ||
| 246 | N | 97.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | trans | -104.4 | 140 | -178.7 | -71.8 | -43.1 | 0 | 0 | 0 | 112.4 | L244 R264 F265 F266 S273 | L244-N246 WeakPolarHBondContact CB-ND2 3.42Å; L244-N246 PolarHBondContact O-N 3.44Å; N246-R264 HydrophobicContact CB-CB 4.33Å; N246-F265 CarbonylContact O-C 3.39Å; N246-F266 PolarHBondContact O-N 3.28Å; N246-S273 PolarHBondContact N-OG 3.33Å; N246-S273 PolarHBondContact O-OG 3.3Å; N246-S273 VanDerWaalsContact O-OG 3.07Å | ||
| 247 | G | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 85.4 | -157.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I225 I226 R264 | I225-G247 WeakPolarHBondContact CA-O 2.96Å; I226-G247 PolarHBondContact N-O 2.83Å; G247-R264 WeakPolarHBondContact CA-O 3.31Å |
| 248 | T | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | -169.3 | -179.9 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | A224 I225 G250 S252 F253 R264 F265 F266 | A224-T248 HydrophobicContact CB-CG2 4.04Å; A224-T248 WeakPolarHBondContact O-CA 3.32Å; A224-T248 WeakPolarHBondContact O-CB 3.42Å; I225-T248 HydrophobicContact CG1-CG2 4.07Å; T248-G250 VanDerWaalsContact C-N 3.29Å; T248-G250 PolarHBondContact OG1-N 3.18Å; T248-G250 VanDerWaalsContact OG1-N 3.13Å; T248-S252 WeakPolarHBondContact CB-O 3.27Å; T248-S252 WeakPolarHBondContact CG2-O 3.26Å; T248-S252 PolarHBondContact OG1-O 3.44Å; T248-F253 HydrophobicContact CG2-CD1 4.22Å; T248-R264 PolarHBondContact N-O 2.6Å; T248-F265 CarbonylContact O-C 3.54Å; T248-F265 VanDerWaalsContact O-CA 3.23Å; T248-F265 WeakPolarHBondContact O-CA 3.37Å; T248-F265 WeakPolarHBondContact O-CB 3.4Å; T248-F266 PolarHBondContact O-N 3.43Å |
| 249 | D | 95.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | trans | -85.8 | 2 | 170.2 | 65.4 | 1 | 0 | 0 | 0 | 113.4 | K100 Y113 A251 | K100-D249 IonicContact NZ-OD2 3.55Å; Y113-D249 PolarHBondContact OH-OD2 3.38Å; D249-A251 VanDerWaalsContact C-N 3.33Å; D249-A251 VanDerWaalsContact OD1-CB 3.29Å; D249-A251 WeakPolarHBondContact OD1-CB 3.42Å; D249-A251 PolarHBondContact OD1-N 2.83Å | ||
| 250 | G | 94.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 84.6 | -8.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T248 T379 | T248-G250 VanDerWaalsContact C-N 3.29Å; T248-G250 PolarHBondContact OG1-N 3.18Å; T248-G250 VanDerWaalsContact OG1-N 3.13Å; G250-T379 PolarHBondContact O-OG1 2.95Å |
| 251 | A | 94.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -77.1 | -31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D249 T379 | D249-A251 VanDerWaalsContact C-N 3.33Å; D249-A251 VanDerWaalsContact OD1-CB 3.29Å; D249-A251 WeakPolarHBondContact OD1-CB 3.42Å; D249-A251 PolarHBondContact OD1-N 2.83Å; A251-T379 VanDerWaalsContact O-CB 3.32Å; A251-T379 WeakPolarHBondContact O-CB 3.17Å; A251-T379 PolarHBondContact O-N 3.18Å; A251-T379 PolarHBondContact O-OG1 3.19Å |
| 252 | S | 95.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -149.7 | 162.5 | 171.7 | 60 | 0 | 0 | 0 | 0 | 111.1 | A224 T248 G377 | A224-S252 WeakPolarHBondContact CB-OG 3.32Å; T248-S252 WeakPolarHBondContact CB-O 3.27Å; T248-S252 WeakPolarHBondContact CG2-O 3.26Å; T248-S252 PolarHBondContact OG1-O 3.44Å; S252-G377 CarbonylContact C-O 3.44Å; S252-G377 WeakPolarHBondContact CA-O 3.4Å |
| 253 | F | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | trans | -130.5 | 163.6 | 177 | -64.3 | -86.3 | 0 | 0 | 0 | 109.3 | T248 V257 L263 F265 L370 I372 G377 | T248-F253 HydrophobicContact CG2-CD1 4.22Å; F253-V257 HydrophobicContact CB-CG2 4.41Å; F253-L263 HydrophobicContact CD1-CB 4.08Å; F253-L263 HydrophobicContact CD1-CD1 4.26Å; F253-L263 HydrophobicContact CD1-CD2 4.11Å; F253-L263 HydrophobicContact CD1-CG 4.4Å; F253-L263 HydrophobicContact CD2-CD1 4.27Å; F253-L263 HydrophobicContact CE1-CB 3.78Å; F253-L263 HydrophobicContact CE1-CD1 4.39Å; F253-L263 HydrophobicContact CE2-CD1 4.4Å; F253-L263 HydrophobicContact CG-CD1 4.19Å; F253-L263 HydrophobicContact CG-CD2 4.42Å; F253-L263 HydrophobicContact CZ-CB 4.27Å; F253-L263 HydrophobicContact CZ-CD1 4.45Å; F253-F265 HydrophobicContact CE1-CB 4.27Å; F253-F265 HydrophobicContact CE1-CD1 4.26Å; F253-F265 HydrophobicContact CZ-CB 4.37Å; F253-F265 HydrophobicContact CZ-CD1 4.02Å; F253-F265 HydrophobicContact CZ-CG 4.48Å; F253-L370 HydrophobicContact CE2-CD1 4.37Å; F253-L370 HydrophobicContact CZ-CD1 4.14Å; F253-I372 HydrophobicContact CD2-CD1 3.51Å; F253-I372 HydrophobicContact CD2-CG1 4.16Å; F253-I372 HydrophobicContact CD2-CG2 4.47Å; F253-I372 HydrophobicContact CE2-CD1 3.41Å; F253-I372 VanDerWaalsContact CE2-CD1 3.41Å; F253-I372 HydrophobicContact CE2-CG1 4.16Å; F253-I372 HydrophobicContact CG-CD1 4.43Å; F253-I372 HydrophobicContact CZ-CD1 4.28Å; F253-G377 PolarHBondContact N-O 2.88Å | ||
| 254 | P | 97.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 12% | 0.117 | 25% | 0.25 | C | S | . | . | trans | -52.5 | 143.4 | 169.5 | -26.8 | 35.5 | 0 | 0 | 0 | 111.8 | S221 I225 V257 | S221-P254 WeakPolarHBondContact O-CB 3.43Å; S221-P254 WeakPolarHBondContact O-CG 3.41Å; I225-P254 HydrophobicContact CD1-CG 4.19Å; I225-P254 HydrophobicContact CG1-CG 4.27Å; P254-V257 WeakPolarHBondContact O-CG2 3.26Å | ||
| 255 | P | 95.5 | Very high | 96.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -66.4 | 167.9 | -176.3 | 27.7 | -35 | 0 | 0 | 0 | 112.6 | I38 T42 I220 I375 | I38-P255 HydrophobicContact CG2-CB 4.14Å; T42-P255 HydrophobicContact CG2-CB 4.42Å; I220-P255 HydrophobicContact CD1-CG 4.46Å; I220-P255 HydrophobicContact CG1-CG 3.55Å; P255-I375 WeakPolarHBondContact CA-O 2.97Å; P255-I375 WeakPolarHBondContact CB-O 3.21Å |
| 256 | F | 95.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 63 | 45.5 | -178.7 | -42.2 | -75.6 | 0 | 0 | 0 | 113.7 | D35 I38 K39 K258 P374 I375 | D35-F256 HydrophobicContact CB-CZ 4.27Å; D35-F256 WeakPolarHBondContact OD1-CE1 3.37Å; I38-F256 HydrophobicContact CB-CZ 4.1Å; I38-F256 HydrophobicContact CG2-CE1 4.27Å; I38-F256 HydrophobicContact CG2-CE2 4.47Å; I38-F256 HydrophobicContact CG2-CZ 3.87Å; K39-F256 HydrophobicContact CD-CE2 4.46Å; K39-F256 HydrophobicContact CG-CE2 3.89Å; K39-F256 HydrophobicContact CG-CZ 4.24Å; F256-K258 PolarHBondContact O-N 3.41Å; F256-P374 CarbonylContact C-O 3.56Å; F256-P374 WeakPolarHBondContact CA-O 3.28Å; F256-P374 PolarHBondContact N-O 2.89Å; F256-P374 VanDerWaalsContact N-O 3.15Å; F256-I375 HydrophobicContact CE1-CG2 4.46Å; F256-I375 PolarHBondContact N-O 3.15Å |
| 257 | V | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -62 | 130.8 | 179.2 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | F253 P254 L263 F292 I372 P374 | F253-V257 HydrophobicContact CB-CG2 4.41Å; P254-V257 WeakPolarHBondContact O-CG2 3.26Å; V257-L263 HydrophobicContact CG1-CD1 4.05Å; V257-L263 HydrophobicContact CG1-CD2 4.25Å; V257-F292 HydrophobicContact CG1-CE2 3.81Å; V257-F292 HydrophobicContact CG1-CZ 3.69Å; V257-I372 HydrophobicContact CG2-CG2 4.19Å; V257-P374 PolarHBondContact N-O 2.83Å | ||
| 258 | K | 97.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 44 Ų | 44 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | trans | -104.3 | 157.8 | 177.4 | -55.4 | 179.4 | -178.9 | 175.5 | 0 | 111.5 | F256 D260 Q261 | F256-K258 PolarHBondContact O-N 3.41Å; K258-D260 WeakPolarHBondContact CB-OD1 3.45Å; K258-Q261 HydrophobicContact CB-CB 4.36Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; K258-Q261 PolarHBondContact O-N 2.89Å | ||
| 259 | K | 97.5 | Very high | 96.6 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.2 | -179.2 | -61.5 | -177.8 | -177.5 | 175 | 0 | 113.7 | Q261 F278 K281 Y290 | K259-Q261 VanDerWaalsContact C-N 3.27Å; K259-F278 HydrophobicContact CB-CB 4.28Å; K259-F278 HydrophobicContact CB-CD1 4.02Å; K259-F278 HydrophobicContact CB-CD2 4.11Å; K259-F278 HydrophobicContact CB-CE1 4.44Å; K259-F278 HydrophobicContact CB-CG 3.85Å; K259-F278 HydrophobicContact CD-CD1 4.26Å; K259-F278 HydrophobicContact CD-CD2 4.44Å; K259-F278 HydrophobicContact CD-CE1 3.85Å; K259-F278 HydrophobicContact CD-CE2 4.04Å; K259-F278 HydrophobicContact CD-CZ 3.73Å; K259-F278 HydrophobicContact CG-CD1 4.29Å; K259-F278 HydrophobicContact CG-CD2 3.87Å; K259-F278 HydrophobicContact CG-CE1 4.27Å; K259-F278 HydrophobicContact CG-CE2 3.85Å; K259-F278 HydrophobicContact CG-CG 4.1Å; K259-F278 HydrophobicContact CG-CZ 4.06Å; K259-F278 WeakPolarHBondContact O-CB 3.37Å; K259-K281 VanDerWaalsContact NZ-CE 3.29Å; K259-Y290 HydrophobicContact CG-CD2 4.09Å; K259-Y290 HydrophobicContact CG-CE1 4.41Å; K259-Y290 HydrophobicContact CG-CE2 3.7Å |
| 260 | D | 97.1 | Very high | 96.6 | Very high | 137 Ų | 137 | 44.9 Ų | 44.9 | 73% | 0.733 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -3.6 | 177.5 | 61 | -31.6 | 0 | 0 | 0 | 112.7 | K258 | K258-D260 WeakPolarHBondContact CB-OD1 3.45Š|
| 261 | Q | 95.8 | Very high | 96.7 | Very high | 72 Ų | 72 | 44.9 Ų | 44.9 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | trans | -80.2 | 138.9 | 180 | -170.8 | 176.9 | -8 | 0 | 0 | 111.2 | K258 K259 L263 F292 | K258-Q261 HydrophobicContact CB-CB 4.36Å; K258-Q261 WeakPolarHBondContact O-CB 3.44Å; K258-Q261 PolarHBondContact O-N 2.89Å; K259-Q261 VanDerWaalsContact C-N 3.27Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; Q261-F292 WeakPolarHBondContact O-CE1 3.26Å | ||
| 262 | V | 97.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | trans | -90.6 | 120.3 | 167 | 177 | 0 | 0 | 0 | 0 | 109 | Y275 | V262-Y275 HydrophobicContact CG1-CD2 3.63Å; V262-Y275 HydrophobicContact CG1-CG 3.9Å | ||
| 263 | L | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 108.8 | -178.9 | -63.9 | -175.1 | 0 | 0 | 0 | 110.3 | F253 V257 Q261 Y275 G276 F292 I372 | F253-L263 HydrophobicContact CD1-CB 4.08Å; F253-L263 HydrophobicContact CD1-CD1 4.26Å; F253-L263 HydrophobicContact CD1-CD2 4.11Å; F253-L263 HydrophobicContact CD1-CG 4.4Å; F253-L263 HydrophobicContact CD2-CD1 4.27Å; F253-L263 HydrophobicContact CE1-CB 3.78Å; F253-L263 HydrophobicContact CE1-CD1 4.39Å; F253-L263 HydrophobicContact CE2-CD1 4.4Å; F253-L263 HydrophobicContact CG-CD1 4.19Å; F253-L263 HydrophobicContact CG-CD2 4.42Å; F253-L263 HydrophobicContact CZ-CB 4.27Å; F253-L263 HydrophobicContact CZ-CD1 4.45Å; V257-L263 HydrophobicContact CG1-CD1 4.05Å; V257-L263 HydrophobicContact CG1-CD2 4.25Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; L263-Y275 CarbonylContact O-C 3.5Å; L263-Y275 WeakPolarHBondContact O-CA 3.19Å; L263-G276 PolarHBondContact N-O 2.62Å; L263-G276 VanDerWaalsContact N-O 3.08Å; L263-G276 PolarHBondContact O-N 2.92Å; L263-F292 HydrophobicContact CB-CD1 4.4Å; L263-F292 HydrophobicContact CD1-CD1 3.73Å; L263-F292 HydrophobicContact CD1-CD2 3.8Å; L263-F292 HydrophobicContact CD1-CE1 3.71Å; L263-F292 HydrophobicContact CD1-CE2 3.76Å; L263-F292 HydrophobicContact CD1-CG 3.79Å; L263-F292 HydrophobicContact CD1-CZ 3.72Å; L263-F292 HydrophobicContact CG-CD1 3.93Å; L263-F292 HydrophobicContact CG-CE1 3.74Å; L263-F292 HydrophobicContact CG-CG 4.47Å; L263-F292 HydrophobicContact CG-CZ 4.1Å; L263-I372 HydrophobicContact CD1-CD1 3.21Å |
| 264 | R | 98.3 | Very high | 97 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.4 | 176.7 | -65.9 | -177 | 177.9 | 81.7 | -0.5 | 110.5 | N246 G247 T248 I274 | N246-R264 HydrophobicContact CB-CB 4.33Å; G247-R264 WeakPolarHBondContact CA-O 3.31Å; T248-R264 PolarHBondContact N-O 2.6Å; R264-I274 WeakPolarHBondContact CA-O 3.38Å |
| 265 | F | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 149.4 | 172.5 | 54.3 | -86 | 0 | 0 | 0 | 110.7 | N246 T248 F253 S273 I274 V294 L370 | N246-F265 CarbonylContact O-C 3.39Å; T248-F265 CarbonylContact O-C 3.54Å; T248-F265 VanDerWaalsContact O-CA 3.23Å; T248-F265 WeakPolarHBondContact O-CA 3.37Å; T248-F265 WeakPolarHBondContact O-CB 3.4Å; F253-F265 HydrophobicContact CE1-CB 4.27Å; F253-F265 HydrophobicContact CE1-CD1 4.26Å; F253-F265 HydrophobicContact CZ-CB 4.37Å; F253-F265 HydrophobicContact CZ-CD1 4.02Å; F253-F265 HydrophobicContact CZ-CG 4.48Å; F265-S273 WeakPolarHBondContact O-CA 3.35Å; F265-I274 HydrophobicContact CD2-CG2 3.75Å; F265-I274 HydrophobicContact CE1-CG2 4.18Å; F265-I274 HydrophobicContact CE2-CG2 3.22Å; F265-I274 HydrophobicContact CG-CG2 4.42Å; F265-I274 HydrophobicContact CZ-CG2 3.48Å; F265-I274 VanDerWaalsContact CZ-CG2 3.48Å; F265-I274 PolarHBondContact N-O 3.39Å; F265-I274 PolarHBondContact O-N 3Å; F265-I274 VanDerWaalsContact O-O 3.12Å; F265-V294 HydrophobicContact CZ-CG2 3.91Å; F265-L370 HydrophobicContact CD1-CD1 4.11Å; F265-L370 HydrophobicContact CE1-CD1 3.59Å; F265-L370 HydrophobicContact CZ-CD1 3.84Å |
| 266 | F | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136 | 175.9 | 170.8 | -113.9 | 0 | 0 | 0 | 110.1 | Y211 I226 Y229 L235 V245 N246 T248 R272 | Y211-F266 HydrophobicContact CE1-CD1 4.06Å; Y211-F266 HydrophobicContact CE1-CE1 4.13Å; I226-F266 HydrophobicContact CD1-CB 3.76Å; I226-F266 HydrophobicContact CD1-CD1 3.97Å; I226-F266 HydrophobicContact CD1-CG 4.34Å; Y229-F266 AromaticContact CD1-CE1 3.94Å; Y229-F266 HydrophobicContact CD1-CE1 3.94Å; Y229-F266 AromaticContact CD1-CZ 3.89Å; Y229-F266 HydrophobicContact CD1-CZ 3.89Å; Y229-F266 AromaticContact CD2-CE1 3.83Å; Y229-F266 HydrophobicContact CD2-CE1 3.83Å; Y229-F266 HydrophobicContact CE1-CE1 4.19Å; Y229-F266 AromaticContact CE1-CZ 4Å; Y229-F266 HydrophobicContact CE1-CZ 4Å; Y229-F266 HydrophobicContact CE2-CE1 4.08Å; Y229-F266 AromaticContact CG-CE1 3.75Å; Y229-F266 HydrophobicContact CG-CE1 3.75Å; Y229-F266 HydrophobicContact CG-CZ 4.18Å; L235-F266 HydrophobicContact CD1-CD2 4.46Å; L235-F266 HydrophobicContact CD1-CE2 3.81Å; L235-F266 HydrophobicContact CD2-CE2 3.59Å; L235-F266 HydrophobicContact CD2-CZ 3.69Å; L235-F266 HydrophobicContact CG-CE2 4.3Å; V245-F266 HydrophobicContact CG1-CB 4Å; V245-F266 HydrophobicContact CG1-CD1 4.12Å; V245-F266 HydrophobicContact CG1-CD2 4.32Å; V245-F266 HydrophobicContact CG1-CG 3.88Å; N246-F266 PolarHBondContact O-N 3.28Å; T248-F266 PolarHBondContact O-N 3.43Å; F266-R272 WeakPolarHBondContact CD2-O 3.27Å |
| 267 | S | 97.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 112.9 | 169 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | D269 I270 C271 R272 K384 | S267-D269 PolarHBondContact O-N 3.33Å; S267-I270 PolarHBondContact O-N 3.1Å; S267-C271 PolarHBondContact O-N 2.84Å; S267-C271 VanDerWaalsContact O-N 3.11Å; S267-R272 PolarHBondContact N-O 3.36Å; S267-K384 PolarHBondContact OG-NZ 2.94Å |
| 268 | S | 96.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.2 | -31.6 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 113 | D208 Y211 I270 C271 | D208-S268 VanDerWaalsContact OD2-CB 3.26Å; D208-S268 WeakPolarHBondContact OD2-CB 3.41Å; D208-S268 PolarHBondContact OD2-OG 3.28Å; Y211-S268 PolarHBondContact OH-OG 3.46Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 2.89Å; S268-C271 PolarHBondContact O-N 3.25Å; S268-C271 PolarHBondContact O-SG 2.83Å |
| 269 | D | 94.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -60.7 | -34.9 | 179.3 | -62.6 | -33.3 | 0 | 0 | 0 | 113.4 | S267 K384 | S267-D269 PolarHBondContact O-N 3.33Å; D269-K384 IonicContact OD2-NZ 3.95Å; D269-K384 PolarHBondContact OD2-NZ 3.43Å |
| 270 | I | 96.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -106.9 | 4.1 | 178.9 | 69 | 171.9 | 0 | 0 | 0 | 112.8 | S267 S268 R272 I274 I329 I340 L386 | S267-I270 PolarHBondContact O-N 3.1Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 2.89Å; I270-R272 VanDerWaalsContact C-N 3.27Å; I270-R272 HydrophobicContact CD1-CG 3.96Å; I270-R272 HydrophobicContact CG1-CG 4.01Å; I270-R272 PolarHBondContact O-N 2.83Å; I270-I274 HydrophobicContact CD1-CD1 4.37Å; I270-I329 WeakPolarHBondContact O-CG2 3.22Å; I270-I340 HydrophobicContact CG2-CG1 4.39Å; I270-I340 HydrophobicContact CG2-CG2 3.85Å; I270-L386 HydrophobicContact CG2-CD1 3.84Å; I270-L386 HydrophobicContact CG2-CD2 3.78Å; I270-L386 HydrophobicContact CG2-CG 4.47Å |
| 271 | C | 96.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 31.3 | 172.7 | -51.5 | 0 | 0 | 0 | 0 | 115.1 | L235 Y237 W238 S267 S268 C332 | L235-C271 VanDerWaalsContact CD1-O 3.29Å; L235-C271 WeakPolarHBondContact CD1-O 3.5Å; Y237-C271 HydrophobicContact CD2-CB 4.06Å; Y237-C271 HydrophobicContact CE2-CB 4.24Å; W238-C271 PolarHBondContact NE1-O 2.88Å; S267-C271 PolarHBondContact O-N 2.84Å; S267-C271 VanDerWaalsContact O-N 3.11Å; S268-C271 PolarHBondContact O-N 3.25Å; S268-C271 PolarHBondContact O-SG 2.83Å; C271-C332 HydrophobicContact CB-CB 3.56Å; C271-C332 WeakPolarHBondContact CB-SG 3.39Å; C271-C332 WeakPolarHBondContact SG-CB 3.28Å; C271-C332 CovalentContact SG-SG 2Å; C271-C332 PolarHBondContact SG-SG 2.89Å |
| 272 | R | 97.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 164.7 | 173.6 | 63.1 | 171.6 | -75.1 | -174.4 | -4 | 111.9 | F266 S267 I270 A298 F311 L327 | F266-R272 WeakPolarHBondContact CD2-O 3.27Å; S267-R272 PolarHBondContact N-O 3.36Å; I270-R272 VanDerWaalsContact C-N 3.27Å; I270-R272 HydrophobicContact CD1-CG 3.96Å; I270-R272 HydrophobicContact CG1-CG 4.01Å; I270-R272 PolarHBondContact O-N 2.83Å; R272-A298 PolarHBondContact NH1-O 3.44Å; R272-F311 HydrophobicContact CB-CE1 3.82Å; R272-F311 HydrophobicContact CB-CZ 4.28Å; R272-F311 HydrophobicContact CG-CE1 4.38Å; R272-F311 VanDerWaalsContact NH1-CE2 3.26Å; R272-L327 HydrophobicContact CG-CD2 4.01Å |
| 273 | S | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 146.6 | 161.1 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | L244 N246 F265 | L244-S273 PolarHBondContact O-OG 3.22Å; N246-S273 PolarHBondContact N-OG 3.33Å; N246-S273 PolarHBondContact O-OG 3.3Å; N246-S273 VanDerWaalsContact O-OG 3.07Å; F265-S273 WeakPolarHBondContact O-CA 3.35Å |
| 274 | I | 97 | Very high | 97.4 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -178.9 | 178 | -159.8 | 160.6 | 0 | 0 | 0 | 109 | R264 F265 I270 V294 A298 F299 | R264-I274 WeakPolarHBondContact CA-O 3.38Å; F265-I274 HydrophobicContact CD2-CG2 3.75Å; F265-I274 HydrophobicContact CE1-CG2 4.18Å; F265-I274 HydrophobicContact CE2-CG2 3.22Å; F265-I274 HydrophobicContact CG-CG2 4.42Å; F265-I274 HydrophobicContact CZ-CG2 3.48Å; F265-I274 VanDerWaalsContact CZ-CG2 3.48Å; F265-I274 PolarHBondContact N-O 3.39Å; F265-I274 PolarHBondContact O-N 3Å; F265-I274 VanDerWaalsContact O-O 3.12Å; I270-I274 HydrophobicContact CD1-CD1 4.37Å; I274-V294 HydrophobicContact CD1-CG1 3.45Å; I274-V294 VanDerWaalsContact CD1-CG1 3.45Å; I274-V294 HydrophobicContact CG1-CG1 3.91Å; I274-A298 HydrophobicContact CD1-CB 3.95Å; I274-A298 HydrophobicContact CG1-CB 3.9Å; I274-F299 HydrophobicContact CD1-CE1 4.22Å; I274-F299 HydrophobicContact CD1-CE2 4.2Å; I274-F299 HydrophobicContact CD1-CZ 3.75Å |
| 275 | Y | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 40 Ų | 40 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 153.4 | -177.5 | 64.3 | -82.5 | 0 | 0 | 0 | 112.2 | V262 L263 V277 P295 A298 | V262-Y275 HydrophobicContact CG1-CD2 3.63Å; V262-Y275 HydrophobicContact CG1-CG 3.9Å; L263-Y275 CarbonylContact O-C 3.5Å; L263-Y275 WeakPolarHBondContact O-CA 3.19Å; Y275-V277 HydrophobicContact CD2-CG1 3.99Å; Y275-V277 HydrophobicContact CE2-CG1 4.01Å; Y275-P295 HydrophobicContact CD2-CG 4.04Å; Y275-P295 HydrophobicContact CE2-CG 3.33Å; Y275-P295 WeakPolarHBondContact O-CD 3.14Å; Y275-A298 HydrophobicContact CE1-CB 3.93Å |
| 276 | G | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 148.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L263 T293 | L263-G276 PolarHBondContact N-O 2.62Å; L263-G276 VanDerWaalsContact N-O 3.08Å; L263-G276 PolarHBondContact O-N 2.92Å; G276-T293 CarbonylContact C-O 3.52Å; G276-T293 VanDerWaalsContact CA-O 3.23Å; G276-T293 WeakPolarHBondContact CA-O 3.36Å |
| 277 | V | 98.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.3 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | Y275 Q279 F292 T293 P295 | Y275-V277 HydrophobicContact CD2-CG1 3.99Å; Y275-V277 HydrophobicContact CE2-CG1 4.01Å; V277-Q279 PolarHBondContact O-N 3.37Å; V277-F292 VanDerWaalsContact C-CD1 3.41Å; V277-F292 CarbonylContact O-C 3.51Å; V277-F292 VanDerWaalsContact O-CA 3.22Å; V277-F292 WeakPolarHBondContact O-CA 3.37Å; V277-T293 PolarHBondContact N-O 2.99Å; V277-T293 PolarHBondContact O-N 2.95Å; V277-P295 HydrophobicContact CG1-CG 4.15Å; V277-P295 HydrophobicContact CG2-CB 3.86Å; V277-P295 HydrophobicContact CG2-CG 4.04Å |
| 278 | F | 98.6 | Very high | 96.7 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 130.4 | -179.6 | 176.3 | -94.8 | 0 | 0 | 0 | 111.1 | K259 S280 K281 Y290 F292 | K259-F278 HydrophobicContact CB-CB 4.28Å; K259-F278 HydrophobicContact CB-CD1 4.02Å; K259-F278 HydrophobicContact CB-CD2 4.11Å; K259-F278 HydrophobicContact CB-CE1 4.44Å; K259-F278 HydrophobicContact CB-CG 3.85Å; K259-F278 HydrophobicContact CD-CD1 4.26Å; K259-F278 HydrophobicContact CD-CD2 4.44Å; K259-F278 HydrophobicContact CD-CE1 3.85Å; K259-F278 HydrophobicContact CD-CE2 4.04Å; K259-F278 HydrophobicContact CD-CZ 3.73Å; K259-F278 HydrophobicContact CG-CD1 4.29Å; K259-F278 HydrophobicContact CG-CD2 3.87Å; K259-F278 HydrophobicContact CG-CE1 4.27Å; K259-F278 HydrophobicContact CG-CE2 3.85Å; K259-F278 HydrophobicContact CG-CG 4.1Å; K259-F278 HydrophobicContact CG-CZ 4.06Å; K259-F278 WeakPolarHBondContact O-CB 3.37Å; F278-S280 WeakPolarHBondContact CE2-O 3.08Å; F278-S280 VanDerWaalsContact CZ-C 3.46Å; F278-K281 HydrophobicContact CZ-CG 4.24Å; F278-Y290 HydrophobicContact CD2-CD2 4.48Å; F278-Y290 HydrophobicContact CD2-CG 4.09Å; F278-Y290 AromaticContact CE2-CD1 3.81Å; F278-Y290 HydrophobicContact CE2-CD1 3.81Å; F278-Y290 HydrophobicContact CE2-CD2 4.45Å; F278-Y290 HydrophobicContact CE2-CE1 4.49Å; F278-Y290 AromaticContact CE2-CG 3.78Å; F278-Y290 HydrophobicContact CE2-CG 3.78Å; F278-F292 HydrophobicContact CB-CD1 4.42Å; F278-F292 HydrophobicContact CB-CE1 4Å; F278-F292 HydrophobicContact CB-CZ 4.19Å; F278-F292 HydrophobicContact CD2-CE2 4.48Å |
| 279 | Q | 97.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -52.7 | 177.1 | -171.3 | -167.1 | 49.5 | 0 | 0 | 110.9 | V277 R291 T293 E367 | V277-Q279 PolarHBondContact O-N 3.37Å; Q279-R291 HydrophobicContact CB-CG 4.46Å; Q279-R291 PolarHBondContact N-O 3.16Å; Q279-R291 VanDerWaalsContact OE1-CD 3.25Å; Q279-T293 HydrophobicContact CB-CG2 4.07Å; Q279-T293 HydrophobicContact CG-CG2 4.35Å; Q279-E367 PolarHBondContact NE2-OE2 3.35Å |
| 280 | S | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 166.8 | -172 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | F278 Q282 R291 | F278-S280 WeakPolarHBondContact CE2-O 3.08Å; F278-S280 VanDerWaalsContact CZ-C 3.46Å; S280-Q282 PolarHBondContact OG-NE2 3.1Å; S280-R291 WeakPolarHBondContact O-CB 3.38Å; S280-R291 PolarHBondContact O-N 2.8Å |
| 281 | K | 98.2 | Very high | 97.1 | Very high | 141 Ų | 141 | 43.9 Ų | 43.9 | 61% | 0.613 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.8 | 168.5 | -67.2 | -174.3 | -179.8 | -177.3 | 0 | 109.3 | K259 F278 L289 Y290 | K259-K281 VanDerWaalsContact NZ-CE 3.29Å; F278-K281 HydrophobicContact CZ-CG 4.24Å; K281-L289 WeakPolarHBondContact CA-O 3.14Å; K281-Y290 HydrophobicContact CG-CD1 4.26Å; K281-Y290 HydrophobicContact CG-CE1 4.21Å |
| 282 | Q | 97.5 | Very high | 97.2 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.3 | 176.8 | -61.8 | -59.9 | -35.8 | 0 | 0 | 110.2 | S280 L289 R291 | S280-Q282 PolarHBondContact OG-NE2 3.1Å; Q282-L289 HydrophobicContact CB-CB 4.37Å; Q282-L289 PolarHBondContact N-O 3.33Å; Q282-L289 PolarHBondContact O-N 2.79Å; Q282-R291 HydrophobicContact CG-CB 3.82Å |
| 283 | T | 96.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 43.5 Ų | 43.5 | 66% | 0.656 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 115 | 170.2 | -58.8 | 0 | 0 | 0 | 0 | 108.5 | I287 | T283-I287 WeakPolarHBondContact CA-O 3.36Å |
| 284 | V | 95.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.3 | -177.9 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | G286 I287 L289 V420 I421 | V284-G286 PolarHBondContact O-N 2.92Å; V284-G286 VanDerWaalsContact O-N 3.12Å; V284-I287 PolarHBondContact N-O 3.3Å; V284-I287 WeakPolarHBondContact O-CB 3.22Å; V284-I287 PolarHBondContact O-N 2.93Å; V284-L289 HydrophobicContact CB-CD1 3.78Å; V284-L289 HydrophobicContact CG2-CD1 3.63Å; V284-V420 HydrophobicContact CG1-CG1 3.89Å; V284-I421 HydrophobicContact CG1-CG2 4.35Å |
| 285 | K | 94.5 | Very high | 97.2 | Very high | 70 Ų | 70 | 44 Ų | 44 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.3 | -179.1 | -56.6 | -172.1 | 176.2 | -163.3 | 0 | 112.6 | I287 I421 D423 A426 R430 | K285-I287 VanDerWaalsContact C-N 3.3Å; K285-I287 PolarHBondContact O-N 3.27Å; K285-I421 HydrophobicContact CD-CG2 4.3Å; K285-I421 VanDerWaalsContact CD-O 3.24Å; K285-I421 WeakPolarHBondContact CD-O 3.38Å; K285-I421 WeakPolarHBondContact CE-O 3.43Å; K285-I421 PolarHBondContact NZ-O 3.46Å; K285-D423 VanDerWaalsContact CD-OD1 3.27Å; K285-D423 WeakPolarHBondContact CD-OD1 3.32Å; K285-D423 WeakPolarHBondContact CE-OD1 3.4Å; K285-D423 IonicContact NZ-OD1 3.49Å; K285-D423 PolarHBondContact NZ-OD1 3.06Å; K285-D423 IonicContact NZ-OD2 3.09Å; K285-D423 PolarHBondContact NZ-OD2 3.25Å; K285-A426 HydrophobicContact CB-CB 3.84Å; K285-A426 HydrophobicContact CD-CB 3.88Å; K285-R430 PolarHBondContact O-NH1 2.81Å |
| 286 | G | 93.4 | Very high | 97.1 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 10.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V284 | V284-G286 PolarHBondContact O-N 2.92Å; V284-G286 VanDerWaalsContact O-N 3.12Å |
| 287 | I | 94.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.4 | 176.8 | -54.9 | 165.6 | 0 | 0 | 0 | 108.5 | T283 V284 K285 L289 E373 L380 I421 A426 F429 R430 | T283-I287 WeakPolarHBondContact CA-O 3.36Å; V284-I287 PolarHBondContact N-O 3.3Å; V284-I287 WeakPolarHBondContact O-CB 3.22Å; V284-I287 PolarHBondContact O-N 2.93Å; K285-I287 VanDerWaalsContact C-N 3.3Å; K285-I287 PolarHBondContact O-N 3.27Å; I287-L289 HydrophobicContact CG2-CD2 3.82Å; I287-E373 HydrophobicContact CG2-CG 3.92Å; I287-L380 HydrophobicContact CD1-CD1 3.98Å; I287-L380 HydrophobicContact CG2-CD1 4.03Å; I287-I421 HydrophobicContact CD1-CD1 4.37Å; I287-A426 HydrophobicContact CD1-CB 4.08Å; I287-F429 HydrophobicContact CD1-CB 4.18Å; I287-F429 HydrophobicContact CD1-CD1 3.67Å; I287-F429 HydrophobicContact CD1-CE1 4.47Å; I287-F429 HydrophobicContact CD1-CG 4.18Å; I287-F429 HydrophobicContact CG1-CD1 4.16Å; I287-F429 HydrophobicContact CG2-CD1 4.1Å; I287-F429 HydrophobicContact CG2-CE1 3.87Å; I287-R430 HydrophobicContact CD1-CG 4.31Å; I287-R430 HydrophobicContact CG1-CG 3.69Å |
| 288 | P | 95.9 | Very high | 97 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.4 | 176.6 | 29.9 | -33 | 0 | 0 | 0 | 110.9 | ||
| 289 | L | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 159.5 | -177.1 | -51.7 | 179.5 | 0 | 0 | 0 | 111.4 | K281 Q282 V284 I287 D371 I372 E373 L380 | K281-L289 WeakPolarHBondContact CA-O 3.14Å; Q282-L289 HydrophobicContact CB-CB 4.37Å; Q282-L289 PolarHBondContact N-O 3.33Å; Q282-L289 PolarHBondContact O-N 2.79Å; V284-L289 HydrophobicContact CB-CD1 3.78Å; V284-L289 HydrophobicContact CG2-CD1 3.63Å; I287-L289 HydrophobicContact CG2-CD2 3.82Å; L289-D371 HydrophobicContact CB-CB 4.12Å; L289-D371 HydrophobicContact CD1-CB 3.67Å; L289-I372 CarbonylContact C-O 3.55Å; L289-I372 WeakPolarHBondContact CA-O 3.18Å; L289-E373 HydrophobicContact CD2-CB 3.59Å; L289-E373 HydrophobicContact CD2-CG 4.04Å; L289-L380 HydrophobicContact CD1-CB 4.1Å; L289-L380 HydrophobicContact CD2-CB 4.26Å; L289-L380 HydrophobicContact CD2-CD1 3.93Å; L289-L380 HydrophobicContact CD2-CG 4.2Å |
| 290 | Y | 98.6 | Very high | 96.8 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.3 | 168.2 | -70.2 | -10.5 | 0 | 0 | 0 | 109.6 | K259 F278 K281 F292 D371 I372 P374 | K259-Y290 HydrophobicContact CG-CD2 4.09Å; K259-Y290 HydrophobicContact CG-CE1 4.41Å; K259-Y290 HydrophobicContact CG-CE2 3.7Å; F278-Y290 HydrophobicContact CD2-CD2 4.48Å; F278-Y290 HydrophobicContact CD2-CG 4.09Å; F278-Y290 AromaticContact CE2-CD1 3.81Å; F278-Y290 HydrophobicContact CE2-CD1 3.81Å; F278-Y290 HydrophobicContact CE2-CD2 4.45Å; F278-Y290 HydrophobicContact CE2-CE1 4.49Å; F278-Y290 AromaticContact CE2-CG 3.78Å; F278-Y290 HydrophobicContact CE2-CG 3.78Å; K281-Y290 HydrophobicContact CG-CD1 4.26Å; K281-Y290 HydrophobicContact CG-CE1 4.21Å; Y290-F292 HydrophobicContact CD2-CE2 4.43Å; Y290-D371 WeakPolarHBondContact O-CA 3.22Å; Y290-I372 PolarHBondContact N-O 3.38Å; Y290-I372 PolarHBondContact O-N 2.9Å; Y290-P374 HydrophobicContact CD2-CB 3.8Å; Y290-P374 HydrophobicContact CD2-CG 4.48Å; Y290-P374 HydrophobicContact CE1-CG 4.44Å; Y290-P374 HydrophobicContact CE2-CB 3.58Å; Y290-P374 HydrophobicContact CE2-CG 4.24Å; Y290-P374 HydrophobicContact CG-CB 4.41Å |
| 291 | R | 98.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.9 | 172.8 | 180 | 157.6 | -68.1 | -179.1 | 1.8 | 109.7 | Q279 S280 Q282 T293 F369 D371 | Q279-R291 HydrophobicContact CB-CG 4.46Å; Q279-R291 PolarHBondContact N-O 3.16Å; Q279-R291 VanDerWaalsContact OE1-CD 3.25Å; S280-R291 WeakPolarHBondContact O-CB 3.38Å; S280-R291 PolarHBondContact O-N 2.8Å; Q282-R291 HydrophobicContact CG-CB 3.82Å; R291-T293 HydrophobicContact CG-CG2 4.06Å; R291-F369 HydrophobicContact CG-CB 4.15Å; R291-D371 VanDerWaalsContact CA-OD1 3.3Å; R291-D371 WeakPolarHBondContact CA-OD1 3.27Å; R291-D371 WeakPolarHBondContact CB-OD1 3.31Å; R291-D371 WeakPolarHBondContact CG-OD1 3.41Å; R291-D371 IonicContact CZ-OD1 3.8Å; R291-D371 IonicContact CZ-OD2 3.07Å; R291-D371 IonicContact NE-OD1 3.27Å; R291-D371 PolarHBondContact NE-OD1 2.94Å; R291-D371 IonicContact NE-OD2 2.86Å; R291-D371 IonicContact NH2-OD1 2.82Å; R291-D371 IonicContact NH2-OD2 3.42Å; R291-D371 PolarHBondContact NH2-OD2 3.39Å |
| 292 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.8 | 168.5 | -74.5 | -100.1 | 0 | 0 | 0 | 109.3 | V257 Q261 L263 V277 F278 Y290 F369 L370 I372 | V257-F292 HydrophobicContact CG1-CE2 3.81Å; V257-F292 HydrophobicContact CG1-CZ 3.69Å; Q261-F292 WeakPolarHBondContact O-CE1 3.26Å; L263-F292 HydrophobicContact CB-CD1 4.4Å; L263-F292 HydrophobicContact CD1-CD1 3.73Å; L263-F292 HydrophobicContact CD1-CD2 3.8Å; L263-F292 HydrophobicContact CD1-CE1 3.71Å; L263-F292 HydrophobicContact CD1-CE2 3.76Å; L263-F292 HydrophobicContact CD1-CG 3.79Å; L263-F292 HydrophobicContact CD1-CZ 3.72Å; L263-F292 HydrophobicContact CG-CD1 3.93Å; L263-F292 HydrophobicContact CG-CE1 3.74Å; L263-F292 HydrophobicContact CG-CG 4.47Å; L263-F292 HydrophobicContact CG-CZ 4.1Å; V277-F292 VanDerWaalsContact C-CD1 3.41Å; V277-F292 CarbonylContact O-C 3.51Å; V277-F292 VanDerWaalsContact O-CA 3.22Å; V277-F292 WeakPolarHBondContact O-CA 3.37Å; F278-F292 HydrophobicContact CB-CD1 4.42Å; F278-F292 HydrophobicContact CB-CE1 4Å; F278-F292 HydrophobicContact CB-CZ 4.19Å; F278-F292 HydrophobicContact CD2-CE2 4.48Å; Y290-F292 HydrophobicContact CD2-CE2 4.43Å; F292-F369 CarbonylContact O-C 3.58Å; F292-F369 VanDerWaalsContact O-CA 3.29Å; F292-F369 WeakPolarHBondContact O-CA 3.35Å; F292-L370 PolarHBondContact N-O 2.75Å; F292-L370 PolarHBondContact O-N 2.88Å; F292-I372 HydrophobicContact CB-CD1 4.44Å; F292-I372 HydrophobicContact CD2-CD1 3.76Å; F292-I372 HydrophobicContact CD2-CG1 4.47Å; F292-I372 HydrophobicContact CE2-CD1 4.32Å; F292-I372 HydrophobicContact CG-CD1 4.25Å |
| 293 | T | 98 | Very high | 96.5 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150.6 | 176.4 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | G276 V277 Q279 R291 P295 T368 F369 | G276-T293 CarbonylContact C-O 3.52Å; G276-T293 VanDerWaalsContact CA-O 3.23Å; G276-T293 WeakPolarHBondContact CA-O 3.36Å; V277-T293 PolarHBondContact N-O 2.99Å; V277-T293 PolarHBondContact O-N 2.95Å; Q279-T293 HydrophobicContact CB-CG2 4.07Å; Q279-T293 HydrophobicContact CG-CG2 4.35Å; R291-T293 HydrophobicContact CG-CG2 4.06Å; T293-P295 WeakPolarHBondContact O-CD 3.46Å; T293-T368 WeakPolarHBondContact CA-O 3.29Å; T293-F369 HydrophobicContact CG2-CB 3.9Å |
| 294 | V | 97.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | trans | -74.9 | 115.7 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | F265 I274 A298 F299 T368 | F265-V294 HydrophobicContact CZ-CG2 3.91Å; I274-V294 HydrophobicContact CD1-CG1 3.45Å; I274-V294 VanDerWaalsContact CD1-CG1 3.45Å; I274-V294 HydrophobicContact CG1-CG1 3.91Å; V294-A298 HydrophobicContact CG1-CB 3.83Å; V294-F299 HydrophobicContact CG1-CD2 4.37Å; V294-F299 HydrophobicContact CG1-CE2 3.53Å; V294-F299 HydrophobicContact CG1-CZ 4.13Å; V294-T368 HydrophobicContact CG2-CG2 3.84Å; V294-T368 PolarHBondContact N-O 3.33Å; V294-T368 VanDerWaalsContact N-O 3.11Å | ||
| 295 | P | 96.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | trans | -77 | 158.2 | -173.2 | 32.9 | -35 | 0 | 0 | 0 | 111.6 | Y275 V277 T293 E297 A298 | Y275-P295 HydrophobicContact CD2-CG 4.04Å; Y275-P295 HydrophobicContact CE2-CG 3.33Å; Y275-P295 WeakPolarHBondContact O-CD 3.14Å; V277-P295 HydrophobicContact CG1-CG 4.15Å; V277-P295 HydrophobicContact CG2-CB 3.86Å; V277-P295 HydrophobicContact CG2-CG 4.04Å; T293-P295 WeakPolarHBondContact O-CD 3.46Å; P295-E297 WeakPolarHBondContact CB-OE2 3.19Å; P295-E297 PolarHBondContact O-N 2.84Å; P295-E297 VanDerWaalsContact O-N 3.16Å; P295-A298 VanDerWaalsContact O-CB 3.29Å; P295-A298 WeakPolarHBondContact O-CB 3.4Å; P295-A298 PolarHBondContact O-N 3.11Å | ||
| 296 | R | 96.4 | Very high | 96.6 | Very high | 103 Ų | 103 | 42.6 Ų | 42.6 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -53.1 | -37.6 | 177.3 | 164.6 | 177 | 156.2 | 124.4 | 6.9 | 111.8 | A298 F299 A300 E304 H347 | R296-A298 PolarHBondContact O-N 2.92Å; R296-A298 VanDerWaalsContact O-N 3.14Å; R296-F299 CarbonylContact O-C 3.51Å; R296-F299 PolarHBondContact O-N 3.01Å; R296-A300 PolarHBondContact O-N 2.81Å; R296-A300 VanDerWaalsContact O-N 3.12Å; R296-E304 IonicContact CZ-OE2 2.81Å; R296-E304 IonicContact NE-OE2 3.12Å; R296-E304 VanDerWaalsContact NH2-CD 3.3Å; R296-E304 IonicContact NH2-OE1 2.63Å; R296-E304 PolarHBondContact NH2-OE1 3.26Å; R296-E304 IonicContact NH2-OE2 2.63Å; R296-E304 PolarHBondContact NH2-OE2 3.33Å; R296-H347 HydrophobicContact CB-CB 4.34Å; R296-H347 HydrophobicContact CG-CB 3.96Å |
| 297 | E | 97.3 | Very high | 96.8 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.4 | -26.6 | 179.9 | -68.8 | 83 | 170.5 | 0 | 0 | 112.8 | P295 F299 A300 V305 N308 | P295-E297 WeakPolarHBondContact CB-OE2 3.19Å; P295-E297 PolarHBondContact O-N 2.84Å; P295-E297 VanDerWaalsContact O-N 3.16Å; E297-F299 PolarHBondContact O-N 3.02Å; E297-A300 PolarHBondContact O-N 3.28Å; E297-V305 HydrophobicContact CB-CG2 4.06Å; E297-V305 HydrophobicContact CG-CG2 4.18Å; E297-N308 PolarHBondContact O-ND2 2.82Å |
| 298 | A | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -66.7 | -22.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R272 I274 Y275 V294 P295 R296 | R272-A298 PolarHBondContact NH1-O 3.44Å; I274-A298 HydrophobicContact CD1-CB 3.95Å; I274-A298 HydrophobicContact CG1-CB 3.9Å; Y275-A298 HydrophobicContact CE1-CB 3.93Å; V294-A298 HydrophobicContact CG1-CB 3.83Å; P295-A298 VanDerWaalsContact O-CB 3.29Å; P295-A298 WeakPolarHBondContact O-CB 3.4Å; P295-A298 PolarHBondContact O-N 3.11Å; R296-A298 PolarHBondContact O-N 2.92Å; R296-A298 VanDerWaalsContact O-N 3.14Å |
| 299 | F | 95.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -114.8 | 4.4 | 178 | -56.3 | -79.9 | 0 | 0 | 0 | 113.2 | I274 V294 R296 E297 G325 L342 | I274-F299 HydrophobicContact CD1-CE1 4.22Å; I274-F299 HydrophobicContact CD1-CE2 4.2Å; I274-F299 HydrophobicContact CD1-CZ 3.75Å; V294-F299 HydrophobicContact CG1-CD2 4.37Å; V294-F299 HydrophobicContact CG1-CE2 3.53Å; V294-F299 HydrophobicContact CG1-CZ 4.13Å; R296-F299 CarbonylContact O-C 3.51Å; R296-F299 PolarHBondContact O-N 3.01Å; E297-F299 PolarHBondContact O-N 3.02Å; F299-G325 PolarHBondContact O-N 3.33Å; F299-L342 HydrophobicContact CD2-CD1 4.25Å; F299-L342 HydrophobicContact CD2-CG 4.38Å; F299-L342 HydrophobicContact CE2-CD1 4.06Å; F299-L342 HydrophobicContact CE2-CD2 3.95Å; F299-L342 HydrophobicContact CE2-CG 3.98Å; F299-L342 HydrophobicContact CZ-CD2 4.04Å; F299-L342 HydrophobicContact CZ-CG 4.31Å |
| 300 | A | 97.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | trans | -69.5 | 154.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R296 E297 E304 V305 N308 | R296-A300 PolarHBondContact O-N 2.81Å; R296-A300 VanDerWaalsContact O-N 3.12Å; E297-A300 PolarHBondContact O-N 3.28Å; A300-E304 HydrophobicContact CB-CB 4.09Å; A300-V305 HydrophobicContact CB-CB 4.22Å; A300-V305 HydrophobicContact CB-CG2 3.71Å; A300-N308 PolarHBondContact O-ND2 3.31Å | ||
| 301 | S | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | trans | -72.2 | 159.3 | 178.3 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | A303 E304 V305 T322 L323 | S301-A303 PolarHBondContact O-N 3.3Å; S301-A303 VanDerWaalsContact O-N 3.1Å; S301-E304 PolarHBondContact O-N 3.27Å; S301-V305 PolarHBondContact O-N 3.26Å; S301-T322 WeakPolarHBondContact CB-O 3.45Å; S301-T322 PolarHBondContact OG-O 3.13Å; S301-T322 VanDerWaalsContact OG-O 3.11Å; S301-L323 VanDerWaalsContact CB-O 3.3Å; S301-L323 WeakPolarHBondContact CB-O 3.27Å | ||
| 302 | P | 95.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.9 | 172.5 | -29.9 | 37.2 | 0 | 0 | 0 | 115.1 | E304 V305 K306 C312 C321 | P302-E304 VanDerWaalsContact C-N 3.34Å; P302-V305 WeakPolarHBondContact CA-O 3.25Å; P302-K306 WeakPolarHBondContact O-CA 3.43Å; P302-C312 HydrophobicContact CG-CB 4.29Å; P302-C321 HydrophobicContact CB-CB 4.4Å; P302-C321 WeakPolarHBondContact CD-O 3.48Å; P302-C321 HydrophobicContact CG-CB 3.98Å |
| 303 | A | 95.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S301 T322 | S301-A303 PolarHBondContact O-N 3.3Å; S301-A303 VanDerWaalsContact O-N 3.1Å; A303-T322 HydrophobicContact CB-CG2 4.44Å |
| 304 | E | 95.7 | Very high | 96 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 49% | 0.486 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -47.6 | 176.4 | -66.4 | -179.6 | -156.8 | 0 | 0 | 111.5 | R296 A300 S301 P302 | R296-E304 IonicContact CZ-OE2 2.81Å; R296-E304 IonicContact NE-OE2 3.12Å; R296-E304 VanDerWaalsContact NH2-CD 3.3Å; R296-E304 IonicContact NH2-OE1 2.63Å; R296-E304 PolarHBondContact NH2-OE1 3.26Å; R296-E304 IonicContact NH2-OE2 2.63Å; R296-E304 PolarHBondContact NH2-OE2 3.33Å; A300-E304 HydrophobicContact CB-CB 4.09Å; S301-E304 PolarHBondContact O-N 3.27Å; P302-E304 VanDerWaalsContact C-N 3.34Å |
| 305 | V | 97.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | trans | -125.6 | 97.7 | -177.6 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | E297 A300 S301 P302 D307 N308 | E297-V305 HydrophobicContact CB-CG2 4.06Å; E297-V305 HydrophobicContact CG-CG2 4.18Å; A300-V305 HydrophobicContact CB-CB 4.22Å; A300-V305 HydrophobicContact CB-CG2 3.71Å; S301-V305 PolarHBondContact O-N 3.26Å; P302-V305 WeakPolarHBondContact CA-O 3.25Å; V305-D307 HydrophobicContact CG1-CB 4.4Å; V305-D307 PolarHBondContact O-N 2.63Å; V305-D307 VanDerWaalsContact O-N 3.08Å; V305-N308 WeakPolarHBondContact O-CB 3.22Å; V305-N308 PolarHBondContact O-N 2.77Å | ||
| 306 | K | 96.7 | Very high | 95.6 | Very high | 172 Ų | 172 | 64 Ų | 64 | 75% | 0.748 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -53 | -35.9 | -175.1 | -67.4 | -175.5 | -179.2 | 179.3 | 0 | 113.4 | P302 N308 Y309 | P302-K306 WeakPolarHBondContact O-CA 3.43Å; K306-N308 PolarHBondContact O-N 3.07Å; K306-N308 VanDerWaalsContact O-N 3.09Å; K306-Y309 WeakPolarHBondContact O-CB 3.05Å; K306-Y309 VanDerWaalsContact O-CD1 3.32Å; K306-Y309 WeakPolarHBondContact O-CD1 3.25Å; K306-Y309 PolarHBondContact O-N 3.22Å; K306-Y309 VanDerWaalsContact O-N 3.08Å |
| 307 | D | 96.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -62.6 | -16.2 | -178.8 | -70.9 | -10.8 | 0 | 0 | 0 | 114 | H241 V305 Y309 | H241-D307 PolarHBondContact CE1-O 2.87Å; H241-D307 VanDerWaalsContact CE1-O 3.32Å; H241-D307 PolarHBondContact NE2-O 3.12Å; V305-D307 HydrophobicContact CG1-CB 4.4Å; V305-D307 PolarHBondContact O-N 2.63Å; V305-D307 VanDerWaalsContact O-N 3.08Å; D307-Y309 VanDerWaalsContact C-N 3.28Å; D307-Y309 PolarHBondContact O-N 2.73Å |
| 308 | N | 97.2 | Very high | 95.2 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -83.3 | 2.1 | 176.6 | -70.4 | -20.2 | 0 | 0 | 0 | 113.4 | E297 A300 V305 K306 C310 F311 | E297-N308 PolarHBondContact O-ND2 2.82Å; A300-N308 PolarHBondContact O-ND2 3.31Å; V305-N308 WeakPolarHBondContact O-CB 3.22Å; V305-N308 PolarHBondContact O-N 2.77Å; K306-N308 PolarHBondContact O-N 3.07Å; K306-N308 VanDerWaalsContact O-N 3.09Å; N308-C310 PolarHBondContact O-N 2.77Å; N308-C310 VanDerWaalsContact O-N 3.14Å; N308-F311 HydrophobicContact CB-CD2 4.4Å; N308-F311 PolarHBondContact O-N 2.63Å |
| 309 | Y | 96.1 | Very high | 95 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -51.1 | -40.6 | -176.8 | 77.8 | -91.4 | 0 | 0 | 0 | 113.3 | H241 K306 D307 F311 C312 | H241-Y309 AromaticContact CE1-CE1 3.65Å; K306-Y309 WeakPolarHBondContact O-CB 3.05Å; K306-Y309 VanDerWaalsContact O-CD1 3.32Å; K306-Y309 WeakPolarHBondContact O-CD1 3.25Å; K306-Y309 PolarHBondContact O-N 3.22Å; K306-Y309 VanDerWaalsContact O-N 3.08Å; D307-Y309 VanDerWaalsContact C-N 3.28Å; D307-Y309 PolarHBondContact O-N 2.73Å; Y309-F311 PolarHBondContact O-N 2.73Å; Y309-C312 WeakPolarHBondContact O-CB 3.24Å; Y309-C312 PolarHBondContact O-N 3.29Å; Y309-C312 VanDerWaalsContact O-N 3.11Å |
| 310 | C | 96.5 | Very high | 95 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -78.2 | -1.1 | -176.8 | 40.8 | 0 | 0 | 0 | 0 | 114.6 | E239 H241 C242 N308 | E239-C310 HydrophobicContact CB-CB 4.14Å; E239-C310 WeakPolarHBondContact O-CB 3.43Å; E239-C310 PolarHBondContact O-SG 3.43Å; E239-C310 VanDerWaalsContact O-SG 3.4Å; H241-C310 VanDerWaalsContact CE1-SG 3.52Å; C242-C310 HydrophobicContact CB-CB 3.66Å; C242-C310 WeakPolarHBondContact CB-SG 3.31Å; C242-C310 VanDerWaalsContact SG-C 3.54Å; C242-C310 VanDerWaalsContact SG-CA 3.6Å; C242-C310 WeakPolarHBondContact SG-CB 3.46Å; C242-C310 CovalentContact SG-SG 2.02Å; C242-C310 PolarHBondContact SG-SG 2.82Å; N308-C310 PolarHBondContact O-N 2.77Å; N308-C310 VanDerWaalsContact O-N 3.14Å |
| 311 | F | 96.6 | Very high | 94.9 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -93.5 | -7.2 | 167.1 | -64.9 | -62.8 | 0 | 0 | 0 | 112.9 | W238 C242 R272 N308 Y309 T313 L327 | W238-F311 AromaticContact CD2-CD1 3.56Å; W238-F311 HydrophobicContact CD2-CD1 3.56Å; W238-F311 AromaticContact CD2-CE1 3.81Å; W238-F311 HydrophobicContact CD2-CE1 3.81Å; W238-F311 AromaticContact CE2-CD1 3.76Å; W238-F311 AromaticContact CE2-CE1 3.83Å; W238-F311 AromaticContact CE3-CD1 3.61Å; W238-F311 HydrophobicContact CE3-CD1 3.61Å; W238-F311 HydrophobicContact CE3-CE1 4.33Å; W238-F311 HydrophobicContact CG-CD1 4.11Å; W238-F311 AromaticContact CG-CE1 3.93Å; W238-F311 HydrophobicContact CG-CE1 3.93Å; W238-F311 AromaticContact CH2-CD1 3.98Å; W238-F311 HydrophobicContact CH2-CD1 3.98Å; W238-F311 AromaticContact CZ2-CD1 3.98Å; W238-F311 HydrophobicContact CZ2-CD1 3.98Å; W238-F311 HydrophobicContact CZ2-CE1 4.34Å; W238-F311 HydrophobicContact CZ3-CB 4.3Å; W238-F311 AromaticContact CZ3-CD1 3.82Å; W238-F311 HydrophobicContact CZ3-CD1 3.82Å; W238-F311 AromaticContact NE1-CE1 3.99Å; C242-F311 HydrophobicContact CB-CD1 3.98Å; C242-F311 HydrophobicContact CB-CD2 4.26Å; C242-F311 HydrophobicContact CB-CE1 3.49Å; C242-F311 VanDerWaalsContact CB-CE1 3.49Å; C242-F311 HydrophobicContact CB-CE2 3.78Å; C242-F311 HydrophobicContact CB-CG 4.33Å; C242-F311 HydrophobicContact CB-CZ 3.37Å; C242-F311 WeakPolarHBondContact SG-CD2 3.5Å; C242-F311 WeakPolarHBondContact SG-CE2 3.45Å; C242-F311 VanDerWaalsContact SG-CZ 3.52Å; R272-F311 HydrophobicContact CB-CE1 3.82Å; R272-F311 HydrophobicContact CB-CZ 4.28Å; R272-F311 HydrophobicContact CG-CE1 4.38Å; R272-F311 VanDerWaalsContact NH1-CE2 3.26Å; N308-F311 HydrophobicContact CB-CD2 4.4Å; N308-F311 PolarHBondContact O-N 2.63Å; Y309-F311 PolarHBondContact O-N 2.73Å; F311-T313 PolarHBondContact O-N 3.22Å; F311-L327 HydrophobicContact CB-CD1 3.94Å; F311-L327 HydrophobicContact CD1-CD1 4.05Å; F311-L327 HydrophobicContact CG-CD1 4.19Å |
| 312 | C | 95.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | trans | -84.9 | 108.5 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | P302 Y309 S318 C321 | P302-C312 HydrophobicContact CG-CB 4.29Å; Y309-C312 WeakPolarHBondContact O-CB 3.24Å; Y309-C312 PolarHBondContact O-N 3.29Å; Y309-C312 VanDerWaalsContact O-N 3.11Å; C312-S318 PolarHBondContact SG-OG 3.1Å; C312-C321 HydrophobicContact CB-CB 3.8Å; C312-C321 WeakPolarHBondContact CB-SG 3.17Å; C312-C321 VanDerWaalsContact SG-CA 3.57Å; C312-C321 WeakPolarHBondContact SG-CB 3.43Å; C312-C321 CovalentContact SG-SG 2.03Å; C312-C321 PolarHBondContact SG-SG 3.26Å | ||
| 313 | T | 92.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 69.4 Ų | 69.4 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | trans | -95.1 | -26.4 | -174.1 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | W238 F311 D328 | W238-T313 HydrophobicContact CE3-CG2 4.41Å; W238-T313 HydrophobicContact CZ3-CG2 3.84Å; F311-T313 PolarHBondContact O-N 3.22Å; T313-D328 HydrophobicContact CG2-CB 4.47Å; T313-D328 WeakPolarHBondContact OG1-CB 3.38Å; T313-D328 PolarHBondContact OG1-OD2 3.16Å | ||
| 314 | D | 92.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 66 Ų | 66 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -140.9 | 113.2 | -173.9 | -174.6 | -44 | 0 | 0 | 0 | 110.6 | V316 I317 S318 | D314-V316 VanDerWaalsContact C-N 3.3Å; D314-V316 PolarHBondContact O-N 3.39Å; D314-V316 WeakPolarHBondContact OD1-CA 3.25Å; D314-V316 WeakPolarHBondContact OD1-CB 3.48Å; D314-V316 PolarHBondContact OD1-N 3.33Å; D314-I317 HydrophobicContact CB-CB 4.28Å; D314-I317 HydrophobicContact CB-CG1 4.36Å; D314-I317 PolarHBondContact OD1-N 2.66Å; D314-S318 WeakPolarHBondContact O-CB 3.39Å; D314-S318 PolarHBondContact O-N 2.87Å; D314-S318 PolarHBondContact O-OG 3.39Å | ||
| 315 | Y | 93 | Very high | 94.8 | Very high | 148 Ų | 148 | 61.1 Ų | 61.1 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21 | -178.3 | -77.6 | -100.4 | 0 | 0 | 0 | 113.8 | Q319 N320 C321 | Y315-Q319 PolarHBondContact O-N 2.96Å; Y315-N320 WeakPolarHBondContact CD1-OD1 3.22Å; Y315-N320 PolarHBondContact O-N 3.09Å; Y315-C321 VanDerWaalsContact CE1-SG 3.57Å |
| 316 | V | 92.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 61 Ų | 61 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -50.3 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | D314 Q319 | D314-V316 VanDerWaalsContact C-N 3.3Å; D314-V316 PolarHBondContact O-N 3.39Å; D314-V316 WeakPolarHBondContact OD1-CA 3.25Å; D314-V316 WeakPolarHBondContact OD1-CB 3.48Å; D314-V316 PolarHBondContact OD1-N 3.33Å; V316-Q319 PolarHBondContact O-N 3.09Å |
| 317 | I | 92.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -40.8 | -179.7 | -59.2 | -59.8 | 0 | 0 | 0 | 110.9 | D314 Q319 L323 F339 L391 P407 | D314-I317 HydrophobicContact CB-CB 4.28Å; D314-I317 HydrophobicContact CB-CG1 4.36Å; D314-I317 PolarHBondContact OD1-N 2.66Å; I317-Q319 PolarHBondContact O-N 2.86Å; I317-L323 VanDerWaalsContact O-CD1 3.22Å; I317-L323 WeakPolarHBondContact O-CD1 3.46Å; I317-F339 HydrophobicContact CG2-CZ 4.3Å; I317-L391 HydrophobicContact CD1-CD1 4.4Å; I317-L391 HydrophobicContact CD1-CD2 4.07Å; I317-L391 HydrophobicContact CG1-CD2 4Å; I317-L391 HydrophobicContact CG2-CD1 4.14Å; I317-L391 HydrophobicContact CG2-CD2 4.01Å; I317-P407 HydrophobicContact CD1-CB 3.7Å; I317-P407 HydrophobicContact CD1-CG 3.98Å |
| 318 | S | 92 | Very high | 94.9 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.5 | -179.8 | 68.3 | 0 | 0 | 0 | 0 | 114.8 | C312 D314 C321 T322 L323 | C312-S318 PolarHBondContact SG-OG 3.1Å; D314-S318 WeakPolarHBondContact O-CB 3.39Å; D314-S318 PolarHBondContact O-N 2.87Å; D314-S318 PolarHBondContact O-OG 3.39Å; S318-C321 PolarHBondContact O-N 3.45Å; S318-C321 WeakPolarHBondContact OG-CA 3.29Å; S318-C321 PolarHBondContact OG-N 3.3Å; S318-T322 PolarHBondContact O-N 3.37Å; S318-L323 PolarHBondContact O-N 3.02Å; S318-L323 VanDerWaalsContact O-N 3.1Å |
| 319 | Q | 92.9 | Very high | 95 | Very high | 110 Ų | 110 | 48.3 Ų | 48.3 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 60.5 | -176.1 | -57.3 | -179.1 | 22.4 | 0 | 0 | 112.1 | Y315 V316 I317 C321 T322 L323 | Y315-Q319 PolarHBondContact O-N 2.96Å; V316-Q319 PolarHBondContact O-N 3.09Å; I317-Q319 PolarHBondContact O-N 2.86Å; Q319-C321 VanDerWaalsContact C-N 3.34Å; Q319-C321 PolarHBondContact O-N 2.94Å; Q319-T322 WeakPolarHBondContact O-CB 3.5Å; Q319-T322 WeakPolarHBondContact O-CG2 3.19Å; Q319-T322 PolarHBondContact O-N 3.18Å; Q319-T322 PolarHBondContact O-OG1 2.94Å; Q319-L323 HydrophobicContact CB-CG 4.33Å; Q319-L323 HydrophobicContact CG-CD1 4.27Å; Q319-L323 HydrophobicContact CG-CD2 4.44Å; Q319-L323 HydrophobicContact CG-CG 4.19Å |
| 320 | N | 94.6 | Very high | 95 | Very high | 118 Ų | 118 | 44 Ų | 44 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 42.8 | -174.7 | -162.5 | 42.1 | 0 | 0 | 0 | 112.8 | Y315 T322 | Y315-N320 WeakPolarHBondContact CD1-OD1 3.22Å; Y315-N320 PolarHBondContact O-N 3.09Å; N320-T322 VanDerWaalsContact C-N 3.33Å; N320-T322 PolarHBondContact O-N 3.11Å |
| 321 | C | 94.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 40.1 | -178.7 | -53.4 | 0 | 0 | 0 | 0 | 114 | P302 C312 Y315 S318 Q319 | P302-C321 HydrophobicContact CB-CB 4.4Å; P302-C321 WeakPolarHBondContact CD-O 3.48Å; P302-C321 HydrophobicContact CG-CB 3.98Å; C312-C321 HydrophobicContact CB-CB 3.8Å; C312-C321 WeakPolarHBondContact CB-SG 3.17Å; C312-C321 VanDerWaalsContact SG-CA 3.57Å; C312-C321 WeakPolarHBondContact SG-CB 3.43Å; C312-C321 CovalentContact SG-SG 2.03Å; C312-C321 PolarHBondContact SG-SG 3.26Å; Y315-C321 VanDerWaalsContact CE1-SG 3.57Å; S318-C321 PolarHBondContact O-N 3.45Å; S318-C321 WeakPolarHBondContact OG-CA 3.29Å; S318-C321 PolarHBondContact OG-N 3.3Å; Q319-C321 VanDerWaalsContact C-N 3.34Å; Q319-C321 PolarHBondContact O-N 2.94Å |
| 322 | T | 95.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -20 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | S301 A303 S318 Q319 N320 | S301-T322 WeakPolarHBondContact CB-O 3.45Å; S301-T322 PolarHBondContact OG-O 3.13Å; S301-T322 VanDerWaalsContact OG-O 3.11Å; A303-T322 HydrophobicContact CB-CG2 4.44Å; S318-T322 PolarHBondContact O-N 3.37Å; Q319-T322 WeakPolarHBondContact O-CB 3.5Å; Q319-T322 WeakPolarHBondContact O-CG2 3.19Å; Q319-T322 PolarHBondContact O-N 3.18Å; Q319-T322 PolarHBondContact O-OG1 2.94Å; N320-T322 VanDerWaalsContact C-N 3.33Å; N320-T322 PolarHBondContact O-N 3.11Å |
| 323 | L | 94.9 | Very high | 95 | Very high | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | trans | -69.3 | 136.9 | 175.2 | -65.1 | -173.1 | 0 | 0 | 0 | 112.3 | S301 I317 S318 Q319 S351 | S301-L323 VanDerWaalsContact CB-O 3.3Å; S301-L323 WeakPolarHBondContact CB-O 3.27Å; I317-L323 VanDerWaalsContact O-CD1 3.22Å; I317-L323 WeakPolarHBondContact O-CD1 3.46Å; S318-L323 PolarHBondContact O-N 3.02Å; S318-L323 VanDerWaalsContact O-N 3.1Å; Q319-L323 HydrophobicContact CB-CG 4.33Å; Q319-L323 HydrophobicContact CG-CD1 4.27Å; Q319-L323 HydrophobicContact CG-CD2 4.44Å; Q319-L323 HydrophobicContact CG-CG 4.19Å; L323-S351 WeakPolarHBondContact CD2-OG 3.27Å | ||
| 324 | A | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | trans | -120 | 163.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A348 S349 | A324-A348 VanDerWaalsContact O-CA 3.27Å; A324-A348 WeakPolarHBondContact O-CA 3.47Å; A324-A348 WeakPolarHBondContact O-CB 3.49Å; A324-S349 PolarHBondContact N-OG 2.86Å; A324-S349 PolarHBondContact O-N 3.09Å; A324-S349 VanDerWaalsContact O-N 3.11Å | ||
| 325 | G | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 81.4 | 5.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116 | F299 S341 | F299-G325 PolarHBondContact O-N 3.33Å; G325-S341 WeakPolarHBondContact O-CB 3.25Å |
| 326 | V | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | F339 I340 F345 I352 I409 | V326-F339 HydrophobicContact CB-CD1 4.23Å; V326-F339 HydrophobicContact CG2-CD1 4.34Å; V326-I340 CarbonylContact C-O 3.57Å; V326-I340 WeakPolarHBondContact CA-O 3.29Å; V326-F345 HydrophobicContact CG1-CD1 4.15Å; V326-F345 HydrophobicContact CG1-CE1 4.18Å; V326-I352 HydrophobicContact CB-CD1 4.46Å; V326-I352 HydrophobicContact CG1-CD1 3.76Å; V326-I352 HydrophobicContact CG2-CD1 3.81Å; V326-I409 HydrophobicContact CB-CD1 4.1Å; V326-I409 HydrophobicContact CG1-CD1 3.92Å; V326-I409 HydrophobicContact CG2-CD1 3.83Å |
| 327 | L | 97.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.8 | -179.4 | -178.1 | 70.8 | 0 | 0 | 0 | 110 | W238 R272 F311 I329 F339 I340 | W238-L327 HydrophobicContact CH2-CD1 3.57Å; W238-L327 HydrophobicContact CH2-CD2 4.47Å; W238-L327 HydrophobicContact CH2-CG 3.99Å; W238-L327 HydrophobicContact CZ2-CD1 4.15Å; W238-L327 HydrophobicContact CZ2-CD2 4.39Å; W238-L327 HydrophobicContact CZ2-CG 4.39Å; W238-L327 HydrophobicContact CZ3-CD1 4.25Å; R272-L327 HydrophobicContact CG-CD2 4.01Å; F311-L327 HydrophobicContact CB-CD1 3.94Å; F311-L327 HydrophobicContact CD1-CD1 4.05Å; F311-L327 HydrophobicContact CG-CD1 4.19Å; L327-I329 HydrophobicContact CD2-CG2 3.77Å; L327-I329 HydrophobicContact CG-CG2 3.87Å; L327-I329 PolarHBondContact O-N 2.99Å; L327-F339 CarbonylContact O-C 3.51Å; L327-F339 VanDerWaalsContact O-CA 3.27Å; L327-F339 WeakPolarHBondContact O-CA 3.46Å; L327-I340 PolarHBondContact N-O 2.97Å; L327-I340 PolarHBondContact O-N 2.99Å |
| 328 | D | 97.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.3 | 172.7 | 177.9 | 5.7 | 0 | 0 | 0 | 110.3 | W238 T313 S330 F339 | W238-D328 WeakPolarHBondContact CH2-O 3.36Å; T313-D328 HydrophobicContact CG2-CB 4.47Å; T313-D328 WeakPolarHBondContact OG1-CB 3.38Å; T313-D328 PolarHBondContact OG1-OD2 3.16Å; D328-S330 WeakPolarHBondContact OD1-CB 3.46Å; D328-S330 PolarHBondContact OD1-N 3.04Å; D328-S330 PolarHBondContact OD1-OG 2.77Å; D328-S330 PolarHBondContact OD2-OG 3.39Å; D328-F339 HydrophobicContact CB-CD1 4.13Å; D328-F339 HydrophobicContact CB-CE1 3.6Å; D328-F339 HydrophobicContact CB-CE2 4.19Å; D328-F339 HydrophobicContact CB-CZ 3.62Å |
| 329 | I | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | trans | -107.1 | 22.2 | 179.1 | 64.3 | 159.5 | 0 | 0 | 0 | 112.5 | I270 L327 A331 C332 K333 V338 I340 | I270-I329 WeakPolarHBondContact O-CG2 3.22Å; L327-I329 HydrophobicContact CD2-CG2 3.77Å; L327-I329 HydrophobicContact CG-CG2 3.87Å; L327-I329 PolarHBondContact O-N 2.99Å; I329-A331 PolarHBondContact O-N 2.83Å; I329-C332 PolarHBondContact O-N 3.05Å; I329-C332 VanDerWaalsContact O-N 3.15Å; I329-C332 PolarHBondContact O-SG 3.39Å; I329-K333 HydrophobicContact CD1-CD 4.4Å; I329-K333 HydrophobicContact CD1-CG 3.92Å; I329-K333 HydrophobicContact CG1-CG 4.12Å; I329-K333 WeakPolarHBondContact O-CG 3.47Å; I329-K333 PolarHBondContact O-N 3.2Å; I329-V338 HydrophobicContact CD1-CB 4.5Å; I329-V338 HydrophobicContact CD1-CG1 3.89Å; I329-V338 HydrophobicContact CG1-CB 4.02Å; I329-V338 HydrophobicContact CG1-CG1 3.83Å; I329-V338 WeakPolarHBondContact CG1-O 3.1Å; I329-V338 PolarHBondContact N-O 2.81Å; I329-I340 HydrophobicContact CD1-CD1 3.83Å; I329-I340 HydrophobicContact CD1-CG1 3.48Å; I329-I340 VanDerWaalsContact CD1-CG1 3.48Å; I329-I340 HydrophobicContact CG1-CG1 3.93Å; I329-I340 HydrophobicContact CG2-CG1 4.11Å | ||
| 330 | S | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -55.9 | -35.5 | -178.8 | 59 | 0 | 0 | 0 | 0 | 113.2 | D328 C332 K333 A334 G335 R336 | D328-S330 WeakPolarHBondContact OD1-CB 3.46Å; D328-S330 PolarHBondContact OD1-N 3.04Å; D328-S330 PolarHBondContact OD1-OG 2.77Å; D328-S330 PolarHBondContact OD2-OG 3.39Å; S330-C332 VanDerWaalsContact C-N 3.3Å; S330-C332 PolarHBondContact O-N 3.35Å; S330-K333 CarbonylContact O-C 3.48Å; S330-K333 PolarHBondContact O-N 3.05Å; S330-A334 PolarHBondContact O-N 3.11Å; S330-G335 WeakPolarHBondContact O-CA 3.23Å; S330-G335 PolarHBondContact O-N 2.8Å; S330-R336 WeakPolarHBondContact CA-O 3.46Å; S330-R336 WeakPolarHBondContact CB-O 3.4Å |
| 331 | A | 95.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 29 Ų | 29 | 42% | 0.421 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -55.3 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y237 I329 | Y237-A331 HydrophobicContact CD1-CB 4.17Å; Y237-A331 HydrophobicContact CG-CB 4.38Å; I329-A331 PolarHBondContact O-N 2.83Å |
| 332 | C | 95.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -93.4 | -1.6 | 178 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | Y237 C271 I329 S330 | Y237-C332 HydrophobicContact CD1-CB 4.21Å; Y237-C332 HydrophobicContact CD2-CB 3.79Å; Y237-C332 HydrophobicContact CE1-CB 3.88Å; Y237-C332 HydrophobicContact CE2-CB 3.45Å; Y237-C332 VanDerWaalsContact CE2-CB 3.45Å; Y237-C332 HydrophobicContact CG-CB 4.18Å; C271-C332 HydrophobicContact CB-CB 3.56Å; C271-C332 WeakPolarHBondContact CB-SG 3.39Å; C271-C332 WeakPolarHBondContact SG-CB 3.28Å; C271-C332 CovalentContact SG-SG 2Å; C271-C332 PolarHBondContact SG-SG 2.89Å; I329-C332 PolarHBondContact O-N 3.05Å; I329-C332 VanDerWaalsContact O-N 3.15Å; I329-C332 PolarHBondContact O-SG 3.39Å; S330-C332 VanDerWaalsContact C-N 3.3Å; S330-C332 PolarHBondContact O-N 3.35Å |
| 333 | K | 96.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 25.7 Ų | 25.7 | 29% | 0.291 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -112.2 | 31.5 | 176.6 | -59 | -59.9 | 177.2 | -177.9 | 0 | 111.9 | I329 S330 G335 R336 V338 | I329-K333 HydrophobicContact CD1-CD 4.4Å; I329-K333 HydrophobicContact CD1-CG 3.92Å; I329-K333 HydrophobicContact CG1-CG 4.12Å; I329-K333 WeakPolarHBondContact O-CG 3.47Å; I329-K333 PolarHBondContact O-N 3.2Å; S330-K333 CarbonylContact O-C 3.48Å; S330-K333 PolarHBondContact O-N 3.05Å; K333-G335 VanDerWaalsContact C-N 3.27Å; K333-G335 PolarHBondContact O-N 3.34Å; K333-R336 HydrophobicContact CB-CB 4.42Å; K333-R336 WeakPolarHBondContact O-CB 3.26Å; K333-R336 PolarHBondContact O-N 2.91Å; K333-R336 VanDerWaalsContact O-N 3.13Å; K333-R336 PolarHBondContact O-NE 3.36Å; K333-R336 PolarHBondContact O-NH1 2.89Å; K333-R336 PolarHBondContact O-NH2 3.25Å; K333-V338 HydrophobicContact CB-CB 4.48Å; K333-V338 HydrophobicContact CB-CG2 4.17Å; K333-V338 HydrophobicContact CG-CB 4.18Å; K333-V338 HydrophobicContact CG-CG2 4.2Å |
| 334 | A | 93.4 | Very high | 97 | Very high | 73 Ų | 73 | 24.7 Ų | 24.7 | 60% | 0.603 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S330 R336 | S330-A334 PolarHBondContact O-N 3.11Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.13Å |
| 335 | G | 94.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 37% | 0.371 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -5.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L147 S330 K333 | L147-G335 VanDerWaalsContact CD2-O 3.29Å; L147-G335 WeakPolarHBondContact CD2-O 3.07Å; S330-G335 WeakPolarHBondContact O-CA 3.23Å; S330-G335 PolarHBondContact O-N 2.8Å; K333-G335 VanDerWaalsContact C-N 3.27Å; K333-G335 PolarHBondContact O-N 3.34Å |
| 336 | R | 96.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 25 Ų | 25 | 42% | 0.419 | 15% | 0.153 | S | C | . | . | trans | -62.5 | 138.9 | 177.1 | -69.5 | -178.3 | -68.2 | -80.6 | 2.5 | 109.5 | A143 L147 S330 K333 A334 V338 | A143-R336 HydrophobicContact CB-CG 4.42Å; L147-R336 HydrophobicContact CD1-CG 4.11Å; S330-R336 WeakPolarHBondContact CA-O 3.46Å; S330-R336 WeakPolarHBondContact CB-O 3.4Å; K333-R336 HydrophobicContact CB-CB 4.42Å; K333-R336 WeakPolarHBondContact O-CB 3.26Å; K333-R336 PolarHBondContact O-N 2.91Å; K333-R336 VanDerWaalsContact O-N 3.13Å; K333-R336 PolarHBondContact O-NE 3.36Å; K333-R336 PolarHBondContact O-NH1 2.89Å; K333-R336 PolarHBondContact O-NH2 3.25Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.13Å; R336-V338 HydrophobicContact CB-CG2 4.1Å; R336-V338 PolarHBondContact O-N 3.45Å | ||
| 337 | P | 96.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | trans | -79.3 | 57.4 | -169 | 35.4 | -39.8 | 0 | 0 | 0 | 112.5 | A146 L390 L391 | A146-P337 HydrophobicContact CB-CB 4.18Å; A146-P337 HydrophobicContact CB-CG 3.77Å; P337-L390 HydrophobicContact CG-CD1 4.07Å; P337-L390 HydrophobicContact CG-CG 4.25Å; P337-L390 WeakPolarHBondContact O-CD1 3.29Å; P337-L391 HydrophobicContact CB-CB 4.17Å; P337-L391 PolarHBondContact O-N 3.37Å | ||
| 338 | V | 98.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 26 Ų | 26 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.3 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | I329 K333 R336 V388 N389 L390 | I329-V338 HydrophobicContact CD1-CB 4.5Å; I329-V338 HydrophobicContact CD1-CG1 3.89Å; I329-V338 HydrophobicContact CG1-CB 4.02Å; I329-V338 HydrophobicContact CG1-CG1 3.83Å; I329-V338 WeakPolarHBondContact CG1-O 3.1Å; I329-V338 PolarHBondContact N-O 2.81Å; K333-V338 HydrophobicContact CB-CB 4.48Å; K333-V338 HydrophobicContact CB-CG2 4.17Å; K333-V338 HydrophobicContact CG-CB 4.18Å; K333-V338 HydrophobicContact CG-CG2 4.2Å; R336-V338 HydrophobicContact CB-CG2 4.1Å; R336-V338 PolarHBondContact O-N 3.45Å; V338-V388 HydrophobicContact CG1-CG1 4.11Å; V338-N389 WeakPolarHBondContact CA-O 3.47Å; V338-L390 HydrophobicContact CG2-CD1 4Å |
| 339 | F | 98.3 | Very high | 97 | Very high | 15 Ų | 15 | 26.4 Ų | 26.4 | 7% | 0.066 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.3 | 176.6 | -78.5 | -108.5 | 0 | 0 | 0 | 110.3 | I317 V326 L327 D328 N389 L391 I409 | I317-F339 HydrophobicContact CG2-CZ 4.3Å; V326-F339 HydrophobicContact CB-CD1 4.23Å; V326-F339 HydrophobicContact CG2-CD1 4.34Å; L327-F339 CarbonylContact O-C 3.51Å; L327-F339 VanDerWaalsContact O-CA 3.27Å; L327-F339 WeakPolarHBondContact O-CA 3.46Å; D328-F339 HydrophobicContact CB-CD1 4.13Å; D328-F339 HydrophobicContact CB-CE1 3.6Å; D328-F339 HydrophobicContact CB-CE2 4.19Å; D328-F339 HydrophobicContact CB-CZ 3.62Å; F339-N389 HydrophobicContact CB-CB 4.13Å; F339-N389 PolarHBondContact N-O 2.91Å; F339-N389 WeakPolarHBondContact O-CA 3.32Å; F339-N389 WeakPolarHBondContact O-CB 3.39Å; F339-N389 PolarHBondContact O-N 2.91Å; F339-N389 PolarHBondContact O-ND2 2.93Å; F339-L391 HydrophobicContact CD2-CB 3.76Å; F339-L391 HydrophobicContact CE2-CB 3.51Å; F339-L391 HydrophobicContact CE2-CD2 3.71Å; F339-L391 HydrophobicContact CE2-CG 4.21Å; F339-L391 HydrophobicContact CZ-CB 4.42Å; F339-L391 HydrophobicContact CZ-CD2 4.01Å; F339-I409 HydrophobicContact CB-CG2 4.24Å; F339-I409 HydrophobicContact CD1-CD1 3.92Å; F339-I409 HydrophobicContact CE1-CD1 4.29Å; F339-I409 HydrophobicContact CG-CD1 4.33Å |
| 340 | I | 98.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.3 | 172.3 | -59.8 | -59.2 | 0 | 0 | 0 | 109.8 | I270 V326 L327 I329 L386 Q387 V388 | I270-I340 HydrophobicContact CG2-CG1 4.39Å; I270-I340 HydrophobicContact CG2-CG2 3.85Å; V326-I340 CarbonylContact C-O 3.57Å; V326-I340 WeakPolarHBondContact CA-O 3.29Å; L327-I340 PolarHBondContact N-O 2.97Å; L327-I340 PolarHBondContact O-N 2.99Å; I329-I340 HydrophobicContact CD1-CD1 3.83Å; I329-I340 HydrophobicContact CD1-CG1 3.48Å; I329-I340 VanDerWaalsContact CD1-CG1 3.48Å; I329-I340 HydrophobicContact CG1-CG1 3.93Å; I329-I340 HydrophobicContact CG2-CG1 4.11Å; I340-L386 HydrophobicContact CG2-CD2 4.17Å; I340-Q387 WeakPolarHBondContact CA-O 3.48Å; I340-V388 HydrophobicContact CD1-CG2 4.12Å |
| 341 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 179.5 | 170.4 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | G325 F345 Q387 N389 | G325-S341 WeakPolarHBondContact O-CB 3.25Å; S341-F345 VanDerWaalsContact OG-CD1 3.29Å; S341-F345 WeakPolarHBondContact OG-CD1 3.49Å; S341-F345 WeakPolarHBondContact OG-CE1 3.36Å; S341-Q387 PolarHBondContact N-O 3.23Å; S341-Q387 PolarHBondContact O-N 3.37Å; S341-Q387 WeakPolarHBondContact OG-CB 3.4Å; S341-Q387 PolarHBondContact OG-NE2 2.94Å; S341-N389 PolarHBondContact OG-ND2 3.4Å |
| 342 | L | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.5 | 157.8 | 159.9 | -63.6 | 178.7 | 0 | 0 | 0 | 110.1 | F299 F345 L346 | F299-L342 HydrophobicContact CD2-CD1 4.25Å; F299-L342 HydrophobicContact CD2-CG 4.38Å; F299-L342 HydrophobicContact CE2-CD1 4.06Å; F299-L342 HydrophobicContact CE2-CD2 3.95Å; F299-L342 HydrophobicContact CE2-CG 3.98Å; F299-L342 HydrophobicContact CZ-CD2 4.04Å; F299-L342 HydrophobicContact CZ-CG 4.31Å; L342-F345 WeakPolarHBondContact O-CA 3.47Å; L342-F345 PolarHBondContact O-N 2.93Å; L342-F345 VanDerWaalsContact O-N 3.11Å; L342-L346 HydrophobicContact CB-CB 3.83Å; L342-L346 HydrophobicContact CD1-CB 4.34Å; L342-L346 HydrophobicContact CD1-CD2 4.08Å; L342-L346 HydrophobicContact CD1-CG 4.27Å |
| 343 | P | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -54.4 | 141.9 | 177.8 | -21 | 29 | 0 | 0 | 0 | 113.3 | F345 L346 H366 R385 W414 | P343-F345 PolarHBondContact O-N 2.84Å; P343-F345 VanDerWaalsContact O-N 3.1Å; P343-L346 WeakPolarHBondContact O-CB 3.27Å; P343-L346 PolarHBondContact O-N 2.82Å; P343-H366 HydrophobicContact CB-CB 3.79Å; P343-H366 WeakPolarHBondContact CD-O 3.41Å; P343-H366 HydrophobicContact CG-CB 3.99Å; P343-H366 PolarHBondContact O-ND1 2.76Å; P343-R385 HydrophobicContact CG-CB 3.86Å; P343-W414 HydrophobicContact CB-CB 3.89Å; P343-W414 HydrophobicContact CB-CD2 3.76Å; P343-W414 HydrophobicContact CB-CE3 3.91Å; P343-W414 HydrophobicContact CB-CG 3.77Å; P343-W414 HydrophobicContact CG-CB 4.12Å; P343-W414 HydrophobicContact CG-CD2 4.05Å; P343-W414 HydrophobicContact CG-CE3 3.7Å; P343-W414 HydrophobicContact CG-CG 4.26Å; P343-W414 HydrophobicContact CG-CZ3 4.38Å |
| 344 | H | 98.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | 52.7 | 27 | -174.1 | -67 | -101.3 | 0 | 0 | 0 | 114.1 | F68 Q87 L346 L359 S360 P361 H366 W414 | F68-H344 AromaticContact CE1-CE1 3.71Å; F68-H344 AromaticContact CE1-NE2 3.97Å; F68-H344 AromaticContact CZ-NE2 3.96Å; Q87-H344 PolarHBondContact OE1-NE2 2.83Å; H344-L346 VanDerWaalsContact C-N 3.26Å; H344-L346 PolarHBondContact O-N 3.12Å; H344-L359 HydrophobicContact CB-CB 4.38Å; H344-L359 WeakPolarHBondContact ND1-CA 3.47Å; H344-S360 PolarHBondContact ND1-N 3.24Å; H344-P361 HydrophobicContact CB-CB 4.24Å; H344-H366 AromaticContact CD2-CE1 3.15Å; H344-H366 PolarHBondContact CD2-CE1 3.06Å; H344-H366 AromaticContact CD2-ND1 3.91Å; H344-H366 AromaticContact CD2-NE2 3.37Å; H344-H366 PolarHBondContact CD2-NE2 3.07Å; H344-H366 AromaticContact CG-CE1 3.55Å; H344-W414 AromaticContact CD2-NE1 3.94Å; H344-W414 AromaticContact NE2-NE1 3.56Å |
| 345 | F | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | 55.9 | 37.8 | -174 | -61 | -58.1 | 0 | 0 | 0 | 113.4 | V326 S341 L342 P343 H347 A348 I352 L353 V356 L359 Q387 N389 I409 P411 | V326-F345 HydrophobicContact CG1-CD1 4.15Å; V326-F345 HydrophobicContact CG1-CE1 4.18Å; S341-F345 VanDerWaalsContact OG-CD1 3.29Å; S341-F345 WeakPolarHBondContact OG-CD1 3.49Å; S341-F345 WeakPolarHBondContact OG-CE1 3.36Å; L342-F345 WeakPolarHBondContact O-CA 3.47Å; L342-F345 PolarHBondContact O-N 2.93Å; L342-F345 VanDerWaalsContact O-N 3.11Å; P343-F345 PolarHBondContact O-N 2.84Å; P343-F345 VanDerWaalsContact O-N 3.1Å; F345-H347 PolarHBondContact O-N 3.29Å; F345-A348 HydrophobicContact CB-CB 3.71Å; F345-A348 VanDerWaalsContact O-CB 3.25Å; F345-A348 WeakPolarHBondContact O-CB 3.28Å; F345-A348 PolarHBondContact O-N 2.93Å; F345-I352 HydrophobicContact CD1-CG2 3.93Å; F345-I352 HydrophobicContact CD2-CG2 3.84Å; F345-I352 HydrophobicContact CE1-CG2 3.96Å; F345-I352 HydrophobicContact CE2-CG2 3.89Å; F345-I352 HydrophobicContact CG-CG2 3.89Å; F345-I352 HydrophobicContact CZ-CG2 3.96Å; F345-L353 HydrophobicContact CB-CD1 4.37Å; F345-L353 HydrophobicContact CB-CG 4.29Å; F345-V356 HydrophobicContact CE2-CG2 4.45Å; F345-L359 HydrophobicContact CD2-CD1 3.27Å; F345-L359 HydrophobicContact CE2-CD1 3.59Å; F345-L359 HydrophobicContact CG-CD1 4.39Å; F345-Q387 VanDerWaalsContact CE1-NE2 3.34Å; F345-N389 WeakPolarHBondContact CE1-OD1 3.19Å; F345-N389 VanDerWaalsContact CZ-OD1 3.28Å; F345-N389 WeakPolarHBondContact CZ-OD1 3.49Å; F345-I409 HydrophobicContact CE1-CG2 3.97Å; F345-I409 HydrophobicContact CZ-CB 4.43Å; F345-I409 HydrophobicContact CZ-CG2 3.87Å; F345-P411 HydrophobicContact CE2-CB 4.24Å; F345-P411 HydrophobicContact CE2-CG 4.19Å; F345-P411 HydrophobicContact CZ-CB 4.06Å; F345-P411 HydrophobicContact CZ-CG 4.39Å |
| 346 | L | 97.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 130.3 | 171.9 | 178.3 | 68.7 | 0 | 0 | 0 | 110.2 | L342 P343 H344 A348 P361 E363 H366 | L342-L346 HydrophobicContact CB-CB 3.83Å; L342-L346 HydrophobicContact CD1-CB 4.34Å; L342-L346 HydrophobicContact CD1-CD2 4.08Å; L342-L346 HydrophobicContact CD1-CG 4.27Å; P343-L346 WeakPolarHBondContact O-CB 3.27Å; P343-L346 PolarHBondContact O-N 2.82Å; H344-L346 VanDerWaalsContact C-N 3.26Å; H344-L346 PolarHBondContact O-N 3.12Å; L346-A348 PolarHBondContact O-N 3.22Å; L346-P361 HydrophobicContact CB-CB 4.21Å; L346-P361 HydrophobicContact CD1-CB 4.1Å; L346-E363 HydrophobicContact CD1-CG 3.9Å; L346-E363 HydrophobicContact CD2-CG 4.43Å; L346-H366 HydrophobicContact CB-CB 4.15Å; L346-H366 HydrophobicContact CD2-CB 3.85Å |
| 347 | H | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 21% | 0.208 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 8.8 | -175.2 | -52.2 | -42 | 0 | 0 | 0 | 117.1 | R296 F345 E363 | R296-H347 HydrophobicContact CB-CB 4.34Å; R296-H347 HydrophobicContact CG-CB 3.96Å; F345-H347 PolarHBondContact O-N 3.29Å; H347-E363 IonicContact CE1-OE1 3.89Å; H347-E363 PolarHBondContact CE1-OE1 3.28Å |
| 348 | A | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 30 Ų | 30 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | trans | -78.9 | 159.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A324 F345 L346 I352 L353 | A324-A348 VanDerWaalsContact O-CA 3.27Å; A324-A348 WeakPolarHBondContact O-CA 3.47Å; A324-A348 WeakPolarHBondContact O-CB 3.49Å; F345-A348 HydrophobicContact CB-CB 3.71Å; F345-A348 VanDerWaalsContact O-CB 3.25Å; F345-A348 WeakPolarHBondContact O-CB 3.28Å; F345-A348 PolarHBondContact O-N 2.93Å; L346-A348 PolarHBondContact O-N 3.22Å; A348-I352 HydrophobicContact CB-CD1 4.2Å; A348-L353 HydrophobicContact CB-CD1 4.5Å | ||
| 349 | S | 95.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | trans | -59.1 | 138 | 172.9 | -60.9 | 0 | 0 | 0 | 0 | 111 | A324 S351 I352 | A324-S349 PolarHBondContact N-OG 2.86Å; A324-S349 PolarHBondContact O-N 3.09Å; A324-S349 VanDerWaalsContact O-N 3.11Å; S349-S351 PolarHBondContact O-N 2.86Å; S349-S351 VanDerWaalsContact O-N 3.09Å; S349-I352 WeakPolarHBondContact O-CB 3.47Å; S349-I352 PolarHBondContact O-N 2.88Å | ||
| 350 | S | 92.9 | Very high | 96 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 57% | 0.566 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55 | -33 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | I352 L353 H354 | S350-I352 PolarHBondContact O-N 2.91Å; S350-L353 PolarHBondContact O-N 3.35Å; S350-H354 PolarHBondContact O-CD2 3.25Å; S350-H354 PolarHBondContact O-N 2.91Å |
| 351 | S | 91.8 | Very high | 96 | Very high | 39 Ų | 39 | 36 Ų | 36 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.3 | -30 | 176 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | L323 S349 | L323-S351 WeakPolarHBondContact CD2-OG 3.27Å; S349-S351 PolarHBondContact O-N 2.86Å; S349-S351 VanDerWaalsContact O-N 3.09Å |
| 352 | I | 93.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.5 | -37.4 | 178.3 | -62 | 174.3 | 0 | 0 | 0 | 110.4 | V326 F345 A348 S349 S350 H354 I409 | V326-I352 HydrophobicContact CB-CD1 4.46Å; V326-I352 HydrophobicContact CG1-CD1 3.76Å; V326-I352 HydrophobicContact CG2-CD1 3.81Å; F345-I352 HydrophobicContact CD1-CG2 3.93Å; F345-I352 HydrophobicContact CD2-CG2 3.84Å; F345-I352 HydrophobicContact CE1-CG2 3.96Å; F345-I352 HydrophobicContact CE2-CG2 3.89Å; F345-I352 HydrophobicContact CG-CG2 3.89Å; F345-I352 HydrophobicContact CZ-CG2 3.96Å; A348-I352 HydrophobicContact CB-CD1 4.2Å; S349-I352 WeakPolarHBondContact O-CB 3.47Å; S349-I352 PolarHBondContact O-N 2.88Å; S350-I352 PolarHBondContact O-N 2.91Å; I352-H354 VanDerWaalsContact C-N 3.29Å; I352-H354 PolarHBondContact O-N 3.11Å; I352-I409 HydrophobicContact CD1-CD1 4.47Å |
| 353 | L | 93.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -24.3 | 178.3 | -69.7 | 97.3 | 0 | 0 | 0 | 112.6 | F345 A348 S350 D355 P361 | F345-L353 HydrophobicContact CB-CD1 4.37Å; F345-L353 HydrophobicContact CB-CG 4.29Å; A348-L353 HydrophobicContact CB-CD1 4.5Å; S350-L353 PolarHBondContact O-N 3.35Å; L353-D355 VanDerWaalsContact C-N 3.29Å; L353-D355 PolarHBondContact O-N 2.75Å; L353-P361 HydrophobicContact CD2-CG 4.01Å |
| 354 | H | 92.9 | Very high | 95.5 | Very high | 125 Ų | 125 | 52.6 Ų | 52.6 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13 | -176.3 | -66.2 | -175.7 | 0 | 0 | 0 | 114 | H82 S350 I352 | H82-H354 PolarHBondContact CE1-O 2.77Å; H82-H354 PolarHBondContact ND1-O 2.94Å; S350-H354 PolarHBondContact O-CD2 3.25Å; S350-H354 PolarHBondContact O-N 2.91Å; I352-H354 VanDerWaalsContact C-N 3.29Å; I352-H354 PolarHBondContact O-N 3.11Å |
| 355 | D | 92.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9 | -177.7 | -68.4 | -26.7 | 0 | 0 | 0 | 113.4 | L353 K406 Y408 | L353-D355 VanDerWaalsContact C-N 3.29Å; L353-D355 PolarHBondContact O-N 2.75Å; D355-K406 WeakPolarHBondContact OD1-CE 3.38Å; D355-K406 IonicContact OD1-NZ 3.71Å; D355-K406 PolarHBondContact OD1-NZ 2.86Å; D355-Y408 HydrophobicContact CB-CD2 4.08Å; D355-Y408 HydrophobicContact CB-CG 4.22Å; D355-Y408 VanDerWaalsContact OD2-CB 3.27Å; D355-Y408 WeakPolarHBondContact OD2-CB 3.49Å |
| 356 | V | 95.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -141 | 151.9 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | P83 L85 F345 L359 Y408 P411 | P83-V356 HydrophobicContact CG-CG1 4.38Å; L85-V356 HydrophobicContact CD1-CB 4.04Å; L85-V356 HydrophobicContact CD1-CG1 4.23Å; L85-V356 HydrophobicContact CD1-CG2 4.36Å; F345-V356 HydrophobicContact CE2-CG2 4.45Å; V356-L359 HydrophobicContact CG2-CD1 3.44Å; V356-L359 VanDerWaalsContact CG2-CD1 3.44Å; V356-L359 HydrophobicContact CG2-CG 3.9Å; V356-Y408 HydrophobicContact CG1-CE2 4.5Å; V356-P411 HydrophobicContact CG2-CG 4.5Å |
| 357 | E | 96.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -107.6 | 150.4 | 176.4 | -68.7 | 176.5 | -137 | 0 | 0 | 110.5 | P83 K84 L85 | P83-E357 PolarHBondContact O-N 3.24Å; K84-E357 HydrophobicContact CB-CB 4.49Å; K84-E357 WeakPolarHBondContact CE-OE2 3.3Å; K84-E357 HydrophobicContact CG-CB 3.9Å; K84-E357 HydrophobicContact CG-CG 4.46Å; L85-E357 PolarHBondContact N-O 3.01Å |
| 358 | G | 96.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 97.6 | 7.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 359 | L | 97.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | trans | -89.1 | 139.5 | 174.2 | -57.1 | -175.2 | 0 | 0 | 0 | 112.1 | F68 L85 H344 F345 V356 P411 | F68-L359 HydrophobicContact CD1-CD2 4.17Å; F68-L359 HydrophobicContact CE1-CD2 3.54Å; F68-L359 HydrophobicContact CZ-CD2 3.81Å; L85-L359 HydrophobicContact CD1-CD2 4.43Å; H344-L359 HydrophobicContact CB-CB 4.38Å; H344-L359 WeakPolarHBondContact ND1-CA 3.47Å; F345-L359 HydrophobicContact CD2-CD1 3.27Å; F345-L359 HydrophobicContact CE2-CD1 3.59Å; F345-L359 HydrophobicContact CG-CD1 4.39Å; V356-L359 HydrophobicContact CG2-CD1 3.44Å; V356-L359 VanDerWaalsContact CG2-CD1 3.44Å; V356-L359 HydrophobicContact CG2-CG 3.9Å; L359-P411 HydrophobicContact CD2-CG 4.46Å | ||
| 360 | S | 96.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 55 Ų | 55 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | trans | -138.2 | 82.6 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | H344 N362 H366 | H344-S360 PolarHBondContact ND1-N 3.24Å; S360-N362 PolarHBondContact O-N 2.93Å; S360-H366 PolarHBondContact O-CE1 2.91Å; S360-H366 VanDerWaalsContact O-CE1 3.31Å | ||
| 361 | P | 97.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | trans | -63.8 | 132.8 | 179.3 | 26.6 | -34.5 | 0 | 0 | 0 | 112 | H344 L346 L353 | H344-P361 HydrophobicContact CB-CB 4.24Å; L346-P361 HydrophobicContact CB-CB 4.21Å; L346-P361 HydrophobicContact CD1-CB 4.1Å; L353-P361 HydrophobicContact CD2-CG 4.01Å | ||
| 362 | N | 97.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | trans | -136.3 | 129.8 | 177.5 | 179.1 | -72.8 | 0 | 0 | 0 | 109.3 | S360 E364 E365 H366 | S360-N362 PolarHBondContact O-N 2.93Å; N362-E364 WeakPolarHBondContact OD1-CB 3.28Å; N362-E364 PolarHBondContact OD1-N 2.64Å; N362-E365 HydrophobicContact CB-CB 4.07Å; N362-E365 PolarHBondContact OD1-N 3.06Å; N362-H366 PolarHBondContact N-ND1 3.01Å; N362-H366 VanDerWaalsContact N-ND1 3.17Å; N362-H366 WeakPolarHBondContact O-CB 3.41Å; N362-H366 PolarHBondContact O-N 2.92Å | ||
| 363 | E | 95.4 | Very high | 96.3 | Very high | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | -177.1 | -75 | -176.5 | 178.9 | 0 | 0 | 112.4 | L346 H347 E365 H366 E367 | L346-E363 HydrophobicContact CD1-CG 3.9Å; L346-E363 HydrophobicContact CD2-CG 4.43Å; H347-E363 IonicContact CE1-OE1 3.89Å; H347-E363 PolarHBondContact CE1-OE1 3.28Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 3.37Å; E363-H366 PolarHBondContact O-N 3.45Å; E363-E367 WeakPolarHBondContact O-CB 3.13Å; E363-E367 WeakPolarHBondContact O-CG 3.34Å; E363-E367 PolarHBondContact O-N 3.47Å |
| 364 | E | 93.7 | Very high | 96.5 | Very high | 160 Ų | 160 | 47.9 Ų | 47.9 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | -178.2 | -172.8 | 176.1 | -175.4 | 0 | 0 | 112.2 | N362 R385 | N362-E364 WeakPolarHBondContact OD1-CB 3.28Å; N362-E364 PolarHBondContact OD1-N 2.64Å; E364-R385 PolarHBondContact O-NH1 2.9Å; E364-R385 PolarHBondContact O-NH2 3.43Å |
| 365 | E | 96.7 | Very high | 96.5 | Very high | 84 Ų | 84 | 44 Ų | 44 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -81 | -31.8 | -179.5 | -165.2 | 177.8 | 178.4 | 0 | 0 | 113.2 | N362 E363 R385 | N362-E365 HydrophobicContact CB-CB 4.07Å; N362-E365 PolarHBondContact OD1-N 3.06Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 3.37Å; E365-R385 VanDerWaalsContact C-CZ 3.5Å; E365-R385 WeakPolarHBondContact O-CD 3.39Å; E365-R385 PolarHBondContact O-NE 3.14Å; E365-R385 PolarHBondContact O-NH1 3.31Å; E365-R385 PolarHBondContact O-NH2 3.25Å |
| 366 | H | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -116.1 | -4.8 | -167.5 | -53 | 154.5 | 0 | 0 | 0 | 114.8 | P343 H344 L346 S360 N362 E363 | P343-H366 HydrophobicContact CB-CB 3.79Å; P343-H366 WeakPolarHBondContact CD-O 3.41Å; P343-H366 HydrophobicContact CG-CB 3.99Å; P343-H366 PolarHBondContact O-ND1 2.76Å; H344-H366 AromaticContact CD2-CE1 3.15Å; H344-H366 PolarHBondContact CD2-CE1 3.06Å; H344-H366 AromaticContact CD2-ND1 3.91Å; H344-H366 AromaticContact CD2-NE2 3.37Å; H344-H366 PolarHBondContact CD2-NE2 3.07Å; H344-H366 AromaticContact CG-CE1 3.55Å; L346-H366 HydrophobicContact CB-CB 4.15Å; L346-H366 HydrophobicContact CD2-CB 3.85Å; S360-H366 PolarHBondContact O-CE1 2.91Å; S360-H366 VanDerWaalsContact O-CE1 3.31Å; N362-H366 PolarHBondContact N-ND1 3.01Å; N362-H366 VanDerWaalsContact N-ND1 3.17Å; N362-H366 WeakPolarHBondContact O-CB 3.41Å; N362-H366 PolarHBondContact O-N 2.92Å; E363-H366 PolarHBondContact O-N 3.45Å |
| 367 | E | 97.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | trans | -68 | 152.9 | 173.8 | 72.7 | 178.1 | 179.9 | 0 | 0 | 112.4 | Q279 E363 R385 | Q279-E367 PolarHBondContact NE2-OE2 3.35Å; E363-E367 WeakPolarHBondContact O-CB 3.13Å; E363-E367 WeakPolarHBondContact O-CG 3.34Å; E363-E367 PolarHBondContact O-N 3.47Å; E367-R385 WeakPolarHBondContact O-CD 3.1Å; E367-R385 PolarHBondContact O-NH1 3.07Å | ||
| 368 | T | 97.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | trans | -100.4 | 130.7 | 168.6 | -74.2 | 0 | 0 | 0 | 0 | 109.7 | T293 V294 A383 R385 | T293-T368 WeakPolarHBondContact CA-O 3.29Å; V294-T368 HydrophobicContact CG2-CG2 3.84Å; V294-T368 PolarHBondContact N-O 3.33Å; V294-T368 VanDerWaalsContact N-O 3.11Å; T368-A383 VanDerWaalsContact CA-O 3.31Å; T368-A383 WeakPolarHBondContact CA-O 3.03Å; T368-R385 PolarHBondContact OG1-N 3.17Å; T368-R385 PolarHBondContact OG1-O 3.31Å; T368-R385 VanDerWaalsContact OG1-O 3.11Å | ||
| 369 | F | 98.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 155.5 | 179.5 | 75.8 | -96.8 | 0 | 0 | 0 | 113.5 | R291 F292 T293 D371 Q381 F382 A383 | R291-F369 HydrophobicContact CG-CB 4.15Å; F292-F369 CarbonylContact O-C 3.58Å; F292-F369 VanDerWaalsContact O-CA 3.29Å; F292-F369 WeakPolarHBondContact O-CA 3.35Å; T293-F369 HydrophobicContact CG2-CB 3.9Å; F369-D371 WeakPolarHBondContact CE2-OD2 3.27Å; F369-Q381 HydrophobicContact CE2-CG 4Å; F369-Q381 HydrophobicContact CZ-CG 4.43Å; F369-F382 WeakPolarHBondContact O-CA 3.46Å; F369-F382 WeakPolarHBondContact O-CB 3.44Å; F369-A383 HydrophobicContact CD1-CB 3.88Å; F369-A383 HydrophobicContact CE1-CB 3.4Å; F369-A383 HydrophobicContact CZ-CB 3.83Å; F369-A383 PolarHBondContact N-O 2.98Å; F369-A383 PolarHBondContact O-N 3.28Å |
| 370 | L | 98.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.2 | 175.3 | -62.6 | 155.7 | 0 | 0 | 0 | 107.9 | F253 F265 F292 I372 T379 F382 | F253-L370 HydrophobicContact CE2-CD1 4.37Å; F253-L370 HydrophobicContact CZ-CD1 4.14Å; F265-L370 HydrophobicContact CD1-CD1 4.11Å; F265-L370 HydrophobicContact CE1-CD1 3.59Å; F265-L370 HydrophobicContact CZ-CD1 3.84Å; F292-L370 PolarHBondContact N-O 2.75Å; F292-L370 PolarHBondContact O-N 2.88Å; L370-I372 HydrophobicContact CB-CD1 4.17Å; L370-I372 HydrophobicContact CB-CG1 4.18Å; L370-T379 HydrophobicContact CB-CG2 4.35Å; L370-T379 HydrophobicContact CD2-CG2 3.79Å; L370-F382 HydrophobicContact CD2-CB 3.82Å; L370-F382 HydrophobicContact CD2-CG 4.5Å |
| 371 | D | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 108.6 | 173.9 | -65.9 | -26.5 | 0 | 0 | 0 | 109.2 | L289 Y290 R291 F369 L380 Q381 | L289-D371 HydrophobicContact CB-CB 4.12Å; L289-D371 HydrophobicContact CD1-CB 3.67Å; Y290-D371 WeakPolarHBondContact O-CA 3.22Å; R291-D371 VanDerWaalsContact CA-OD1 3.3Å; R291-D371 WeakPolarHBondContact CA-OD1 3.27Å; R291-D371 WeakPolarHBondContact CB-OD1 3.31Å; R291-D371 WeakPolarHBondContact CG-OD1 3.41Å; R291-D371 IonicContact CZ-OD1 3.8Å; R291-D371 IonicContact CZ-OD2 3.07Å; R291-D371 IonicContact NE-OD1 3.27Å; R291-D371 PolarHBondContact NE-OD1 2.94Å; R291-D371 IonicContact NE-OD2 2.86Å; R291-D371 IonicContact NH2-OD1 2.82Å; R291-D371 IonicContact NH2-OD2 3.42Å; R291-D371 PolarHBondContact NH2-OD2 3.39Å; F369-D371 WeakPolarHBondContact CE2-OD2 3.27Å; D371-L380 PolarHBondContact O-N 3.44Å; D371-Q381 HydrophobicContact CB-CB 4.05Å; D371-Q381 PolarHBondContact N-O 2.95Å; D371-Q381 PolarHBondContact O-N 2.92Å; D371-Q381 PolarHBondContact OD2-OE1 2.82Å |
| 372 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.6 | -167.3 | -60.1 | 166.8 | 0 | 0 | 0 | 109.7 | F253 V257 L263 L289 Y290 F292 L370 F378 | F253-I372 HydrophobicContact CD2-CD1 3.51Å; F253-I372 HydrophobicContact CD2-CG1 4.16Å; F253-I372 HydrophobicContact CD2-CG2 4.47Å; F253-I372 HydrophobicContact CE2-CD1 3.41Å; F253-I372 VanDerWaalsContact CE2-CD1 3.41Å; F253-I372 HydrophobicContact CE2-CG1 4.16Å; F253-I372 HydrophobicContact CG-CD1 4.43Å; F253-I372 HydrophobicContact CZ-CD1 4.28Å; V257-I372 HydrophobicContact CG2-CG2 4.19Å; L263-I372 HydrophobicContact CD1-CD1 3.21Å; L289-I372 CarbonylContact C-O 3.55Å; L289-I372 WeakPolarHBondContact CA-O 3.18Å; Y290-I372 PolarHBondContact N-O 3.38Å; Y290-I372 PolarHBondContact O-N 2.9Å; F292-I372 HydrophobicContact CB-CD1 4.44Å; F292-I372 HydrophobicContact CD2-CD1 3.76Å; F292-I372 HydrophobicContact CD2-CG1 4.47Å; F292-I372 HydrophobicContact CE2-CD1 4.32Å; F292-I372 HydrophobicContact CG-CD1 4.25Å; L370-I372 HydrophobicContact CB-CD1 4.17Å; L370-I372 HydrophobicContact CB-CG1 4.18Å; I372-F378 WeakPolarHBondContact CA-O 3.44Å |
| 373 | E | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | trans | -77.6 | 119.7 | 172.7 | -164.3 | -76.4 | 131.7 | 0 | 0 | 109.5 | I287 L289 I375 T376 G377 F378 L380 F429 | I287-E373 HydrophobicContact CG2-CG 3.92Å; L289-E373 HydrophobicContact CD2-CB 3.59Å; L289-E373 HydrophobicContact CD2-CG 4.04Å; E373-I375 VanDerWaalsContact C-N 3.34Å; E373-I375 PolarHBondContact O-N 3.1Å; E373-I375 VanDerWaalsContact OE1-CB 3.32Å; E373-I375 WeakPolarHBondContact OE1-CB 3.4Å; E373-I375 WeakPolarHBondContact OE1-CG1 3.48Å; E373-I375 PolarHBondContact OE1-N 3.4Å; E373-I375 PolarHBondContact OE2-N 3.37Å; E373-T376 VanDerWaalsContact OE2-CB 3.28Å; E373-T376 WeakPolarHBondContact OE2-CB 3.36Å; E373-T376 WeakPolarHBondContact OE2-CG2 3.26Å; E373-T376 PolarHBondContact OE2-N 3.46Å; E373-T376 PolarHBondContact OE2-OG1 3.06Å; E373-G377 WeakPolarHBondContact O-CA 3.41Å; E373-G377 PolarHBondContact O-N 3.4Å; E373-F378 PolarHBondContact N-O 2.9Å; E373-L380 HydrophobicContact CB-CD1 4.04Å; E373-L380 HydrophobicContact CB-CG 4.26Å; E373-F429 HydrophobicContact CB-CZ 4.16Å; E373-F429 HydrophobicContact CG-CE1 3.75Å; E373-F429 HydrophobicContact CG-CZ 3.64Å | ||
| 374 | P | 95.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 13% | 0.13 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26 | -164.1 | 26 | -35.5 | 0 | 0 | 0 | 114.5 | F256 V257 Y290 | F256-P374 CarbonylContact C-O 3.56Å; F256-P374 WeakPolarHBondContact CA-O 3.28Å; F256-P374 PolarHBondContact N-O 2.89Å; F256-P374 VanDerWaalsContact N-O 3.15Å; V257-P374 PolarHBondContact N-O 2.83Å; Y290-P374 HydrophobicContact CD2-CB 3.8Å; Y290-P374 HydrophobicContact CD2-CG 4.48Å; Y290-P374 HydrophobicContact CE1-CG 4.44Å; Y290-P374 HydrophobicContact CE2-CB 3.58Å; Y290-P374 HydrophobicContact CE2-CG 4.24Å; Y290-P374 HydrophobicContact CG-CB 4.41Å |
| 375 | I | 93.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 20.7 Ų | 20.7 | 23% | 0.226 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -48.9 | -177.4 | -59.8 | 175 | 0 | 0 | 0 | 110.1 | I38 P255 F256 E373 V437 | I38-I375 HydrophobicContact CB-CG2 4.47Å; I38-I375 HydrophobicContact CD1-CG2 3.8Å; I38-I375 HydrophobicContact CG1-CG2 3.69Å; I38-I375 HydrophobicContact CG2-CG2 4.07Å; P255-I375 WeakPolarHBondContact CA-O 2.97Å; P255-I375 WeakPolarHBondContact CB-O 3.21Å; F256-I375 HydrophobicContact CE1-CG2 4.46Å; F256-I375 PolarHBondContact N-O 3.15Å; E373-I375 VanDerWaalsContact C-N 3.34Å; E373-I375 PolarHBondContact O-N 3.1Å; E373-I375 VanDerWaalsContact OE1-CB 3.32Å; E373-I375 WeakPolarHBondContact OE1-CB 3.4Å; E373-I375 WeakPolarHBondContact OE1-CG1 3.48Å; E373-I375 PolarHBondContact OE1-N 3.4Å; E373-I375 PolarHBondContact OE2-N 3.37Å; I375-V437 HydrophobicContact CD1-CG1 4.14Å; I375-V437 HydrophobicContact CD1-CG2 4.17Å |
| 376 | T | 93.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -26.3 | -175.9 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | I38 T42 E373 F378 F429 V433 | I38-T376 HydrophobicContact CD1-CG2 4.33Å; T42-T376 HydrophobicContact CG2-CG2 4.4Å; E373-T376 VanDerWaalsContact OE2-CB 3.28Å; E373-T376 WeakPolarHBondContact OE2-CB 3.36Å; E373-T376 WeakPolarHBondContact OE2-CG2 3.26Å; E373-T376 PolarHBondContact OE2-N 3.46Å; E373-T376 PolarHBondContact OE2-OG1 3.06Å; T376-F378 VanDerWaalsContact C-N 3.31Å; T376-F378 HydrophobicContact CG2-CD2 4.48Å; T376-F378 HydrophobicContact CG2-CE2 4.41Å; T376-F378 PolarHBondContact OG1-N 3.41Å; T376-F429 HydrophobicContact CG2-CE2 4.09Å; T376-F429 HydrophobicContact CG2-CZ 3.95Å; T376-V433 HydrophobicContact CG2-CG1 4.03Å; T376-V433 HydrophobicContact CG2-CG2 4.36Å |
| 377 | G | 95.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 78.9 | 9.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S252 F253 E373 | S252-G377 CarbonylContact C-O 3.44Å; S252-G377 WeakPolarHBondContact CA-O 3.4Å; F253-G377 PolarHBondContact N-O 2.88Å; E373-G377 WeakPolarHBondContact O-CA 3.41Å; E373-G377 PolarHBondContact O-N 3.4Å | ||
| 378 | F | 95.4 | Very high | 97 | Very high | 22 Ų | 22 | 16.9 Ų | 16.9 | 10% | 0.096 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 135.4 | 179.9 | -60.9 | -18.4 | 0 | 0 | 0 | 112 | T42 I49 A50 I372 E373 T376 L380 F429 | T42-F378 HydrophobicContact CG2-CE1 4.33Å; T42-F378 HydrophobicContact CG2-CZ 4.16Å; I49-F378 HydrophobicContact CG2-CE2 4.16Å; A50-F378 HydrophobicContact CB-CE1 4.16Å; A50-F378 HydrophobicContact CB-CZ 3.91Å; I372-F378 WeakPolarHBondContact CA-O 3.44Å; E373-F378 PolarHBondContact N-O 2.9Å; T376-F378 VanDerWaalsContact C-N 3.31Å; T376-F378 HydrophobicContact CG2-CD2 4.48Å; T376-F378 HydrophobicContact CG2-CE2 4.41Å; T376-F378 PolarHBondContact OG1-N 3.41Å; F378-L380 HydrophobicContact CB-CD2 3.75Å; F378-L380 PolarHBondContact O-N 2.86Å; F378-F429 HydrophobicContact CD2-CE2 4.01Å |
| 379 | T | 96.3 | Very high | 97 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 12% | 0.117 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 110.1 | 170.5 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | G250 A251 L370 F382 | G250-T379 PolarHBondContact O-OG1 2.95Å; A251-T379 VanDerWaalsContact O-CB 3.32Å; A251-T379 WeakPolarHBondContact O-CB 3.17Å; A251-T379 PolarHBondContact O-N 3.18Å; A251-T379 PolarHBondContact O-OG1 3.19Å; L370-T379 HydrophobicContact CB-CG2 4.35Å; L370-T379 HydrophobicContact CD2-CG2 3.79Å; T379-F382 HydrophobicContact CG2-CB 3.91Å; T379-F382 HydrophobicContact CG2-CD1 4.18Å; T379-F382 HydrophobicContact CG2-CG 4.43Å |
| 380 | L | 95.6 | Very high | 97 | Very high | 14 Ų | 14 | 16 Ų | 16 | 7% | 0.073 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -18.3 | -175.4 | -57.9 | -164.4 | 0 | 0 | 0 | 113.3 | I287 L289 D371 E373 F378 I421 F429 | I287-L380 HydrophobicContact CD1-CD1 3.98Å; I287-L380 HydrophobicContact CG2-CD1 4.03Å; L289-L380 HydrophobicContact CD1-CB 4.1Å; L289-L380 HydrophobicContact CD2-CB 4.26Å; L289-L380 HydrophobicContact CD2-CD1 3.93Å; L289-L380 HydrophobicContact CD2-CG 4.2Å; D371-L380 PolarHBondContact O-N 3.44Å; E373-L380 HydrophobicContact CB-CD1 4.04Å; E373-L380 HydrophobicContact CB-CG 4.26Å; F378-L380 HydrophobicContact CB-CD2 3.75Å; F378-L380 PolarHBondContact O-N 2.86Å; L380-I421 HydrophobicContact CB-CB 4.34Å; L380-I421 HydrophobicContact CB-CG2 4.21Å; L380-I421 HydrophobicContact CD1-CD1 4.16Å; L380-I421 HydrophobicContact CD2-CD1 4.21Å; L380-I421 PolarHBondContact O-N 3.48Å; L380-F429 HydrophobicContact CD1-CD1 4.4Å; L380-F429 HydrophobicContact CD1-CE1 4.3Å; L380-F429 HydrophobicContact CD1-CE2 4.47Å; L380-F429 HydrophobicContact CD1-CZ 4.33Å |
| 381 | Q | 97.3 | Very high | 97 | Very high | 43 Ų | 43 | 15.6 Ų | 15.6 | 20% | 0.201 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.8 | 168.2 | 170.7 | 176.3 | 21.8 | 0 | 0 | 109 | F369 D371 A419 V420 | F369-Q381 HydrophobicContact CE2-CG 4Å; F369-Q381 HydrophobicContact CZ-CG 4.43Å; D371-Q381 HydrophobicContact CB-CB 4.05Å; D371-Q381 PolarHBondContact N-O 2.95Å; D371-Q381 PolarHBondContact O-N 2.92Å; D371-Q381 PolarHBondContact OD2-OE1 2.82Å; Q381-A419 VanDerWaalsContact CA-O 3.27Å; Q381-A419 WeakPolarHBondContact CA-O 3.27Å; Q381-V420 HydrophobicContact CG-CG2 4Å |
| 382 | F | 97.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 15.6 Ų | 15.6 | 18% | 0.175 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 158.7 | 171.6 | 72 | -86.5 | 0 | 0 | 0 | 111.5 | V61 F369 L370 T379 K384 E417 S418 A419 | V61-F382 HydrophobicContact CG1-CZ 3.99Å; F369-F382 WeakPolarHBondContact O-CA 3.46Å; F369-F382 WeakPolarHBondContact O-CB 3.44Å; L370-F382 HydrophobicContact CD2-CB 3.82Å; L370-F382 HydrophobicContact CD2-CG 4.5Å; T379-F382 HydrophobicContact CG2-CB 3.91Å; T379-F382 HydrophobicContact CG2-CD1 4.18Å; T379-F382 HydrophobicContact CG2-CG 4.43Å; F382-K384 HydrophobicContact CD2-CB 4.25Å; F382-K384 HydrophobicContact CE2-CB 4.33Å; F382-E417 WeakPolarHBondContact CD2-O 3.47Å; F382-E417 HydrophobicContact CE2-CG 4.07Å; F382-E417 WeakPolarHBondContact CE2-O 3.3Å; F382-E417 HydrophobicContact CZ-CG 4.37Å; F382-S418 WeakPolarHBondContact O-CA 3.45Å; F382-S418 VanDerWaalsContact O-CB 3.25Å; F382-S418 WeakPolarHBondContact O-CB 3.43Å; F382-A419 HydrophobicContact CD1-CB 4.03Å; F382-A419 HydrophobicContact CE1-CB 3.45Å; F382-A419 VanDerWaalsContact CE1-CB 3.45Å; F382-A419 HydrophobicContact CZ-CB 4.08Å; F382-A419 PolarHBondContact N-O 3.34Å; F382-A419 PolarHBondContact O-N 3.07Å |
| 383 | A | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 111.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | T368 F369 R385 | T368-A383 VanDerWaalsContact CA-O 3.31Å; T368-A383 WeakPolarHBondContact CA-O 3.03Å; F369-A383 HydrophobicContact CD1-CB 3.88Å; F369-A383 HydrophobicContact CE1-CB 3.4Å; F369-A383 HydrophobicContact CZ-CB 3.83Å; F369-A383 PolarHBondContact N-O 2.98Å; F369-A383 PolarHBondContact O-N 3.28Å; A383-R385 HydrophobicContact CB-CG 4.38Å |
| 384 | K | 97.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 13% | 0.126 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.3 | 173.3 | 174.2 | -175.1 | 179 | 173.9 | 0 | 108 | S267 D269 F382 L386 E417 | S267-K384 PolarHBondContact OG-NZ 2.94Å; D269-K384 IonicContact OD2-NZ 3.95Å; D269-K384 PolarHBondContact OD2-NZ 3.43Å; F382-K384 HydrophobicContact CD2-CB 4.25Å; F382-K384 HydrophobicContact CE2-CB 4.33Å; K384-L386 HydrophobicContact CD-CD1 4.39Å; K384-L386 HydrophobicContact CG-CD1 4.31Å; K384-L386 HydrophobicContact CG-CG 4.29Å; K384-E417 HydrophobicContact CB-CB 4.27Å; K384-E417 PolarHBondContact N-O 3Å; K384-E417 PolarHBondContact O-N 2.77Å |
| 385 | R | 98.3 | Very high | 96.5 | Very high | 33 Ų | 33 | 21 Ų | 21 | 13% | 0.125 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.9 | -174.7 | -53.7 | -171.4 | -172.3 | 140.3 | -24.7 | 110.5 | P343 E364 E365 E367 T368 A383 L415 N416 | P343-R385 HydrophobicContact CG-CB 3.86Å; E364-R385 PolarHBondContact O-NH1 2.9Å; E364-R385 PolarHBondContact O-NH2 3.43Å; E365-R385 VanDerWaalsContact C-CZ 3.5Å; E365-R385 WeakPolarHBondContact O-CD 3.39Å; E365-R385 PolarHBondContact O-NE 3.14Å; E365-R385 PolarHBondContact O-NH1 3.31Å; E365-R385 PolarHBondContact O-NH2 3.25Å; E367-R385 WeakPolarHBondContact O-CD 3.1Å; E367-R385 PolarHBondContact O-NH1 3.07Å; T368-R385 PolarHBondContact OG1-N 3.17Å; T368-R385 PolarHBondContact OG1-O 3.31Å; T368-R385 VanDerWaalsContact OG1-O 3.11Å; A383-R385 HydrophobicContact CB-CG 4.38Å; R385-L415 VanDerWaalsContact CA-O 3.28Å; R385-L415 WeakPolarHBondContact CA-O 3.46Å; R385-N416 HydrophobicContact CG-CB 4.42Å |
| 386 | L | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.2 | -174.5 | -59.4 | 170.7 | 0 | 0 | 0 | 109.7 | I270 I340 K384 W414 L415 | I270-L386 HydrophobicContact CG2-CD1 3.84Å; I270-L386 HydrophobicContact CG2-CD2 3.78Å; I270-L386 HydrophobicContact CG2-CG 4.47Å; I340-L386 HydrophobicContact CG2-CD2 4.17Å; K384-L386 HydrophobicContact CD-CD1 4.39Å; K384-L386 HydrophobicContact CG-CD1 4.31Å; K384-L386 HydrophobicContact CG-CG 4.29Å; L386-W414 CarbonylContact O-C 3.57Å; L386-W414 VanDerWaalsContact O-CA 3.23Å; L386-W414 WeakPolarHBondContact O-CA 3.33Å; L386-W414 WeakPolarHBondContact O-CB 3.13Å; L386-L415 HydrophobicContact CB-CD1 4.39Å; L386-L415 HydrophobicContact CB-CG 4.27Å; L386-L415 PolarHBondContact N-O 2.91Å; L386-L415 VanDerWaalsContact N-O 3.12Å; L386-L415 PolarHBondContact O-N 3.17Å |
| 387 | Q | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134 | 171.3 | -178 | 172.4 | -72.3 | 0 | 0 | 110.4 | F68 I340 S341 F345 N389 P411 L413 W414 | F68-Q387 HydrophobicContact CE2-CG 4.34Å; I340-Q387 WeakPolarHBondContact CA-O 3.48Å; S341-Q387 PolarHBondContact N-O 3.23Å; S341-Q387 PolarHBondContact O-N 3.37Å; S341-Q387 WeakPolarHBondContact OG-CB 3.4Å; S341-Q387 PolarHBondContact OG-NE2 2.94Å; F345-Q387 VanDerWaalsContact CE1-NE2 3.34Å; Q387-N389 WeakPolarHBondContact CG-OD1 3.39Å; Q387-N389 PolarHBondContact NE2-OD1 2.85Å; Q387-N389 PolarHBondContact O-ND2 3.36Å; Q387-P411 HydrophobicContact CG-CB 4.46Å; Q387-L413 WeakPolarHBondContact CA-O 3.46Å; Q387-L413 WeakPolarHBondContact CG-O 3.24Å; Q387-W414 HydrophobicContact CB-CB 3.85Å; Q387-W414 HydrophobicContact CG-CB 4.09Å |
| 388 | V | 98.8 | Very high | 96 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.2 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | V199 V338 I340 I412 L413 | V199-V388 HydrophobicContact CG1-CB 4.29Å; V199-V388 HydrophobicContact CG1-CG1 4Å; V199-V388 HydrophobicContact CG1-CG2 4.19Å; V338-V388 HydrophobicContact CG1-CG1 4.11Å; I340-V388 HydrophobicContact CD1-CG2 4.12Å; V388-I412 WeakPolarHBondContact O-CB 3.29Å; V388-I412 PolarHBondContact O-N 3.15Å; V388-L413 HydrophobicContact CB-CD1 4.26Å; V388-L413 HydrophobicContact CG2-CD1 4.07Å; V388-L413 PolarHBondContact N-O 3.29Å; V388-L413 PolarHBondContact O-N 2.91Å |
| 389 | N | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.8 | -178.2 | -42.5 | -84 | 0 | 0 | 0 | 110.2 | V338 F339 S341 F345 Q387 I409 F410 P411 | V338-N389 WeakPolarHBondContact CA-O 3.47Å; F339-N389 HydrophobicContact CB-CB 4.13Å; F339-N389 PolarHBondContact N-O 2.91Å; F339-N389 WeakPolarHBondContact O-CA 3.32Å; F339-N389 WeakPolarHBondContact O-CB 3.39Å; F339-N389 PolarHBondContact O-N 2.91Å; F339-N389 PolarHBondContact O-ND2 2.93Å; S341-N389 PolarHBondContact OG-ND2 3.4Å; F345-N389 WeakPolarHBondContact CE1-OD1 3.19Å; F345-N389 VanDerWaalsContact CZ-OD1 3.28Å; F345-N389 WeakPolarHBondContact CZ-OD1 3.49Å; Q387-N389 WeakPolarHBondContact CG-OD1 3.39Å; Q387-N389 PolarHBondContact NE2-OD1 2.85Å; Q387-N389 PolarHBondContact O-ND2 3.36Å; N389-I409 HydrophobicContact CB-CG2 3.37Å; N389-F410 CarbonylContact C-O 2.97Å; N389-F410 VanDerWaalsContact CA-O 3.25Å; N389-F410 WeakPolarHBondContact CA-O 3.47Å; N389-F410 WeakPolarHBondContact CB-O 3.27Å; N389-P411 VanDerWaalsContact OD1-CA 3.26Å; N389-P411 WeakPolarHBondContact OD1-CA 3.35Å; N389-P411 WeakPolarHBondContact OD1-CB 3.26Å |
| 390 | L | 98.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.7 | 173.8 | -155.5 | 71.7 | 0 | 0 | 0 | 109.5 | L137 L139 V142 P337 V338 V392 F410 I412 | L137-L390 HydrophobicContact CD2-CB 3.92Å; L137-L390 HydrophobicContact CD2-CD2 3.84Å; L137-L390 HydrophobicContact CD2-CG 4.44Å; L139-L390 HydrophobicContact CD2-CD2 4.09Å; V142-L390 HydrophobicContact CB-CD2 3.76Å; V142-L390 HydrophobicContact CG1-CD2 3.59Å; V142-L390 HydrophobicContact CG1-CG 4.06Å; P337-L390 HydrophobicContact CG-CD1 4.07Å; P337-L390 HydrophobicContact CG-CG 4.25Å; P337-L390 WeakPolarHBondContact O-CD1 3.29Å; V338-L390 HydrophobicContact CG2-CD1 4Å; L390-V392 PolarHBondContact O-N 2.86Å; L390-F410 PolarHBondContact N-O 3.11Å; L390-F410 PolarHBondContact O-N 3.1Å; L390-I412 HydrophobicContact CB-CD1 4.26Å; L390-I412 HydrophobicContact CB-CG1 4.34Å |
| 391 | L | 97.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.1 | 175.7 | 170.1 | 70.6 | 0 | 0 | 0 | 109.7 | I317 P337 F339 K393 P407 I409 | I317-L391 HydrophobicContact CD1-CD1 4.4Å; I317-L391 HydrophobicContact CD1-CD2 4.07Å; I317-L391 HydrophobicContact CG1-CD2 4Å; I317-L391 HydrophobicContact CG2-CD1 4.14Å; I317-L391 HydrophobicContact CG2-CD2 4.01Å; P337-L391 HydrophobicContact CB-CB 4.17Å; P337-L391 PolarHBondContact O-N 3.37Å; F339-L391 HydrophobicContact CD2-CB 3.76Å; F339-L391 HydrophobicContact CE2-CB 3.51Å; F339-L391 HydrophobicContact CE2-CD2 3.71Å; F339-L391 HydrophobicContact CE2-CG 4.21Å; F339-L391 HydrophobicContact CZ-CB 4.42Å; F339-L391 HydrophobicContact CZ-CD2 4.01Å; L391-K393 HydrophobicContact CD2-CD 4.41Å; L391-K393 HydrophobicContact CD2-CG 4.29Å; L391-K393 HydrophobicContact CG-CG 4.12Å; L391-P407 HydrophobicContact CD1-CB 4.18Å; L391-I409 HydrophobicContact CD1-CG1 4.27Å |
| 392 | V | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127 | 173.9 | -174 | 0 | 0 | 0 | 0 | 107.7 | L137 V142 M168 L390 V404 P407 Y408 F410 | L137-V392 HydrophobicContact CD1-CG2 4.27Å; L137-V392 HydrophobicContact CD2-CG2 4.03Å; V142-V392 HydrophobicContact CG1-CB 4.49Å; V142-V392 HydrophobicContact CG1-CG2 4.12Å; V142-V392 HydrophobicContact CG2-CG2 4.46Å; M168-V392 HydrophobicContact CE-CB 4.41Å; M168-V392 HydrophobicContact CE-CG1 3.54Å; M168-V392 HydrophobicContact CE-CG2 4.06Å; L390-V392 PolarHBondContact O-N 2.86Å; V392-V404 HydrophobicContact CG1-CB 4.44Å; V392-V404 HydrophobicContact CG1-CG1 3.86Å; V392-V404 HydrophobicContact CG1-CG2 3.76Å; V392-P407 WeakPolarHBondContact O-CA 3.49Å; V392-Y408 HydrophobicContact CB-CD1 4.13Å; V392-Y408 HydrophobicContact CB-CE1 3.78Å; V392-Y408 HydrophobicContact CG1-CE1 3.88Å; V392-Y408 HydrophobicContact CG2-CE1 4.32Å; V392-Y408 PolarHBondContact N-O 3.01Å; V392-Y408 PolarHBondContact O-N 3.09Å; V392-F410 HydrophobicContact CG2-CB 3.8Å |
| 393 | K | 94.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | trans | -115.9 | 148.5 | 176.4 | -64.4 | -172.9 | 179.5 | -173.9 | 0 | 110.6 | L391 A395 P407 | L391-K393 HydrophobicContact CD2-CD 4.41Å; L391-K393 HydrophobicContact CD2-CG 4.29Å; L391-K393 HydrophobicContact CG-CG 4.12Å; K393-A395 PolarHBondContact O-N 3.17Å; K393-P407 HydrophobicContact CG-CB 4.47Å | ||
| 394 | P | 93.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 31% | 0.312 | 20% | 0.202 | S | C | . | . | trans | -56.5 | 131.1 | 168.6 | -24.8 | 34.7 | 0 | 0 | 0 | 111.4 | V404 Q405 | P394-V404 WeakPolarHBondContact CB-O 3.24Å; P394-V404 HydrophobicContact CG-CG1 4.17Å; P394-Q405 WeakPolarHBondContact CG-O 3.41Å | ||
| 395 | A | 92.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | trans | -133.2 | 83.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P145 K393 K397 I398 L401 | P145-A395 HydrophobicContact CB-CB 4.41Å; K393-A395 PolarHBondContact O-N 3.17Å; A395-K397 PolarHBondContact O-N 3.35Å; A395-I398 HydrophobicContact CB-CB 4.09Å; A395-I398 HydrophobicContact CB-CD1 4.24Å; A395-I398 HydrophobicContact CB-CG1 4.34Å; A395-I398 PolarHBondContact O-N 3.21Å; A395-L401 HydrophobicContact CB-CB 4.06Å; A395-L401 HydrophobicContact CB-CD1 3.89Å | ||
| 396 | P | 86.5 | Confident | 94.8 | Very high | 120 Ų | 120 | 48.5 Ų | 48.5 | 78% | 0.779 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.2 | -171.8 | -26.4 | 34.5 | 0 | 0 | 0 | 115 | I398 | P396-I398 VanDerWaalsContact C-N 3.33Š|
| 397 | K | 90.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.5 | 178.5 | -64.4 | -176.4 | 178.7 | -178.6 | 0 | 113.5 | Q154 N158 A395 | Q154-K397 HydrophobicContact CB-CB 4.33Å; Q154-K397 HydrophobicContact CB-CD 4.4Å; N158-K397 WeakPolarHBondContact CB-O 3.23Å; N158-K397 PolarHBondContact ND2-O 3.02Å; A395-K397 PolarHBondContact O-N 3.35Å |
| 398 | I | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -112.7 | 113.1 | -178.5 | -64.6 | -177.7 | 0 | 0 | 0 | 108.2 | P145 L157 N158 M161 A395 P396 A400 L401 S402 | P145-I398 HydrophobicContact CB-CD1 3.59Å; P145-I398 HydrophobicContact CG-CD1 3.2Å; L157-I398 HydrophobicContact CB-CD1 4.36Å; N158-I398 HydrophobicContact CB-CG1 4.19Å; N158-I398 WeakPolarHBondContact OD1-CA 3.39Å; M161-I398 HydrophobicContact CE-CD1 4.36Å; M161-I398 HydrophobicContact SD-CG2 3.59Å; M161-I398 VanDerWaalsContact SD-CG2 3.59Å; A395-I398 HydrophobicContact CB-CB 4.09Å; A395-I398 HydrophobicContact CB-CD1 4.24Å; A395-I398 HydrophobicContact CB-CG1 4.34Å; A395-I398 PolarHBondContact O-N 3.21Å; P396-I398 VanDerWaalsContact C-N 3.33Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 HydrophobicContact CG2-CB 4.08Å; I398-A400 PolarHBondContact O-N 2.97Å; I398-L401 HydrophobicContact CG2-CB 4.35Å; I398-L401 HydrophobicContact CG2-CD1 4.45Å; I398-L401 HydrophobicContact CG2-CG 4.24Å; I398-L401 CarbonylContact O-C 3.57Å; I398-L401 PolarHBondContact O-N 2.93Å; I398-S402 PolarHBondContact O-N 3.09Å; I398-S402 VanDerWaalsContact O-N 3.11Å | ||
| 399 | E | 94.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 51.3 Ų | 51.3 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -58.7 | -40.7 | -175.9 | -173.8 | 174.4 | 145.7 | 0 | 0 | 111.7 | N158 K162 L401 S402 | N158-E399 PolarHBondContact OD1-N 3.36Å; K162-E399 WeakPolarHBondContact CE-OE2 3.45Å; K162-E399 IonicContact NZ-OE2 3.39Å; K162-E399 PolarHBondContact NZ-OE2 2.86Å; E399-L401 PolarHBondContact O-N 2.93Å; E399-L401 VanDerWaalsContact O-N 3.12Å; E399-S402 VanDerWaalsContact O-CB 3.3Å; E399-S402 WeakPolarHBondContact O-CB 3.34Å; E399-S402 PolarHBondContact O-N 3.43Å; E399-S402 VanDerWaalsContact O-N 3.1Å; E399-S402 PolarHBondContact O-OG 3.16Å |
| 400 | A | 95.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59.1 | -23.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V141 M168 I398 | V141-A400 HydrophobicContact CG1-CB 3.81Å; M168-A400 WeakPolarHBondContact CB-O 3.41Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 HydrophobicContact CG2-CB 4.08Å; I398-A400 PolarHBondContact O-N 2.97Å |
| 401 | L | 95.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -114.9 | 8.8 | -179.7 | -62.6 | 178 | 0 | 0 | 0 | 112.6 | V141 V142 P145 M168 A395 I398 E399 K403 V404 | V141-L401 HydrophobicContact CG1-CD2 4.23Å; V141-L401 HydrophobicContact CG1-CG 4.26Å; V142-L401 HydrophobicContact CG2-CD2 4.2Å; P145-L401 HydrophobicContact CB-CD1 4.41Å; P145-L401 HydrophobicContact CG-CD1 4Å; M168-L401 HydrophobicContact CB-CD2 4.07Å; M168-L401 HydrophobicContact CG-CD2 3.92Å; M168-L401 HydrophobicContact SD-CD2 3.86Å; A395-L401 HydrophobicContact CB-CB 4.06Å; A395-L401 HydrophobicContact CB-CD1 3.89Å; I398-L401 HydrophobicContact CG2-CB 4.35Å; I398-L401 HydrophobicContact CG2-CD1 4.45Å; I398-L401 HydrophobicContact CG2-CG 4.24Å; I398-L401 CarbonylContact O-C 3.57Å; I398-L401 PolarHBondContact O-N 2.93Å; E399-L401 PolarHBondContact O-N 2.93Å; E399-L401 VanDerWaalsContact O-N 3.12Å; L401-K403 PolarHBondContact O-N 3Å; L401-K403 VanDerWaalsContact O-N 3.15Å; L401-V404 HydrophobicContact CB-CG2 4.44Å; L401-V404 HydrophobicContact CD2-CG2 4.32Å; L401-V404 WeakPolarHBondContact O-CB 3.16Å; L401-V404 PolarHBondContact O-N 2.75Å |
| 402 | S | 92.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.5 | -173.6 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | I398 E399 | I398-S402 PolarHBondContact O-N 3.09Å; I398-S402 VanDerWaalsContact O-N 3.11Å; E399-S402 VanDerWaalsContact O-CB 3.3Å; E399-S402 WeakPolarHBondContact O-CB 3.34Å; E399-S402 PolarHBondContact O-N 3.43Å; E399-S402 VanDerWaalsContact O-N 3.1Å; E399-S402 PolarHBondContact O-OG 3.16Å |
| 403 | K | 94.2 | Very high | 94.6 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8.9 | 177.6 | -56 | -56.3 | 179.3 | 165.6 | 0 | 113.9 | L77 N78 L401 Q405 | L77-K403 WeakPolarHBondContact O-CG 3.49Å; N78-K403 WeakPolarHBondContact O-CE 3.42Å; N78-K403 PolarHBondContact O-NZ 3.07Å; L401-K403 PolarHBondContact O-N 3Å; L401-K403 VanDerWaalsContact O-N 3.15Å; K403-Q405 PolarHBondContact O-N 3.26Å |
| 404 | V | 94.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | trans | -76.4 | 109.7 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | M168 V392 P394 L401 K406 Y408 | M168-V404 HydrophobicContact CE-CG2 4.02Å; M168-V404 HydrophobicContact SD-CG2 3.72Å; V392-V404 HydrophobicContact CG1-CB 4.44Å; V392-V404 HydrophobicContact CG1-CG1 3.86Å; V392-V404 HydrophobicContact CG1-CG2 3.76Å; P394-V404 WeakPolarHBondContact CB-O 3.24Å; P394-V404 HydrophobicContact CG-CG1 4.17Å; L401-V404 HydrophobicContact CB-CG2 4.44Å; L401-V404 HydrophobicContact CD2-CG2 4.32Å; L401-V404 WeakPolarHBondContact O-CB 3.16Å; L401-V404 PolarHBondContact O-N 2.75Å; V404-K406 WeakPolarHBondContact CG1-O 3.13Å; V404-Y408 HydrophobicContact CG1-CD1 4.5Å; V404-Y408 HydrophobicContact CG1-CE1 4.16Å | ||
| 405 | Q | 91.5 | Very high | 95 | Very high | 170 Ų | 170 | 45.2 Ų | 45.2 | 79% | 0.794 | 23% | 0.234 | S | C | * | . | trans | -87 | -39.2 | -174.9 | -60.2 | -177.1 | 19 | 0 | 0 | 113.1 | P394 K403 | P394-Q405 WeakPolarHBondContact CG-O 3.41Å; K403-Q405 PolarHBondContact O-N 3.26Å | ||
| 406 | K | 93.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -133.6 | 156.5 | -179.5 | 65.3 | 176.3 | -175.3 | 168.4 | 0 | 110.7 | D355 V404 | D355-K406 WeakPolarHBondContact OD1-CE 3.38Å; D355-K406 IonicContact OD1-NZ 3.71Å; D355-K406 PolarHBondContact OD1-NZ 2.86Å; V404-K406 WeakPolarHBondContact CG1-O 3.13Å |
| 407 | P | 94.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | trans | -64.4 | 139.2 | 171.9 | -17.8 | 31.1 | 0 | 0 | 0 | 111.4 | I317 L391 V392 K393 | I317-P407 HydrophobicContact CD1-CB 3.7Å; I317-P407 HydrophobicContact CD1-CG 3.98Å; L391-P407 HydrophobicContact CD1-CB 4.18Å; V392-P407 WeakPolarHBondContact O-CA 3.49Å; K393-P407 HydrophobicContact CG-CB 4.47Å | ||
| 408 | Y | 95.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 36 Ų | 36 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 157.6 | 173.7 | 71 | -78 | 0 | 0 | 0 | 111.7 | P83 M168 D355 V356 V392 V404 F410 | P83-Y408 HydrophobicContact CG-CE2 4.36Å; M168-Y408 WeakPolarHBondContact CE-OH 3.34Å; D355-Y408 HydrophobicContact CB-CD2 4.08Å; D355-Y408 HydrophobicContact CB-CG 4.22Å; D355-Y408 VanDerWaalsContact OD2-CB 3.27Å; D355-Y408 WeakPolarHBondContact OD2-CB 3.49Å; V356-Y408 HydrophobicContact CG1-CE2 4.5Å; V392-Y408 HydrophobicContact CB-CD1 4.13Å; V392-Y408 HydrophobicContact CB-CE1 3.78Å; V392-Y408 HydrophobicContact CG1-CE1 3.88Å; V392-Y408 HydrophobicContact CG2-CE1 4.32Å; V392-Y408 PolarHBondContact N-O 3.01Å; V392-Y408 PolarHBondContact O-N 3.09Å; V404-Y408 HydrophobicContact CG1-CD1 4.5Å; V404-Y408 HydrophobicContact CG1-CE1 4.16Å; Y408-F410 HydrophobicContact CE2-CB 4.18Å; Y408-F410 AromaticContact CE2-CD2 3.82Å; Y408-F410 HydrophobicContact CE2-CD2 3.82Å; Y408-F410 HydrophobicContact CE2-CG 4.48Å |
| 409 | I | 97.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.9 | -176.3 | -60.6 | 174.8 | 0 | 0 | 0 | 108.7 | V326 F339 F345 I352 N389 L391 | V326-I409 HydrophobicContact CB-CD1 4.1Å; V326-I409 HydrophobicContact CG1-CD1 3.92Å; V326-I409 HydrophobicContact CG2-CD1 3.83Å; F339-I409 HydrophobicContact CB-CG2 4.24Å; F339-I409 HydrophobicContact CD1-CD1 3.92Å; F339-I409 HydrophobicContact CE1-CD1 4.29Å; F339-I409 HydrophobicContact CG-CD1 4.33Å; F345-I409 HydrophobicContact CE1-CG2 3.97Å; F345-I409 HydrophobicContact CZ-CB 4.43Å; F345-I409 HydrophobicContact CZ-CG2 3.87Å; I352-I409 HydrophobicContact CD1-CD1 4.47Å; N389-I409 HydrophobicContact CB-CG2 3.37Å; L391-I409 HydrophobicContact CD1-CG1 4.27Å |
| 410 | F | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.8 | -179.6 | -168.2 | -68.9 | 0 | 0 | 0 | 110.2 | V70 P83 L85 L137 N389 L390 V392 Y408 I412 | V70-F410 HydrophobicContact CG2-CZ 3.72Å; P83-F410 HydrophobicContact CB-CE2 3.83Å; P83-F410 HydrophobicContact CB-CZ 4.37Å; P83-F410 HydrophobicContact CG-CD2 4.06Å; P83-F410 HydrophobicContact CG-CE2 3.57Å; L85-F410 HydrophobicContact CD2-CE1 4.47Å; L85-F410 HydrophobicContact CD2-CZ 4.02Å; L137-F410 HydrophobicContact CB-CD1 4.07Å; L137-F410 HydrophobicContact CB-CE1 4.04Å; L137-F410 HydrophobicContact CB-CZ 4.46Å; L137-F410 HydrophobicContact CD1-CD2 4.05Å; L137-F410 HydrophobicContact CD1-CE2 4.24Å; L137-F410 HydrophobicContact CD1-CG 4.24Å; L137-F410 HydrophobicContact CD2-CB 4.02Å; L137-F410 HydrophobicContact CD2-CD1 4.1Å; L137-F410 HydrophobicContact CD2-CG 4Å; L137-F410 HydrophobicContact CG-CD1 4.5Å; N389-F410 CarbonylContact C-O 2.97Å; N389-F410 VanDerWaalsContact CA-O 3.25Å; N389-F410 WeakPolarHBondContact CA-O 3.47Å; N389-F410 WeakPolarHBondContact CB-O 3.27Å; L390-F410 PolarHBondContact N-O 3.11Å; L390-F410 PolarHBondContact O-N 3.1Å; V392-F410 HydrophobicContact CG2-CB 3.8Å; Y408-F410 HydrophobicContact CE2-CB 4.18Å; Y408-F410 AromaticContact CE2-CD2 3.82Å; Y408-F410 HydrophobicContact CE2-CD2 3.82Å; Y408-F410 HydrophobicContact CE2-CG 4.48Å; F410-I412 HydrophobicContact CD1-CD1 3.87Å; F410-I412 HydrophobicContact CE1-CD1 4.38Å |
| 411 | P | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 128.7 | 177.8 | 34.2 | -36.2 | 0 | 0 | 0 | 111.1 | F68 L85 F345 V356 L359 Q387 N389 | F68-P411 HydrophobicContact CD2-CB 3.71Å; F68-P411 HydrophobicContact CD2-CG 4.14Å; F68-P411 HydrophobicContact CE2-CB 3.78Å; F68-P411 HydrophobicContact CE2-CG 4.42Å; F68-P411 HydrophobicContact CG-CG 4.48Å; L85-P411 HydrophobicContact CD1-CG 3.36Å; F345-P411 HydrophobicContact CE2-CB 4.24Å; F345-P411 HydrophobicContact CE2-CG 4.19Å; F345-P411 HydrophobicContact CZ-CB 4.06Å; F345-P411 HydrophobicContact CZ-CG 4.39Å; V356-P411 HydrophobicContact CG2-CG 4.5Å; L359-P411 HydrophobicContact CD2-CG 4.46Å; Q387-P411 HydrophobicContact CG-CB 4.46Å; N389-P411 VanDerWaalsContact OD1-CA 3.26Å; N389-P411 WeakPolarHBondContact OD1-CA 3.35Å; N389-P411 WeakPolarHBondContact OD1-CB 3.26Å |
| 412 | I | 98.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -53.8 | -177.4 | -54.4 | -62.1 | 0 | 0 | 0 | 110.1 | F68 L137 L139 V199 V388 L390 F410 | F68-I412 PolarHBondContact N-O 3.07Å; L137-I412 HydrophobicContact CB-CD1 3.66Å; L137-I412 HydrophobicContact CD2-CD1 3.8Å; L137-I412 HydrophobicContact CG-CD1 4.41Å; L139-I412 HydrophobicContact CD2-CD1 3.96Å; L139-I412 HydrophobicContact CD2-CG1 4.38Å; V199-I412 HydrophobicContact CG2-CG2 3.93Å; V388-I412 WeakPolarHBondContact O-CB 3.29Å; V388-I412 PolarHBondContact O-N 3.15Å; L390-I412 HydrophobicContact CB-CD1 4.26Å; L390-I412 HydrophobicContact CB-CG1 4.34Å; F410-I412 HydrophobicContact CD1-CD1 3.87Å; F410-I412 HydrophobicContact CE1-CD1 4.38Å |
| 413 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 161.3 | 179.8 | 60 | 81.8 | 0 | 0 | 0 | 109.9 | F65 W66 I67 L178 V199 F200 Q387 V388 | F65-L413 HydrophobicContact CD1-CD1 4.19Å; W66-L413 CarbonylContact O-C 3.56Å; W66-L413 WeakPolarHBondContact O-CA 3.49Å; W66-L413 VanDerWaalsContact O-CB 3.26Å; W66-L413 WeakPolarHBondContact O-CB 3.31Å; I67-L413 HydrophobicContact CB-CB 4.35Å; I67-L413 HydrophobicContact CG1-CB 3.98Å; I67-L413 HydrophobicContact CG1-CD2 4.31Å; L178-L413 HydrophobicContact CD2-CD2 3.49Å; L178-L413 VanDerWaalsContact CD2-CD2 3.49Å; V199-L413 HydrophobicContact CB-CD2 4.22Å; V199-L413 HydrophobicContact CG1-CD2 4.09Å; V199-L413 HydrophobicContact CG1-CG 4.47Å; V199-L413 HydrophobicContact CG2-CD2 3.99Å; F200-L413 HydrophobicContact CE2-CD1 4.19Å; F200-L413 HydrophobicContact CE2-CD2 4.22Å; F200-L413 HydrophobicContact CZ-CD1 4.22Å; Q387-L413 WeakPolarHBondContact CA-O 3.46Å; Q387-L413 WeakPolarHBondContact CG-O 3.24Å; V388-L413 HydrophobicContact CB-CD1 4.26Å; V388-L413 HydrophobicContact CG2-CD1 4.07Å; V388-L413 PolarHBondContact N-O 3.29Å; V388-L413 PolarHBondContact O-N 2.91Å |
| 414 | W | 98.8 | Very high | 96 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 159.5 | 162.4 | 72.1 | -92.5 | 0 | 0 | 0 | 110.8 | W66 F68 P343 H344 L386 Q387 N416 | W66-W414 HydrophobicContact CB-CD2 4.1Å; W66-W414 HydrophobicContact CB-CG 4.2Å; W66-W414 HydrophobicContact CB-CZ2 4.03Å; W66-W414 VanDerWaalsContact CB-NE1 3.28Å; W66-W414 HydrophobicContact CD2-CD2 4.3Å; W66-W414 AromaticContact CD2-CE2 3.67Å; W66-W414 AromaticContact CD2-CH2 3.57Å; W66-W414 HydrophobicContact CD2-CH2 3.57Å; W66-W414 AromaticContact CD2-CZ2 3.26Å; W66-W414 HydrophobicContact CD2-CZ2 3.26Å; W66-W414 HydrophobicContact CD2-CZ3 4.21Å; W66-W414 AromaticContact CE2-CH2 3.84Å; W66-W414 AromaticContact CE2-CZ2 3.66Å; W66-W414 AromaticContact CE3-CD2 3.93Å; W66-W414 HydrophobicContact CE3-CD2 3.93Å; W66-W414 AromaticContact CE3-CE2 3.76Å; W66-W414 AromaticContact CE3-CE3 3.79Å; W66-W414 HydrophobicContact CE3-CE3 3.79Å; W66-W414 AromaticContact CE3-CH2 3.31Å; W66-W414 HydrophobicContact CE3-CH2 3.31Å; W66-W414 AromaticContact CE3-CZ2 3.46Å; W66-W414 HydrophobicContact CE3-CZ2 3.46Å; W66-W414 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W414 AromaticContact CE3-CZ3 3.5Å; W66-W414 HydrophobicContact CE3-CZ3 3.5Å; W66-W414 HydrophobicContact CG-CD2 4.41Å; W66-W414 AromaticContact CG-CE2 3.6Å; W66-W414 HydrophobicContact CG-CH2 4.32Å; W66-W414 AromaticContact CG-CZ2 3.54Å; W66-W414 HydrophobicContact CG-CZ2 3.54Å; W66-W414 AromaticContact CG-NE1 3.76Å; W66-W414 AromaticContact CH2-CH2 3.69Å; W66-W414 HydrophobicContact CH2-CH2 3.69Å; W66-W414 HydrophobicContact CH2-CZ2 4.35Å; W66-W414 HydrophobicContact CH2-CZ3 4.16Å; W66-W414 AromaticContact CZ2-CH2 3.91Å; W66-W414 HydrophobicContact CZ2-CH2 3.91Å; W66-W414 HydrophobicContact CZ2-CZ2 4.2Å; W66-W414 HydrophobicContact CZ3-CE3 4.15Å; W66-W414 AromaticContact CZ3-CH2 3.38Å; W66-W414 HydrophobicContact CZ3-CH2 3.38Å; W66-W414 HydrophobicContact CZ3-CZ2 4.01Å; W66-W414 AromaticContact CZ3-CZ3 3.47Å; W66-W414 HydrophobicContact CZ3-CZ3 3.47Å; W66-W414 VanDerWaalsContact CZ3-CZ3 3.47Å; W66-W414 PolarHBondContact N-O 3.23Å; W66-W414 PolarHBondContact O-N 2.88Å; F68-W414 AromaticContact CE2-CD1 3.96Å; F68-W414 AromaticContact CZ-CD1 3.7Å; P343-W414 HydrophobicContact CB-CB 3.89Å; P343-W414 HydrophobicContact CB-CD2 3.76Å; P343-W414 HydrophobicContact CB-CE3 3.91Å; P343-W414 HydrophobicContact CB-CG 3.77Å; P343-W414 HydrophobicContact CG-CB 4.12Å; P343-W414 HydrophobicContact CG-CD2 4.05Å; P343-W414 HydrophobicContact CG-CE3 3.7Å; P343-W414 HydrophobicContact CG-CG 4.26Å; P343-W414 HydrophobicContact CG-CZ3 4.38Å; H344-W414 AromaticContact CD2-NE1 3.94Å; H344-W414 AromaticContact NE2-NE1 3.56Å; L386-W414 CarbonylContact O-C 3.57Å; L386-W414 VanDerWaalsContact O-CA 3.23Å; L386-W414 WeakPolarHBondContact O-CA 3.33Å; L386-W414 WeakPolarHBondContact O-CB 3.13Å; Q387-W414 HydrophobicContact CB-CB 3.85Å; Q387-W414 HydrophobicContact CG-CB 4.09Å; W414-N416 HydrophobicContact CZ3-CB 4.05Å |
| 415 | L | 98.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.1 | -177.4 | 67.1 | 90.7 | 0 | 0 | 0 | 111.6 | R63 Q64 F65 F200 R385 L386 E417 | R63-L415 HydrophobicContact CG-CB 4.4Å; R63-L415 HydrophobicContact CG-CD1 4.37Å; Q64-L415 CarbonylContact O-C 3.5Å; Q64-L415 WeakPolarHBondContact O-CA 3.46Å; Q64-L415 WeakPolarHBondContact O-CB 3.49Å; F65-L415 HydrophobicContact CD1-CB 3.69Å; F65-L415 HydrophobicContact CE1-CB 3.85Å; F65-L415 HydrophobicContact CE1-CD2 4.07Å; F200-L415 HydrophobicContact CE1-CD2 4.11Å; F200-L415 HydrophobicContact CZ-CD2 3.68Å; R385-L415 VanDerWaalsContact CA-O 3.28Å; R385-L415 WeakPolarHBondContact CA-O 3.46Å; L386-L415 HydrophobicContact CB-CD1 4.39Å; L386-L415 HydrophobicContact CB-CG 4.27Å; L386-L415 PolarHBondContact N-O 2.91Å; L386-L415 VanDerWaalsContact N-O 3.12Å; L386-L415 PolarHBondContact O-N 3.17Å; L415-E417 HydrophobicContact CD1-CB 4.33Å |
| 416 | N | 98.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 106.6 | 165.9 | 177.9 | 23.9 | 0 | 0 | 0 | 108.5 | R63 Q64 W66 R385 W414 | R63-N416 WeakPolarHBondContact CA-O 3.2Å; Q64-N416 HydrophobicContact CB-CB 4.47Å; Q64-N416 PolarHBondContact N-O 3.12Å; Q64-N416 PolarHBondContact O-N 3.05Å; Q64-N416 PolarHBondContact OE1-ND2 3.28Å; W66-N416 HydrophobicContact CH2-CB 4.29Å; W66-N416 HydrophobicContact CZ3-CB 3.81Å; R385-N416 HydrophobicContact CG-CB 4.42Å; W414-N416 HydrophobicContact CZ3-CB 4.05Å |
| 417 | E | 98.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 113.4 | 165.7 | -176.3 | 173.1 | 127.1 | 0 | 0 | 109 | V61 Y62 R63 R96 F382 K384 L415 | V61-E417 HydrophobicContact CG1-CG 3.68Å; Y62-E417 CarbonylContact O-C 3.56Å; Y62-E417 VanDerWaalsContact O-CA 3.29Å; Y62-E417 WeakPolarHBondContact O-CA 3.35Å; R63-E417 HydrophobicContact CG-CB 4.33Å; R63-E417 IonicContact CZ-OE2 3.31Å; R63-E417 IonicContact NE-OE2 3.45Å; R63-E417 PolarHBondContact NE-OE2 3.39Å; R63-E417 IonicContact NH2-OE2 2.73Å; R63-E417 PolarHBondContact NH2-OE2 2.86Å; R96-E417 IonicContact CZ-OE1 3.25Å; R96-E417 IonicContact NE-OE1 2.64Å; R96-E417 PolarHBondContact NE-OE1 3.04Å; R96-E417 IonicContact NH2-OE1 2.75Å; R96-E417 PolarHBondContact NH2-OE1 2.84Å; F382-E417 WeakPolarHBondContact CD2-O 3.47Å; F382-E417 HydrophobicContact CE2-CG 4.07Å; F382-E417 WeakPolarHBondContact CE2-O 3.3Å; F382-E417 HydrophobicContact CZ-CG 4.37Å; K384-E417 HydrophobicContact CB-CB 4.27Å; K384-E417 PolarHBondContact N-O 3Å; K384-E417 PolarHBondContact O-N 2.77Å; L415-E417 HydrophobicContact CD1-CB 4.33Å |
| 418 | S | 97.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 153.4 | -174.1 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | Y62 F382 | Y62-S418 PolarHBondContact N-O 3.06Å; Y62-S418 PolarHBondContact O-N 3.06Å; F382-S418 WeakPolarHBondContact O-CA 3.45Å; F382-S418 VanDerWaalsContact O-CB 3.25Å; F382-S418 WeakPolarHBondContact O-CB 3.43Å |
| 419 | A | 96.5 | Very high | 95 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 5% | 0.05 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 151.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V61 Q381 F382 | V61-A419 HydrophobicContact CB-CB 4.41Å; V61-A419 HydrophobicContact CG1-CB 4.49Å; V61-A419 HydrophobicContact CG2-CB 3.99Å; Q381-A419 VanDerWaalsContact CA-O 3.27Å; Q381-A419 WeakPolarHBondContact CA-O 3.27Å; F382-A419 HydrophobicContact CD1-CB 4.03Å; F382-A419 HydrophobicContact CE1-CB 3.45Å; F382-A419 VanDerWaalsContact CE1-CB 3.45Å; F382-A419 HydrophobicContact CZ-CB 4.08Å; F382-A419 PolarHBondContact N-O 3.34Å; F382-A419 PolarHBondContact O-N 3.07Å |
| 420 | V | 96.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 33 Ų | 33 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.2 | 170.9 | -174.2 | 0 | 0 | 0 | 0 | 107.2 | S59 V284 Q381 G422 | S59-V420 WeakPolarHBondContact CB-O 3.26Å; V284-V420 HydrophobicContact CG1-CG1 3.89Å; Q381-V420 HydrophobicContact CG-CG2 4Å; V420-G422 PolarHBondContact O-N 3.42Å |
| 421 | I | 94 | Very high | 94.2 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | trans | -50.4 | 127.8 | 174.8 | -173 | 170.4 | 0 | 0 | 0 | 111.9 | S59 V284 K285 I287 L380 K425 A426 F429 | S59-I421 VanDerWaalsContact OG-CA 3.25Å; S59-I421 WeakPolarHBondContact OG-CA 3.4Å; S59-I421 PolarHBondContact OG-N 2.96Å; V284-I421 HydrophobicContact CG1-CG2 4.35Å; K285-I421 HydrophobicContact CD-CG2 4.3Å; K285-I421 VanDerWaalsContact CD-O 3.24Å; K285-I421 WeakPolarHBondContact CD-O 3.38Å; K285-I421 WeakPolarHBondContact CE-O 3.43Å; K285-I421 PolarHBondContact NZ-O 3.46Å; I287-I421 HydrophobicContact CD1-CD1 4.37Å; L380-I421 HydrophobicContact CB-CB 4.34Å; L380-I421 HydrophobicContact CB-CG2 4.21Å; L380-I421 HydrophobicContact CD1-CD1 4.16Å; L380-I421 HydrophobicContact CD2-CD1 4.21Å; L380-I421 PolarHBondContact O-N 3.48Å; I421-K425 HydrophobicContact CD1-CB 4.25Å; I421-K425 HydrophobicContact CG1-CB 3.92Å; I421-A426 HydrophobicContact CD1-CB 4.14Å; I421-A426 HydrophobicContact CG1-CB 4.15Å; I421-A426 HydrophobicContact CG2-CB 4.18Å; I421-F429 HydrophobicContact CD1-CB 4.38Å | ||
| 422 | G | 92.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 41 Ų | 41 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | trans | -66.2 | 153.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V420 A424 K425 A426 | V420-G422 PolarHBondContact O-N 3.42Å; G422-A424 PolarHBondContact O-N 2.89Å; G422-K425 PolarHBondContact O-N 3.25Å; G422-K425 VanDerWaalsContact O-N 3.16Å; G422-A426 WeakPolarHBondContact O-CB 3.31Å; G422-A426 PolarHBondContact O-N 3.08Å | ||
| 423 | D | 92.6 | Very high | 92.7 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 60% | 0.599 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.4 | -45.2 | -172.1 | -62.4 | -57.8 | 0 | 0 | 0 | 113.4 | K285 K425 A426 E427 | K285-D423 VanDerWaalsContact CD-OD1 3.27Å; K285-D423 WeakPolarHBondContact CD-OD1 3.32Å; K285-D423 WeakPolarHBondContact CE-OD1 3.4Å; K285-D423 IonicContact NZ-OD1 3.49Å; K285-D423 PolarHBondContact NZ-OD1 3.06Å; K285-D423 IonicContact NZ-OD2 3.09Å; K285-D423 PolarHBondContact NZ-OD2 3.25Å; D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 PolarHBondContact O-N 2.8Å; D423-A426 PolarHBondContact O-N 3.42Å; D423-E427 WeakPolarHBondContact O-CB 3.21Å; D423-E427 PolarHBondContact O-N 2.88Å |
| 424 | A | 90.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 65% | 0.653 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.2 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G422 M428 | G422-A424 PolarHBondContact O-N 2.89Å; A424-M428 WeakPolarHBondContact O-CB 3.36Å; A424-M428 PolarHBondContact O-N 2.93Å |
| 425 | K | 89 | Confident | 91.3 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73 | -36 | 177.1 | -69.5 | -68.2 | -174.4 | 173.6 | 0 | 111.6 | I421 G422 D423 M428 F429 | I421-K425 HydrophobicContact CD1-CB 4.25Å; I421-K425 HydrophobicContact CG1-CB 3.92Å; G422-K425 PolarHBondContact O-N 3.25Å; G422-K425 VanDerWaalsContact O-N 3.16Å; D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 PolarHBondContact O-N 2.8Å; K425-M428 HydrophobicContact CD-SD 4.36Å; K425-M428 PolarHBondContact O-N 3.31Å; K425-F429 VanDerWaalsContact O-CB 3.27Å; K425-F429 WeakPolarHBondContact O-CB 3.44Å; K425-F429 PolarHBondContact O-N 2.98Å |
| 426 | A | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K285 I287 I421 G422 D423 F429 R430 | K285-A426 HydrophobicContact CB-CB 3.84Å; K285-A426 HydrophobicContact CD-CB 3.88Å; I287-A426 HydrophobicContact CD1-CB 4.08Å; I421-A426 HydrophobicContact CD1-CB 4.14Å; I421-A426 HydrophobicContact CG1-CB 4.15Å; I421-A426 HydrophobicContact CG2-CB 4.18Å; G422-A426 WeakPolarHBondContact O-CB 3.31Å; G422-A426 PolarHBondContact O-N 3.08Å; D423-A426 PolarHBondContact O-N 3.42Å; A426-F429 PolarHBondContact O-N 2.95Å; A426-R430 WeakPolarHBondContact O-CG 3.3Å; A426-R430 PolarHBondContact O-N 3.22Å |
| 427 | E | 91.9 | Very high | 89.7 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 174 | -174.9 | 178.7 | -178.6 | 0 | 0 | 112.1 | D423 F429 R430 N431 | D423-E427 WeakPolarHBondContact O-CB 3.21Å; D423-E427 PolarHBondContact O-N 2.88Å; E427-F429 VanDerWaalsContact C-N 3.27Å; E427-F429 PolarHBondContact O-N 3.24Å; E427-R430 PolarHBondContact O-N 2.81Å; E427-N431 WeakPolarHBondContact O-CB 3.4Å; E427-N431 VanDerWaalsContact O-CG 3.31Å; E427-N431 PolarHBondContact O-N 3.4Å; E427-N431 PolarHBondContact O-ND2 2.9Å |
| 428 | M | 87.6 | Confident | 89 | Confident | 61 Ų | 61 | 57 Ų | 57 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 174.1 | -177.8 | -175.5 | 175.4 | 0 | 0 | 111.6 | A424 K425 N431 K432 | A424-M428 WeakPolarHBondContact O-CB 3.36Å; A424-M428 PolarHBondContact O-N 2.93Å; K425-M428 HydrophobicContact CD-SD 4.36Å; K425-M428 PolarHBondContact O-N 3.31Å; M428-N431 PolarHBondContact O-N 2.94Å; M428-K432 HydrophobicContact CE-CD 4.06Å; M428-K432 HydrophobicContact CG-CD 4.29Å; M428-K432 WeakPolarHBondContact O-CB 3.49Å; M428-K432 WeakPolarHBondContact O-CG 3.25Å; M428-K432 PolarHBondContact O-N 3.43Å |
| 429 | F | 89.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.9 | -172 | -84.5 | 0 | 0 | 0 | 111.6 | I287 E373 T376 F378 L380 I421 K425 A426 E427 N431 K432 V433 | I287-F429 HydrophobicContact CD1-CB 4.18Å; I287-F429 HydrophobicContact CD1-CD1 3.67Å; I287-F429 HydrophobicContact CD1-CE1 4.47Å; I287-F429 HydrophobicContact CD1-CG 4.18Å; I287-F429 HydrophobicContact CG1-CD1 4.16Å; I287-F429 HydrophobicContact CG2-CD1 4.1Å; I287-F429 HydrophobicContact CG2-CE1 3.87Å; E373-F429 HydrophobicContact CB-CZ 4.16Å; E373-F429 HydrophobicContact CG-CE1 3.75Å; E373-F429 HydrophobicContact CG-CZ 3.64Å; T376-F429 HydrophobicContact CG2-CE2 4.09Å; T376-F429 HydrophobicContact CG2-CZ 3.95Å; F378-F429 HydrophobicContact CD2-CE2 4.01Å; L380-F429 HydrophobicContact CD1-CD1 4.4Å; L380-F429 HydrophobicContact CD1-CE1 4.3Å; L380-F429 HydrophobicContact CD1-CE2 4.47Å; L380-F429 HydrophobicContact CD1-CZ 4.33Å; I421-F429 HydrophobicContact CD1-CB 4.38Å; K425-F429 VanDerWaalsContact O-CB 3.27Å; K425-F429 WeakPolarHBondContact O-CB 3.44Å; K425-F429 PolarHBondContact O-N 2.98Å; A426-F429 PolarHBondContact O-N 2.95Å; E427-F429 VanDerWaalsContact C-N 3.27Å; E427-F429 PolarHBondContact O-N 3.24Å; F429-N431 VanDerWaalsContact C-N 3.32Å; F429-N431 PolarHBondContact O-N 3.1Å; F429-K432 PolarHBondContact O-N 2.94Å; F429-V433 HydrophobicContact CD1-CB 4.38Å; F429-V433 HydrophobicContact CD2-CG2 4.35Å; F429-V433 HydrophobicContact CE1-CB 4.02Å; F429-V433 HydrophobicContact CE1-CG1 4.2Å; F429-V433 HydrophobicContact CE1-CG2 4.46Å; F429-V433 HydrophobicContact CE2-CG2 4.09Å; F429-V433 HydrophobicContact CZ-CB 4.09Å; F429-V433 HydrophobicContact CZ-CG1 4.07Å; F429-V433 HydrophobicContact CZ-CG2 4.15Å; F429-V433 WeakPolarHBondContact O-CB 3.4Å; F429-V433 PolarHBondContact O-N 3.11Å |
| 430 | R | 90.4 | Very high | 87.8 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 26% | 0.26 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -57.5 | -46 | 176.1 | -71.2 | -171.6 | -51.2 | -89.6 | -2.4 | 111.2 | K285 I287 A426 E427 K432 T434 N435 | K285-R430 PolarHBondContact O-NH1 2.81Å; I287-R430 HydrophobicContact CD1-CG 4.31Å; I287-R430 HydrophobicContact CG1-CG 3.69Å; A426-R430 WeakPolarHBondContact O-CG 3.3Å; A426-R430 PolarHBondContact O-N 3.22Å; E427-R430 PolarHBondContact O-N 2.81Å; R430-K432 PolarHBondContact O-N 2.9Å; R430-T434 PolarHBondContact O-N 2.88Å; R430-N435 VanDerWaalsContact O-CB 3.27Å; R430-N435 WeakPolarHBondContact O-CB 3.33Å; R430-N435 VanDerWaalsContact O-CG 3.24Å; R430-N435 PolarHBondContact O-N 3.16Å |
| 431 | N | 86.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -66.4 | -38 | -178.4 | -71.3 | -21.1 | 0 | 0 | 0 | 113.1 | E427 M428 F429 N435 | E427-N431 WeakPolarHBondContact O-CB 3.4Å; E427-N431 VanDerWaalsContact O-CG 3.31Å; E427-N431 PolarHBondContact O-N 3.4Å; E427-N431 PolarHBondContact O-ND2 2.9Å; M428-N431 PolarHBondContact O-N 2.94Å; F429-N431 VanDerWaalsContact C-N 3.32Å; F429-N431 PolarHBondContact O-N 3.1Å; N431-N435 PolarHBondContact OD1-ND2 2.75Å; N431-N435 VanDerWaalsContact OD1-ND2 3.1Å |
| 432 | K | 82.5 | Confident | 86.9 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -84.5 | -31.4 | -177.8 | -71.9 | -167.6 | 176.3 | -169.2 | 0 | 113.8 | I49 M428 F429 R430 R436 | I49-K432 HydrophobicContact CD1-CB 4.49Å; I49-K432 HydrophobicContact CD1-CD 3.75Å; M428-K432 HydrophobicContact CE-CD 4.06Å; M428-K432 HydrophobicContact CG-CD 4.29Å; M428-K432 WeakPolarHBondContact O-CB 3.49Å; M428-K432 WeakPolarHBondContact O-CG 3.25Å; M428-K432 PolarHBondContact O-N 3.43Å; F429-K432 PolarHBondContact O-N 2.94Å; R430-K432 PolarHBondContact O-N 2.9Å; K432-R436 VanDerWaalsContact O-CD 3.28Å; K432-R436 WeakPolarHBondContact O-CD 3.43Å |
| 433 | V | 84.2 | Confident | 86.7 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -117.8 | -72.1 | -171.6 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | I38 T376 F429 N435 R436 V437 | I38-V433 HydrophobicContact CD1-CG1 4.1Å; T376-V433 HydrophobicContact CG2-CG1 4.03Å; T376-V433 HydrophobicContact CG2-CG2 4.36Å; F429-V433 HydrophobicContact CD1-CB 4.38Å; F429-V433 HydrophobicContact CD2-CG2 4.35Å; F429-V433 HydrophobicContact CE1-CB 4.02Å; F429-V433 HydrophobicContact CE1-CG1 4.2Å; F429-V433 HydrophobicContact CE1-CG2 4.46Å; F429-V433 HydrophobicContact CE2-CG2 4.09Å; F429-V433 HydrophobicContact CZ-CB 4.09Å; F429-V433 HydrophobicContact CZ-CG1 4.07Å; F429-V433 HydrophobicContact CZ-CG2 4.15Å; F429-V433 WeakPolarHBondContact O-CB 3.4Å; F429-V433 PolarHBondContact O-N 3.11Å; V433-N435 PolarHBondContact O-N 3.25Å; V433-R436 PolarHBondContact O-N 3.02Å; V433-V437 WeakPolarHBondContact O-CG2 3.45Å; V433-V437 PolarHBondContact O-N 3.05Å |
| 434 | T | 82.1 | Confident | 86.5 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -57.9 | -49.4 | -168.9 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | R430 R436 V437 Q438 | R430-T434 PolarHBondContact O-N 2.88Å; T434-R436 VanDerWaalsContact C-N 3.34Å; T434-R436 PolarHBondContact O-N 2.74Å; T434-V437 PolarHBondContact O-N 3.35Å; T434-Q438 HydrophobicContact CG2-CG 4.48Å; T434-Q438 WeakPolarHBondContact O-CB 3.47Å; T434-Q438 WeakPolarHBondContact O-CG 3.15Å; T434-Q438 PolarHBondContact O-N 2.67Å |
| 435 | N | 84.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | -176.1 | -68.2 | -5.9 | 0 | 0 | 0 | 111.8 | R430 N431 V433 M439 | R430-N435 VanDerWaalsContact O-CB 3.27Å; R430-N435 WeakPolarHBondContact O-CB 3.33Å; R430-N435 VanDerWaalsContact O-CG 3.24Å; R430-N435 PolarHBondContact O-N 3.16Å; N431-N435 PolarHBondContact OD1-ND2 2.75Å; N431-N435 VanDerWaalsContact OD1-ND2 3.1Å; V433-N435 PolarHBondContact O-N 3.25Å; N435-M439 WeakPolarHBondContact O-CB 3.46Å; N435-M439 PolarHBondContact O-N 3.17Å |
| 436 | R | 81.8 | Confident | 86.6 | Confident | 155 Ų | 155 | 66.1 Ų | 66.1 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.2 | -44.5 | 177.3 | -68.1 | -169.3 | 179.7 | 169.6 | -7.6 | 111.3 | K432 V433 T434 L440 | K432-R436 VanDerWaalsContact O-CD 3.28Å; K432-R436 WeakPolarHBondContact O-CD 3.43Å; V433-R436 PolarHBondContact O-N 3.02Å; T434-R436 VanDerWaalsContact C-N 3.34Å; T434-R436 PolarHBondContact O-N 2.74Å; R436-L440 WeakPolarHBondContact O-CG 3.47Å; R436-L440 PolarHBondContact O-N 2.94Å |
| 437 | V | 82.9 | Confident | 86.6 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.3 | 177 | 0 | 0 | 0 | 0 | 110.6 | I34 I375 V433 T434 L440 S441 | I34-V437 HydrophobicContact CD1-CB 4.5Å; I34-V437 HydrophobicContact CD1-CG1 4.35Å; I34-V437 HydrophobicContact CD1-CG2 4.27Å; I34-V437 HydrophobicContact CG2-CG2 3.9Å; I375-V437 HydrophobicContact CD1-CG1 4.14Å; I375-V437 HydrophobicContact CD1-CG2 4.17Å; V433-V437 WeakPolarHBondContact O-CG2 3.45Å; V433-V437 PolarHBondContact O-N 3.05Å; T434-V437 PolarHBondContact O-N 3.35Å; V437-L440 PolarHBondContact O-N 3.49Å; V437-S441 PolarHBondContact O-N 2.86Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 3.27Å |
| 438 | Q | 82.8 | Confident | 86.7 | Confident | 103 Ų | 103 | 65 Ų | 65 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.7 | -74.4 | -179.8 | -5.1 | 0 | 0 | 112.5 | T434 L440 S441 V442 | T434-Q438 HydrophobicContact CG2-CG 4.48Å; T434-Q438 WeakPolarHBondContact O-CB 3.47Å; T434-Q438 WeakPolarHBondContact O-CG 3.15Å; T434-Q438 PolarHBondContact O-N 2.67Å; Q438-L440 VanDerWaalsContact C-N 3.34Å; Q438-L440 PolarHBondContact O-N 2.93Å; Q438-S441 PolarHBondContact O-N 3.41Å; Q438-V442 WeakPolarHBondContact O-CB 3.37Å; Q438-V442 VanDerWaalsContact O-CG2 3.28Å; Q438-V442 WeakPolarHBondContact O-CG2 3.14Å; Q438-V442 PolarHBondContact O-N 3.18Å |
| 439 | M | 84.8 | Confident | 87 | Confident | 139 Ų | 139 | 67.2 Ų | 67.2 | 69% | 0.685 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 178.8 | -179.1 | -175.7 | 174.4 | 0 | 0 | 111.6 | N435 V442 L443 | N435-M439 WeakPolarHBondContact O-CB 3.46Å; N435-M439 PolarHBondContact O-N 3.17Å; M439-V442 PolarHBondContact O-N 3.45Å; M439-L443 VanDerWaalsContact O-CB 3.27Å; M439-L443 WeakPolarHBondContact O-CB 3.31Å; M439-L443 PolarHBondContact O-N 2.86Å |
| 440 | L | 84.1 | Confident | 87.3 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.9 | -74.5 | 169.6 | 0 | 0 | 0 | 111.5 | I34 R436 V437 Q438 V442 L443 Q444 | I34-L440 HydrophobicContact CD1-CB 4.37Å; I34-L440 HydrophobicContact CD1-CD1 3.63Å; I34-L440 HydrophobicContact CG1-CD1 3.64Å; R436-L440 WeakPolarHBondContact O-CG 3.47Å; R436-L440 PolarHBondContact O-N 2.94Å; V437-L440 PolarHBondContact O-N 3.49Å; Q438-L440 VanDerWaalsContact C-N 3.34Å; Q438-L440 PolarHBondContact O-N 2.93Å; L440-V442 PolarHBondContact O-N 2.99Å; L440-L443 PolarHBondContact O-N 2.73Å; L440-Q444 WeakPolarHBondContact O-CB 3.3Å; L440-Q444 WeakPolarHBondContact O-CG 3.34Å; L440-Q444 PolarHBondContact O-N 2.93Å |
| 441 | S | 84.6 | Confident | 87.4 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | V437 Q438 M445 | V437-S441 PolarHBondContact O-N 2.86Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 3.27Å; Q438-S441 PolarHBondContact O-N 3.41Å; S441-M445 WeakPolarHBondContact O-CE 3.48Å; S441-M445 PolarHBondContact O-N 3.33Å |
| 442 | V | 87.4 | Confident | 87.8 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | Q438 M439 L440 Q444 M445 V446 | Q438-V442 WeakPolarHBondContact O-CB 3.37Å; Q438-V442 VanDerWaalsContact O-CG2 3.28Å; Q438-V442 WeakPolarHBondContact O-CG2 3.14Å; Q438-V442 PolarHBondContact O-N 3.18Å; M439-V442 PolarHBondContact O-N 3.45Å; L440-V442 PolarHBondContact O-N 2.99Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; V442-Q444 PolarHBondContact O-N 2.81Å; V442-M445 PolarHBondContact O-N 2.91Å; V442-V446 HydrophobicContact CG1-CG2 4.18Å; V442-V446 WeakPolarHBondContact O-CB 3.32Å; V442-V446 VanDerWaalsContact O-CG2 3.28Å; V442-V446 WeakPolarHBondContact O-CG2 3.43Å; V442-V446 PolarHBondContact O-N 3.38Å |
| 443 | L | 88.4 | Confident | 88.4 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177 | 179.3 | 62.5 | 0 | 0 | 0 | 111.3 | L26 M439 L440 V446 L447 | L26-L443 HydrophobicContact CD2-CD2 4.02Å; L26-L443 HydrophobicContact CD2-CG 4.2Å; M439-L443 VanDerWaalsContact O-CB 3.27Å; M439-L443 WeakPolarHBondContact O-CB 3.31Å; M439-L443 PolarHBondContact O-N 2.86Å; L440-L443 PolarHBondContact O-N 2.73Å; L443-V446 PolarHBondContact O-N 2.77Å; L443-L447 HydrophobicContact CD1-CD1 4.09Å; L443-L447 HydrophobicContact CD1-CG 4.21Å; L443-L447 HydrophobicContact CG-CD1 3.99Å; L443-L447 WeakPolarHBondContact O-CB 2.86Å; L443-L447 VanDerWaalsContact O-CG 3.25Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.02Å |
| 444 | Q | 88.6 | Confident | 88.9 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.7 | -51.1 | 174.5 | -71.4 | 162.1 | 0.7 | 0 | 0 | 111 | L26 I27 L440 V442 V446 L447 I448 | L26-Q444 HydrophobicContact CB-CG 4.12Å; L26-Q444 HydrophobicContact CD2-CG 4Å; L26-Q444 HydrophobicContact CG-CG 4.01Å; L26-Q444 PolarHBondContact O-NE2 2.88Å; I27-Q444 HydrophobicContact CG1-CB 4.25Å; I27-Q444 HydrophobicContact CG1-CG 4.14Å; L440-Q444 WeakPolarHBondContact O-CB 3.3Å; L440-Q444 WeakPolarHBondContact O-CG 3.34Å; L440-Q444 PolarHBondContact O-N 2.93Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; V442-Q444 PolarHBondContact O-N 2.81Å; Q444-V446 PolarHBondContact O-N 2.82Å; Q444-L447 PolarHBondContact O-N 2.92Å; Q444-I448 VanDerWaalsContact O-CG1 3.31Å; Q444-I448 WeakPolarHBondContact O-CG1 3.45Å; Q444-I448 PolarHBondContact O-N 2.62Å |
| 445 | M | 89 | Confident | 89.5 | Confident | 108 Ų | 108 | 69.6 Ų | 69.6 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 178.3 | -80.2 | -173.5 | -83.6 | 0 | 0 | 112.4 | S441 V442 I448 I449 | S441-M445 WeakPolarHBondContact O-CE 3.48Å; S441-M445 PolarHBondContact O-N 3.33Å; V442-M445 PolarHBondContact O-N 2.91Å; M445-I448 PolarHBondContact O-N 3.48Å; M445-I449 WeakPolarHBondContact O-CB 3.49Å; M445-I449 VanDerWaalsContact O-CG1 3.24Å; M445-I449 WeakPolarHBondContact O-CG1 3.49Å; M445-I449 PolarHBondContact O-N 3.09Å |
| 446 | V | 92.8 | Very high | 90 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.3 | 169.2 | 0 | 0 | 0 | 0 | 111 | V442 L443 Q444 I448 I449 A450 | V442-V446 HydrophobicContact CG1-CG2 4.18Å; V442-V446 WeakPolarHBondContact O-CB 3.32Å; V442-V446 VanDerWaalsContact O-CG2 3.28Å; V442-V446 WeakPolarHBondContact O-CG2 3.43Å; V442-V446 PolarHBondContact O-N 3.38Å; L443-V446 PolarHBondContact O-N 2.77Å; Q444-V446 PolarHBondContact O-N 2.82Å; V446-I448 VanDerWaalsContact C-N 3.34Å; V446-I448 PolarHBondContact O-N 3.45Å; V446-I449 PolarHBondContact O-N 3.4Å; V446-A450 WeakPolarHBondContact O-CB 3.45Å; V446-A450 PolarHBondContact O-N 3.32Å |
| 447 | L | 92.8 | Very high | 90.5 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.5 | -73.5 | 169 | 0 | 0 | 0 | 112 | L19 F22 L26 L443 Q444 G451 | L19-L447 HydrophobicContact CD2-CD2 4.08Å; F22-L447 HydrophobicContact CD1-CD1 3.92Å; F22-L447 HydrophobicContact CE1-CD1 4.2Å; L26-L447 HydrophobicContact CD2-CD1 4.02Å; L443-L447 HydrophobicContact CD1-CD1 4.09Å; L443-L447 HydrophobicContact CD1-CG 4.21Å; L443-L447 HydrophobicContact CG-CD1 3.99Å; L443-L447 WeakPolarHBondContact O-CB 2.86Å; L443-L447 VanDerWaalsContact O-CG 3.25Å; L443-L447 WeakPolarHBondContact O-CG 3.46Å; L443-L447 PolarHBondContact O-N 3.02Å; Q444-L447 PolarHBondContact O-N 2.92Å; L447-G451 WeakPolarHBondContact O-CA 3.39Å; L447-G451 PolarHBondContact O-N 2.79Å |
| 448 | I | 93.4 | Very high | 91 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 28% | 0.282 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.7 | -49.9 | 178.8 | -67.5 | 169 | 0 | 0 | 0 | 110.9 | I27 Q444 M445 V446 S452 | I27-I448 HydrophobicContact CD1-CD1 3.73Å; Q444-I448 VanDerWaalsContact O-CG1 3.31Å; Q444-I448 WeakPolarHBondContact O-CG1 3.45Å; Q444-I448 PolarHBondContact O-N 2.62Å; M445-I448 PolarHBondContact O-N 3.48Å; V446-I448 VanDerWaalsContact C-N 3.34Å; V446-I448 PolarHBondContact O-N 3.45Å; I448-S452 WeakPolarHBondContact O-CB 3.48Å; I448-S452 PolarHBondContact O-N 2.99Å; I448-S452 PolarHBondContact O-OG 2.69Å |
| 449 | I | 94.2 | Very high | 91.4 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.1 | -52.4 | -177.4 | -66.6 | 167.8 | 0 | 0 | 0 | 110.2 | M445 V446 G451 S452 V453 | M445-I449 WeakPolarHBondContact O-CB 3.49Å; M445-I449 VanDerWaalsContact O-CG1 3.24Å; M445-I449 WeakPolarHBondContact O-CG1 3.49Å; M445-I449 PolarHBondContact O-N 3.09Å; V446-I449 PolarHBondContact O-N 3.4Å; I449-G451 PolarHBondContact O-N 2.89Å; I449-S452 PolarHBondContact O-N 2.88Å; I449-V453 HydrophobicContact CG2-CG2 4.44Å; I449-V453 WeakPolarHBondContact O-CB 3.29Å; I449-V453 VanDerWaalsContact O-CG2 3.27Å; I449-V453 WeakPolarHBondContact O-CG2 3.45Å; I449-V453 PolarHBondContact O-N 3Å |
| 450 | A | 94.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V446 V453 L454 | V446-A450 WeakPolarHBondContact O-CB 3.45Å; V446-A450 PolarHBondContact O-N 3.32Å; A450-V453 PolarHBondContact O-N 3.12Å; A450-L454 WeakPolarHBondContact O-CB 3.15Å; A450-L454 VanDerWaalsContact O-CG 3.28Å; A450-L454 WeakPolarHBondContact O-CG 3.42Å; A450-L454 PolarHBondContact O-N 2.85Å |
| 451 | G | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | G16 L447 I449 L454 F455 | G16-G451 CarbonylContact C-O 3.33Å; G16-G451 WeakPolarHBondContact CA-O 3.41Å; G16-G451 CarbonylContact O-C 3.53Å; G16-G451 VanDerWaalsContact O-CA 3.25Å; G16-G451 WeakPolarHBondContact O-CA 3.39Å; G16-G451 VanDerWaalsContact O-O 3.14Å; L447-G451 WeakPolarHBondContact O-CA 3.39Å; L447-G451 PolarHBondContact O-N 2.79Å; I449-G451 PolarHBondContact O-N 2.89Å; G451-L454 PolarHBondContact O-N 2.84Å; G451-F455 WeakPolarHBondContact O-CB 3.46Å; G451-F455 PolarHBondContact O-N 3.01Å |
| 452 | S | 93.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 63 Ų | 63 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | I448 I449 F455 L456 | I448-S452 WeakPolarHBondContact O-CB 3.48Å; I448-S452 PolarHBondContact O-N 2.99Å; I448-S452 PolarHBondContact O-OG 2.69Å; I449-S452 PolarHBondContact O-N 2.88Å; S452-F455 PolarHBondContact O-N 3.4Å; S452-L456 WeakPolarHBondContact O-CB 3.47Å; S452-L456 VanDerWaalsContact O-CG 3.32Å; S452-L456 WeakPolarHBondContact O-CG 3.36Å; S452-L456 PolarHBondContact O-N 2.99Å |
| 453 | V | 95.8 | Very high | 92.1 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I449 A450 L456 A457 | I449-V453 HydrophobicContact CG2-CG2 4.44Å; I449-V453 WeakPolarHBondContact O-CB 3.29Å; I449-V453 VanDerWaalsContact O-CG2 3.27Å; I449-V453 WeakPolarHBondContact O-CG2 3.45Å; I449-V453 PolarHBondContact O-N 3Å; A450-V453 PolarHBondContact O-N 3.12Å; V453-L456 PolarHBondContact O-N 3.39Å; V453-A457 VanDerWaalsContact O-CB 3.27Å; V453-A457 WeakPolarHBondContact O-CB 3.49Å; V453-A457 PolarHBondContact O-N 3.48Å |
| 454 | L | 94.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 176.1 | -76.1 | 166.9 | 0 | 0 | 0 | 111 | L19 A450 G451 L456 A457 F458 | L19-L454 HydrophobicContact CD1-CD1 4.09Å; A450-L454 WeakPolarHBondContact O-CB 3.15Å; A450-L454 VanDerWaalsContact O-CG 3.28Å; A450-L454 WeakPolarHBondContact O-CG 3.42Å; A450-L454 PolarHBondContact O-N 2.85Å; G451-L454 PolarHBondContact O-N 2.84Å; L454-L456 PolarHBondContact O-N 3.16Å; L454-A457 PolarHBondContact O-N 3.07Å; L454-F458 HydrophobicContact CD2-CD2 4.36Å; L454-F458 HydrophobicContact CD2-CE2 3.89Å; L454-F458 WeakPolarHBondContact O-CB 3.24Å; L454-F458 VanDerWaalsContact O-CD2 3.26Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 2.75Å |
| 455 | F | 94.5 | Very high | 91.7 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.2 | -52 | 177.8 | 175.7 | -103.5 | 0 | 0 | 0 | 111.5 | A13 A17 G451 S452 M459 | A13-F455 HydrophobicContact CB-CD2 4.23Å; A13-F455 WeakPolarHBondContact O-CD2 3.22Å; A17-F455 HydrophobicContact CB-CD2 3.81Å; A17-F455 HydrophobicContact CB-CE2 4.18Å; G451-F455 WeakPolarHBondContact O-CB 3.46Å; G451-F455 PolarHBondContact O-N 3.01Å; S452-F455 PolarHBondContact O-N 3.4Å; F455-M459 HydrophobicContact CD1-CG 4.49Å; F455-M459 HydrophobicContact CD2-CG 4.08Å; F455-M459 HydrophobicContact CE1-CG 4.2Å; F455-M459 HydrophobicContact CE2-CG 3.76Å; F455-M459 HydrophobicContact CE2-SD 4.29Å; F455-M459 HydrophobicContact CG-CG 4.45Å; F455-M459 HydrophobicContact CZ-CG 3.83Å; F455-M459 VanDerWaalsContact O-CB 3.28Å; F455-M459 WeakPolarHBondContact O-CB 3.46Å; F455-M459 WeakPolarHBondContact O-CG 3.38Å; F455-M459 PolarHBondContact O-N 3.37Å |
| 456 | L | 94.4 | Very high | 91.3 | Very high | 106 Ų | 106 | 66.9 Ų | 66.9 | 56% | 0.555 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | -179.3 | -70 | 172 | 0 | 0 | 0 | 112.1 | S452 V453 L454 F458 M459 V460 | S452-L456 WeakPolarHBondContact O-CB 3.47Å; S452-L456 VanDerWaalsContact O-CG 3.32Å; S452-L456 WeakPolarHBondContact O-CG 3.36Å; S452-L456 PolarHBondContact O-N 2.99Å; V453-L456 PolarHBondContact O-N 3.39Å; L454-L456 PolarHBondContact O-N 3.16Å; L456-F458 PolarHBondContact O-N 3.3Å; L456-M459 PolarHBondContact O-N 2.94Å; L456-V460 WeakPolarHBondContact O-CB 3.38Å; L456-V460 VanDerWaalsContact O-CG2 3.25Å; L456-V460 WeakPolarHBondContact O-CG2 3.47Å; L456-V460 PolarHBondContact O-N 3.09Å |
| 457 | A | 93.6 | Very high | 90.3 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V453 L454 S461 | V453-A457 VanDerWaalsContact O-CB 3.27Å; V453-A457 WeakPolarHBondContact O-CB 3.49Å; V453-A457 PolarHBondContact O-N 3.48Å; L454-A457 PolarHBondContact O-N 3.07Å; A457-S461 VanDerWaalsContact O-CB 3.28Å; A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.02Å; A457-S461 PolarHBondContact O-OG 3.36Å |
| 458 | F | 93.1 | Very high | 89 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 178.9 | -82.3 | -73.9 | 0 | 0 | 0 | 112.5 | L9 A13 L454 L456 S461 Y462 | L9-F458 HydrophobicContact CD2-CD1 3.76Å; L9-F458 HydrophobicContact CD2-CE1 4.19Å; A13-F458 HydrophobicContact CB-CB 3.99Å; L454-F458 HydrophobicContact CD2-CD2 4.36Å; L454-F458 HydrophobicContact CD2-CE2 3.89Å; L454-F458 WeakPolarHBondContact O-CB 3.24Å; L454-F458 VanDerWaalsContact O-CD2 3.26Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 2.75Å; L456-F458 PolarHBondContact O-N 3.3Å; F458-S461 PolarHBondContact O-N 3.23Å; F458-Y462 VanDerWaalsContact O-CB 3.3Å; F458-Y462 WeakPolarHBondContact O-CB 3.5Å; F458-Y462 PolarHBondContact O-N 2.98Å |
| 459 | M | 91 | Very high | 87.3 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 22% | 0.222 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.3 | -75.1 | -62.4 | -64.9 | 0 | 0 | 112.2 | A13 F455 L456 S461 Y462 F463 | A13-M459 HydrophobicContact CB-CG 3.83Å; A13-M459 HydrophobicContact CB-SD 3.74Å; F455-M459 HydrophobicContact CD1-CG 4.49Å; F455-M459 HydrophobicContact CD2-CG 4.08Å; F455-M459 HydrophobicContact CE1-CG 4.2Å; F455-M459 HydrophobicContact CE2-CG 3.76Å; F455-M459 HydrophobicContact CE2-SD 4.29Å; F455-M459 HydrophobicContact CG-CG 4.45Å; F455-M459 HydrophobicContact CZ-CG 3.83Å; F455-M459 VanDerWaalsContact O-CB 3.28Å; F455-M459 WeakPolarHBondContact O-CB 3.46Å; F455-M459 WeakPolarHBondContact O-CG 3.38Å; F455-M459 PolarHBondContact O-N 3.37Å; L456-M459 PolarHBondContact O-N 2.94Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.26Å; M459-Y462 WeakPolarHBondContact O-CB 3.14Å; M459-Y462 PolarHBondContact O-N 3.05Å; M459-F463 HydrophobicContact CE-CD2 4.44Å; M459-F463 HydrophobicContact CE-CE2 3.51Å; M459-F463 HydrophobicContact CE-CZ 3.92Å; M459-F463 WeakPolarHBondContact O-CD2 3.17Å; M459-F463 PolarHBondContact O-N 3.4Å |
| 460 | V | 91.8 | Very high | 85.5 | Confident | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | L456 Y462 F463 I464 | L456-V460 WeakPolarHBondContact O-CB 3.38Å; L456-V460 VanDerWaalsContact O-CG2 3.25Å; L456-V460 WeakPolarHBondContact O-CG2 3.47Å; L456-V460 PolarHBondContact O-N 3.09Å; V460-Y462 VanDerWaalsContact C-N 3.31Å; V460-Y462 PolarHBondContact O-N 3.44Å; V460-F463 PolarHBondContact O-N 3.45Å; V460-I464 HydrophobicContact CG1-CD1 3.63Å; V460-I464 HydrophobicContact CG1-CG1 4.35Å; V460-I464 VanDerWaalsContact O-CG1 3.29Å; V460-I464 WeakPolarHBondContact O-CG1 3.37Å; V460-I464 PolarHBondContact O-N 3.41Å |
| 461 | S | 88.8 | Confident | 83.1 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61 | -39 | 177 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | A457 F458 M459 C465 | A457-S461 VanDerWaalsContact O-CB 3.28Å; A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.02Å; A457-S461 PolarHBondContact O-OG 3.36Å; F458-S461 PolarHBondContact O-N 3.23Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.26Å; S461-C465 VanDerWaalsContact O-CB 3.29Å; S461-C465 WeakPolarHBondContact O-CB 3.33Å; S461-C465 PolarHBondContact O-N 3.47Å; S461-C465 PolarHBondContact O-SG 2.97Å |
| 462 | Y | 89 | Confident | 82.5 | Confident | 40 Ų | 40 | 94 Ų | 94 | 16% | 0.157 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.8 | 176.5 | -94 | 0 | 0 | 0 | 111.7 | N6 L9 L10 F458 M459 V460 C465 R466 | N6-Y462 HydrophobicContact CB-CE2 4.14Å; L9-Y462 HydrophobicContact CB-CD2 4.25Å; L10-Y462 HydrophobicContact CD1-CE2 4.47Å; F458-Y462 VanDerWaalsContact O-CB 3.3Å; F458-Y462 WeakPolarHBondContact O-CB 3.5Å; F458-Y462 PolarHBondContact O-N 2.98Å; M459-Y462 WeakPolarHBondContact O-CB 3.14Å; M459-Y462 PolarHBondContact O-N 3.05Å; V460-Y462 VanDerWaalsContact C-N 3.31Å; V460-Y462 PolarHBondContact O-N 3.44Å; Y462-C465 PolarHBondContact O-N 2.83Å; Y462-R466 WeakPolarHBondContact O-CB 3.24Å; Y462-R466 PolarHBondContact O-N 3.09Å |
| 463 | F | 87 | Confident | 81.9 | Confident | 119 Ų | 119 | 96.5 Ų | 96.5 | 52% | 0.522 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 178.7 | -75.4 | -63.9 | 0 | 0 | 0 | 112.6 | M459 V460 R466 T467 | M459-F463 HydrophobicContact CE-CD2 4.44Å; M459-F463 HydrophobicContact CE-CE2 3.51Å; M459-F463 HydrophobicContact CE-CZ 3.92Å; M459-F463 WeakPolarHBondContact O-CD2 3.17Å; M459-F463 PolarHBondContact O-N 3.4Å; V460-F463 PolarHBondContact O-N 3.45Å; F463-R466 PolarHBondContact O-N 3.09Å; F463-T467 PolarHBondContact O-N 3Å; F463-T467 PolarHBondContact O-OG1 3.07Å |
| 464 | I | 86.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.5 | -66.6 | 169.3 | 0 | 0 | 0 | 110.9 | V460 R466 T467 K468 | V460-I464 HydrophobicContact CG1-CD1 3.63Å; V460-I464 HydrophobicContact CG1-CG1 4.35Å; V460-I464 VanDerWaalsContact O-CG1 3.29Å; V460-I464 WeakPolarHBondContact O-CG1 3.37Å; V460-I464 PolarHBondContact O-N 3.41Å; I464-R466 VanDerWaalsContact C-N 3.29Å; I464-R466 PolarHBondContact O-N 3.14Å; I464-T467 WeakPolarHBondContact CA-OG1 3.23Å; I464-T467 PolarHBondContact O-OG1 3.2Å; I464-T467 VanDerWaalsContact O-OG1 3.11Å; I464-K468 PolarHBondContact O-N 3.5Å; I464-K468 VanDerWaalsContact O-N 3.13Å |
| 465 | C | 81.3 | Confident | 80.4 | Confident | 26 Ų | 26 | 98.6 Ų | 98.6 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.3 | -31.9 | 178.8 | -76.6 | 0 | 0 | 0 | 0 | 112.9 | L9 S461 Y462 | L9-C465 HydrophobicContact CD1-CB 4.17Å; S461-C465 VanDerWaalsContact O-CB 3.29Å; S461-C465 WeakPolarHBondContact O-CB 3.33Å; S461-C465 PolarHBondContact O-N 3.47Å; S461-C465 PolarHBondContact O-SG 2.97Å; Y462-C465 PolarHBondContact O-N 2.83Å |
| 466 | R | 79.1 | Confident | 79.5 | Confident | 132 Ų | 132 | 99.8 Ų | 99.8 | 50% | 0.498 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.2 | -41.1 | 179.1 | -163.3 | 176.7 | 178.1 | -177.1 | -2.9 | 111.8 | Y462 F463 I464 K469 L470 | Y462-R466 WeakPolarHBondContact O-CB 3.24Å; Y462-R466 PolarHBondContact O-N 3.09Å; F463-R466 PolarHBondContact O-N 3.09Å; I464-R466 VanDerWaalsContact C-N 3.29Å; I464-R466 PolarHBondContact O-N 3.14Å; R466-K469 WeakPolarHBondContact O-CB 3.41Å; R466-K469 PolarHBondContact O-N 3.3Å; R466-K469 VanDerWaalsContact O-N 3.12Å; R466-L470 PolarHBondContact O-N 2.9Å |
| 467 | T | 72.7 | Confident | 78.5 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 175.7 | 29.6 | 0 | 0 | 0 | 0 | 112.6 | F463 I464 K469 L470 K471 | F463-T467 PolarHBondContact O-N 3Å; F463-T467 PolarHBondContact O-OG1 3.07Å; I464-T467 WeakPolarHBondContact CA-OG1 3.23Å; I464-T467 PolarHBondContact O-OG1 3.2Å; I464-T467 VanDerWaalsContact O-OG1 3.11Å; T467-K469 PolarHBondContact O-N 3.39Å; T467-L470 PolarHBondContact O-N 3.31Å; T467-K471 PolarHBondContact O-N 2.85Å |
| 468 | K | 66.1 | Low | 77.5 | Confident | 164 Ų | 164 | 102.9 Ų | 102.9 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.1 | 172.5 | -78.8 | -171.9 | 177.9 | -176.5 | 0 | 114.8 | I464 | I464-K468 PolarHBondContact O-N 3.5Å; I464-K468 VanDerWaalsContact O-N 3.13Å |
| 469 | K | 57.9 | Low | 76.3 | Confident | 149 Ų | 149 | 105.5 Ų | 105.5 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.4 | 177.8 | -120.7 | -172.2 | -179.4 | -170.6 | 0 | 113.3 | R466 T467 | R466-K469 WeakPolarHBondContact O-CB 3.41Å; R466-K469 PolarHBondContact O-N 3.3Å; R466-K469 VanDerWaalsContact O-N 3.12Å; T467-K469 PolarHBondContact O-N 3.39Å |
| 470 | L | 54.9 | Low | 75 | Confident | 146 Ų | 146 | 110.6 Ų | 110.6 | 76% | 0.764 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -10.8 | 179.8 | -88.7 | 149.8 | 0 | 0 | 0 | 112.5 | R466 T467 | R466-L470 PolarHBondContact O-N 2.9Å; T467-L470 PolarHBondContact O-N 3.31Å |
| 471 | K | 44.9 | Very low | 73.5 | Confident | 243 Ų | 243 | 113.4 Ų | 113.4 | 100% | 1.057 | 54% | 0.536 | S | S | * | . | trans | -94 | 0 | 158.5 | -73.6 | -176 | 175.4 | -175.4 | 0 | 108 | T467 | T467-K471 PolarHBondContact O-N 2.85Š|
Retrieved 471 of 471 residues in 225 ms
(Link to these results)