| 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 | 59.2 | Low | 79.5 | Confident | 192 Ų | 192 | 101.1 Ų | 101.1 | 95% | 0.946 | 58% | 0.578 | S | S | * | * | 0 | -43.3 | 0 | -170.8 | 177.1 | -82.6 | 0 | 0 | 110.4 | T3 V4 V5 | M1-T3 PolarHBondContact O-N 2.71Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V5 PolarHBondContact O-N 3.37Å | |||
| 2 | E | 67 | Low | 79.9 | Confident | 156 Ų | 156 | 102.7 Ų | 102.7 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.4 | -39.2 | 178.9 | -70 | 142 | 120.8 | 0 | 0 | 114.5 | V4 V5 I6 | E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.19Å; E2-V5 PolarHBondContact O-N 2.74Å; E2-I6 VanDerWaalsContact O-CG1 3.31Å; E2-I6 WeakPolarHBondContact O-CG1 2.98Å; E2-I6 PolarHBondContact O-N 2.79Å |
| 3 | T | 76.9 | Confident | 80.1 | Confident | 102 Ų | 102 | 98.9 Ų | 98.9 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61 | -38.4 | 177.8 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | M1 I6 V7 | M1-T3 PolarHBondContact O-N 2.71Å; T3-I6 PolarHBondContact O-N 3.44Å; T3-V7 VanDerWaalsContact O-CG2 3.26Å; T3-V7 WeakPolarHBondContact O-CG2 3.13Å; T3-V7 PolarHBondContact O-N 2.79Å |
| 4 | V | 80.7 | Confident | 80.5 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -38.6 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | M1 E2 V7 A8 | M1-V4 PolarHBondContact O-N 3.02Å; E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.19Å; V4-V7 PolarHBondContact O-N 3.34Å; V4-A8 WeakPolarHBondContact O-CB 3.5Å; V4-A8 PolarHBondContact O-N 3.36Å |
| 5 | V | 79.8 | Confident | 81.1 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -43.2 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | M1 E2 V7 A8 I9 | M1-V5 PolarHBondContact O-N 3.37Å; E2-V5 PolarHBondContact O-N 2.74Å; V5-V7 VanDerWaalsContact C-N 3.33Å; V5-V7 PolarHBondContact O-N 3.42Å; V5-A8 PolarHBondContact O-N 3.23Å; V5-I9 HydrophobicContact CG1-CD1 3.78Å; V5-I9 HydrophobicContact CG1-CG1 4.44Å; V5-I9 WeakPolarHBondContact O-CG1 3.2Å; V5-I9 PolarHBondContact O-N 2.83Å |
| 6 | I | 81.5 | Confident | 81.3 | Confident | 119 Ų | 119 | 101.4 Ų | 101.4 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.5 | -43.3 | 177.3 | -66.9 | 164.7 | 0 | 0 | 0 | 110.9 | E2 T3 G10 | E2-I6 VanDerWaalsContact O-CG1 3.31Å; E2-I6 WeakPolarHBondContact O-CG1 2.98Å; E2-I6 PolarHBondContact O-N 2.79Å; T3-I6 PolarHBondContact O-N 3.44Å; I6-G10 PolarHBondContact O-N 3.38Å |
| 7 | V | 86.3 | Confident | 81.5 | Confident | 97 Ų | 97 | 102 Ų | 102 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.9 | -43.5 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | T3 V4 V5 G10 V11 | T3-V7 VanDerWaalsContact O-CG2 3.26Å; T3-V7 WeakPolarHBondContact O-CG2 3.13Å; T3-V7 PolarHBondContact O-N 2.79Å; V4-V7 PolarHBondContact O-N 3.34Å; V5-V7 VanDerWaalsContact C-N 3.33Å; V5-V7 PolarHBondContact O-N 3.42Å; V7-G10 PolarHBondContact O-N 3.31Å; V7-V11 HydrophobicContact CG1-CG2 4.46Å; V7-V11 WeakPolarHBondContact O-CG2 3.23Å; V7-V11 PolarHBondContact O-N 2.71Å |
| 8 | A | 82.2 | Confident | 81.3 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 V5 G10 V11 L12 | V4-A8 WeakPolarHBondContact O-CB 3.5Å; V4-A8 PolarHBondContact O-N 3.36Å; V5-A8 PolarHBondContact O-N 3.23Å; A8-G10 VanDerWaalsContact C-N 3.32Å; A8-G10 PolarHBondContact O-N 2.86Å; A8-V11 PolarHBondContact O-N 3.38Å; A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 2.86Å |
| 9 | I | 83.4 | Confident | 81.3 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 55% | 0.554 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.3 | -41.6 | 176.4 | -65.3 | 167.8 | 0 | 0 | 0 | 110.3 | V5 L12 A13 | V5-I9 HydrophobicContact CG1-CD1 3.78Å; V5-I9 HydrophobicContact CG1-CG1 4.44Å; V5-I9 WeakPolarHBondContact O-CG1 3.2Å; V5-I9 PolarHBondContact O-N 2.83Å; I9-L12 PolarHBondContact O-N 3.44Å; I9-A13 VanDerWaalsContact O-CB 3.27Å; I9-A13 WeakPolarHBondContact O-CB 3.1Å; I9-A13 PolarHBondContact O-N 3.28Å |
| 10 | G | 87.5 | Confident | 81.2 | Confident | 34 Ų | 34 | 99.4 Ų | 99.4 | 35% | 0.351 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.4 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I6 V7 A8 L12 A13 T14 | I6-G10 PolarHBondContact O-N 3.38Å; V7-G10 PolarHBondContact O-N 3.31Å; A8-G10 VanDerWaalsContact C-N 3.32Å; A8-G10 PolarHBondContact O-N 2.86Å; G10-L12 PolarHBondContact O-N 2.86Å; G10-A13 PolarHBondContact O-N 2.86Å; G10-T14 VanDerWaalsContact O-CG2 3.31Å; G10-T14 WeakPolarHBondContact O-CG2 3.49Å; G10-T14 PolarHBondContact O-N 3.27Å; G10-T14 PolarHBondContact O-OG1 2.84Å |
| 11 | V | 90.1 | Very high | 80.9 | Confident | 75 Ų | 75 | 98.4 Ų | 98.4 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -47.3 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 111 | V7 A8 A13 T14 I15 | V7-V11 HydrophobicContact CG1-CG2 4.46Å; V7-V11 WeakPolarHBondContact O-CG2 3.23Å; V7-V11 PolarHBondContact O-N 2.71Å; A8-V11 PolarHBondContact O-N 3.38Å; V11-A13 VanDerWaalsContact C-N 3.35Å; V11-A13 PolarHBondContact O-N 3.47Å; V11-T14 PolarHBondContact O-N 3.48Å; V11-T14 PolarHBondContact O-OG1 3.49Å; V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 2.8Å |
| 12 | L | 84.5 | Confident | 81.5 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 63% | 0.628 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 178.3 | -70.8 | 172.2 | 0 | 0 | 0 | 112.3 | A8 I9 G10 T14 I15 F16 | A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.44Å; G10-L12 PolarHBondContact O-N 2.86Å; L12-T14 PolarHBondContact O-N 3.44Å; L12-I15 PolarHBondContact O-N 2.76Å; L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.21Å; L12-F16 PolarHBondContact O-N 3.45Å |
| 13 | A | 82.3 | Confident | 81.8 | Confident | 54 Ų | 54 | 89.5 Ų | 89.5 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I9 G10 V11 F16 L17 | I9-A13 VanDerWaalsContact O-CB 3.27Å; I9-A13 WeakPolarHBondContact O-CB 3.1Å; I9-A13 PolarHBondContact O-N 3.28Å; G10-A13 PolarHBondContact O-N 2.86Å; V11-A13 VanDerWaalsContact C-N 3.35Å; V11-A13 PolarHBondContact O-N 3.47Å; A13-F16 PolarHBondContact O-N 3.43Å; A13-L17 VanDerWaalsContact O-CB 3.31Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.83Å |
| 14 | T | 85.4 | Confident | 81.6 | Confident | 92 Ų | 92 | 87.1 Ų | 87.1 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | G10 V11 L12 L17 A18 | G10-T14 VanDerWaalsContact O-CG2 3.31Å; G10-T14 WeakPolarHBondContact O-CG2 3.49Å; G10-T14 PolarHBondContact O-N 3.27Å; G10-T14 PolarHBondContact O-OG1 2.84Å; V11-T14 PolarHBondContact O-N 3.48Å; V11-T14 PolarHBondContact O-OG1 3.49Å; L12-T14 PolarHBondContact O-N 3.44Å; T14-L17 PolarHBondContact O-N 3.03Å; T14-A18 WeakPolarHBondContact O-CB 3.29Å; T14-A18 PolarHBondContact O-N 2.95Å |
| 15 | I | 90.1 | Very high | 81.1 | Confident | 98 Ų | 98 | 86 Ų | 86 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177.9 | -65.3 | 167.2 | 0 | 0 | 0 | 110 | V11 L12 A18 S19 | V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 2.8Å; L12-I15 PolarHBondContact O-N 2.76Å; I15-A18 PolarHBondContact O-N 3.18Å; I15-S19 WeakPolarHBondContact O-CB 3.25Å; I15-S19 PolarHBondContact O-N 2.91Å |
| 16 | F | 83.3 | Confident | 80.6 | Confident | 146 Ų | 146 | 86.2 Ų | 86.2 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 178.5 | -178.2 | -97.7 | 0 | 0 | 0 | 111.7 | L12 A13 A18 S19 F20 | L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.21Å; L12-F16 PolarHBondContact O-N 3.45Å; A13-F16 PolarHBondContact O-N 3.43Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 3.47Å; F16-S19 PolarHBondContact O-N 3.02Å; F16-F20 WeakPolarHBondContact O-CB 3.28Å; F16-F20 PolarHBondContact O-N 3.18Å |
| 17 | L | 85 | Confident | 79.6 | Confident | 112 Ų | 112 | 83.9 Ų | 83.9 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | -179.9 | -148.7 | 75.6 | 0 | 0 | 0 | 111.3 | A13 T14 F20 V21 | A13-L17 VanDerWaalsContact O-CB 3.31Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.83Å; T14-L17 PolarHBondContact O-N 3.03Å; L17-F20 PolarHBondContact O-N 3.14Å; L17-V21 WeakPolarHBondContact O-CB 3.24Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.82Å |
| 18 | A | 77.8 | Confident | 78.4 | Confident | 64 Ų | 64 | 87.6 Ų | 87.6 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T14 I15 F16 F20 V21 A22 | T14-A18 WeakPolarHBondContact O-CB 3.29Å; T14-A18 PolarHBondContact O-N 2.95Å; I15-A18 PolarHBondContact O-N 3.18Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 3.47Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.41Å; A18-V21 PolarHBondContact O-N 3.36Å; A18-A22 VanDerWaalsContact O-CB 3.29Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.48Å |
| 19 | S | 81.7 | Confident | 77.2 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.2 | -93.2 | 0 | 0 | 0 | 0 | 112.2 | I15 F16 A22 L23 | I15-S19 WeakPolarHBondContact O-CB 3.25Å; I15-S19 PolarHBondContact O-N 2.91Å; F16-S19 PolarHBondContact O-N 3.02Å; S19-A22 PolarHBondContact O-N 3.41Å; S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 PolarHBondContact O-N 2.89Å |
| 20 | F | 78.8 | Confident | 75.9 | Confident | 112 Ų | 112 | 94.1 Ų | 94.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 178.2 | -177.4 | -102.5 | 0 | 0 | 0 | 111.7 | F16 L17 A18 L23 V24 | F16-F20 WeakPolarHBondContact O-CB 3.28Å; F16-F20 PolarHBondContact O-N 3.18Å; L17-F20 PolarHBondContact O-N 3.14Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.41Å; F20-L23 PolarHBondContact O-N 3.36Å; F20-V24 HydrophobicContact CD1-CG2 4.17Å; F20-V24 HydrophobicContact CE1-CG2 3.79Å; F20-V24 HydrophobicContact CE2-CG2 4.3Å; F20-V24 HydrophobicContact CZ-CG2 3.87Å; F20-V24 WeakPolarHBondContact O-CB 3.28Å; F20-V24 VanDerWaalsContact O-CG2 3.28Å; F20-V24 WeakPolarHBondContact O-CG2 3.48Å; F20-V24 PolarHBondContact O-N 2.84Å |
| 21 | V | 75.1 | Confident | 74.1 | Confident | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L17 A18 L23 V24 V25 | L17-V21 WeakPolarHBondContact O-CB 3.24Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.82Å; A18-V21 PolarHBondContact O-N 3.36Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.46Å; V21-V24 PolarHBondContact O-N 2.9Å; V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 WeakPolarHBondContact O-CB 3.45Å; V21-V25 VanDerWaalsContact O-CG2 3.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3.23Å |
| 22 | A | 72.6 | Confident | 72 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A18 S19 V25 V26 | A18-A22 VanDerWaalsContact O-CB 3.29Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.48Å; S19-A22 PolarHBondContact O-N 3.41Å; A22-V25 PolarHBondContact O-N 3.33Å; A22-V26 WeakPolarHBondContact O-CB 3.31Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.31Å; A22-V26 PolarHBondContact O-N 3.31Å |
| 23 | L | 73.6 | Confident | 70.2 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 175.6 | -169.5 | 73.1 | 0 | 0 | 0 | 111.3 | S19 F20 V21 V25 V26 C27 | S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 PolarHBondContact O-N 2.89Å; F20-L23 PolarHBondContact O-N 3.36Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.46Å; L23-V25 VanDerWaalsContact C-N 3.31Å; L23-V25 PolarHBondContact O-N 2.92Å; L23-V26 PolarHBondContact O-N 3.45Å; L23-C27 VanDerWaalsContact O-CB 3.31Å; L23-C27 WeakPolarHBondContact O-CB 3.31Å; L23-C27 PolarHBondContact O-N 3.05Å; L23-C27 PolarHBondContact O-SG 2.88Å |
| 24 | V | 71 | Confident | 68.3 | Low | 52 Ų | 52 | 106.8 Ų | 106.8 | 32% | 0.315 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.5 | -40.8 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | F20 V21 C27 R28 | F20-V24 HydrophobicContact CD1-CG2 4.17Å; F20-V24 HydrophobicContact CE1-CG2 3.79Å; F20-V24 HydrophobicContact CE2-CG2 4.3Å; F20-V24 HydrophobicContact CZ-CG2 3.87Å; F20-V24 WeakPolarHBondContact O-CB 3.28Å; F20-V24 VanDerWaalsContact O-CG2 3.28Å; F20-V24 WeakPolarHBondContact O-CG2 3.48Å; F20-V24 PolarHBondContact O-N 2.84Å; V21-V24 PolarHBondContact O-N 2.9Å; V24-C27 PolarHBondContact O-N 3.1Å; V24-R28 HydrophobicContact CG1-CG 4.25Å; V24-R28 VanDerWaalsContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CB 3.32Å; V24-R28 WeakPolarHBondContact O-CG 3.32Å; V24-R28 PolarHBondContact O-N 3.48Å |
| 25 | V | 70.4 | Confident | 66.4 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -44.6 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | V21 A22 L23 R28 Q29 | V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 WeakPolarHBondContact O-CB 3.45Å; V21-V25 VanDerWaalsContact O-CG2 3.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3.23Å; A22-V25 PolarHBondContact O-N 3.33Å; L23-V25 VanDerWaalsContact C-N 3.31Å; L23-V25 PolarHBondContact O-N 2.92Å; V25-R28 PolarHBondContact O-N 3.38Å; V25-Q29 WeakPolarHBondContact O-CA 3.49Å; V25-Q29 WeakPolarHBondContact O-CB 3.45Å; V25-Q29 PolarHBondContact O-N 2.95Å |
| 26 | V | 69.9 | Low | 64.1 | Low | 85 Ų | 85 | 113.3 Ų | 113.3 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.9 | -45.1 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | A22 L23 R28 Q29 R30 | A22-V26 WeakPolarHBondContact O-CB 3.31Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.31Å; A22-V26 PolarHBondContact O-N 3.31Å; L23-V26 PolarHBondContact O-N 3.45Å; V26-R28 PolarHBondContact O-N 3.37Å; V26-Q29 PolarHBondContact O-N 3.15Å; V26-R30 VanDerWaalsContact O-CB 3.25Å; V26-R30 WeakPolarHBondContact O-CB 3.15Å; V26-R30 PolarHBondContact O-N 3.44Å |
| 27 | C | 60.8 | Low | 62.2 | Low | 69 Ų | 69 | 112 Ų | 112 | 47% | 0.466 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.2 | -49.6 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 110.6 | L23 V24 R30 Y31 | L23-C27 VanDerWaalsContact O-CB 3.31Å; L23-C27 WeakPolarHBondContact O-CB 3.31Å; L23-C27 PolarHBondContact O-N 3.05Å; L23-C27 PolarHBondContact O-SG 2.88Å; V24-C27 PolarHBondContact O-N 3.1Å; C27-R30 PolarHBondContact O-N 2.71Å; C27-Y31 WeakPolarHBondContact O-CB 3.3Å; C27-Y31 PolarHBondContact O-N 3.03Å |
| 28 | R | 61.4 | Low | 60.2 | Low | 175 Ų | 175 | 115 Ų | 115 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -39.3 | 178.3 | -71.4 | -177 | 83.1 | 147.3 | 7.8 | 112.5 | V24 V25 V26 R30 Y31 C32 | V24-R28 HydrophobicContact CG1-CG 4.25Å; V24-R28 VanDerWaalsContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CB 3.32Å; V24-R28 WeakPolarHBondContact O-CG 3.32Å; V24-R28 PolarHBondContact O-N 3.48Å; V25-R28 PolarHBondContact O-N 3.38Å; V26-R28 PolarHBondContact O-N 3.37Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.35Å; R28-Y31 PolarHBondContact O-N 3.31Å; R28-C32 WeakPolarHBondContact O-CA 3.44Å; R28-C32 WeakPolarHBondContact O-CB 3.19Å; R28-C32 PolarHBondContact O-N 3.32Å; R28-C32 PolarHBondContact O-SG 3.23Å; R28-C32 VanDerWaalsContact O-SG 3.34Å |
| 29 | Q | 57.1 | Low | 58.4 | Low | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -33.1 | 178.4 | -172.2 | 167 | 12.4 | 0 | 0 | 111.2 | V25 V26 R33 | V25-Q29 WeakPolarHBondContact O-CA 3.49Å; V25-Q29 WeakPolarHBondContact O-CB 3.45Å; V25-Q29 PolarHBondContact O-N 2.95Å; V26-Q29 PolarHBondContact O-N 3.15Å; Q29-R33 WeakPolarHBondContact O-CB 3.45Å; Q29-R33 WeakPolarHBondContact O-CG 3.43Å; Q29-R33 PolarHBondContact O-N 3.42Å |
| 30 | R | 55 | Low | 56.2 | Low | 185 Ų | 185 | 125 Ų | 125 | 70% | 0.698 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.1 | -32.8 | 174.6 | -142.5 | -176.8 | -167.1 | -170.6 | 3.3 | 112.4 | V26 C27 R28 | V26-R30 VanDerWaalsContact O-CB 3.25Å; V26-R30 WeakPolarHBondContact O-CB 3.15Å; V26-R30 PolarHBondContact O-N 3.44Å; C27-R30 PolarHBondContact O-N 2.71Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.35Å |
| 31 | Y | 49.8 | Very low | 54.1 | Low | 205 Ų | 205 | 129.8 Ų | 129.8 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.4 | -34.2 | 175.6 | -121.1 | -105.5 | 0 | 0 | 0 | 113.2 | C27 R28 | C27-Y31 WeakPolarHBondContact O-CB 3.3Å; C27-Y31 PolarHBondContact O-N 3.03Å; R28-Y31 PolarHBondContact O-N 3.31Å |
| 32 | C | 45.8 | Very low | 52.5 | Low | 96 Ų | 96 | 133.1 Ų | 133.1 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -97 | -1.9 | -179.9 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | R28 P34 | R28-C32 WeakPolarHBondContact O-CA 3.44Å; R28-C32 WeakPolarHBondContact O-CB 3.19Å; R28-C32 PolarHBondContact O-N 3.32Å; R28-C32 PolarHBondContact O-SG 3.23Å; R28-C32 VanDerWaalsContact O-SG 3.34Å; C32-P34 WeakPolarHBondContact O-CD 3.19Å |
| 33 | R | 46.8 | Very low | 50.8 | Low | 152 Ų | 152 | 135.6 Ų | 135.6 | 57% | 0.574 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -91.9 | 87.3 | 158.3 | -89.2 | -173.1 | 131 | 151.2 | 0.1 | 108.3 | Q29 K35 | Q29-R33 WeakPolarHBondContact O-CB 3.45Å; Q29-R33 WeakPolarHBondContact O-CG 3.43Å; Q29-R33 PolarHBondContact O-N 3.42Å; R33-K35 PolarHBondContact O-N 3.39Å |
| 34 | P | 42.1 | Very low | 49.1 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | trans | -61 | 124.2 | 166.4 | 29.1 | -32.6 | 0 | 0 | 0 | 107.8 | C32 D36 | C32-P34 WeakPolarHBondContact O-CD 3.19Å; P34-D36 PolarHBondContact O-N 3.49Å | ||
| 35 | K | 46.6 | Very low | 47.6 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 41.3 | 9.3 | 137.7 | -73.1 | 173.3 | 172.4 | 168.8 | 0 | 121.8 | R33 D86 | R33-K35 PolarHBondContact O-N 3.39Å; K35-D86 IonicContact NZ-OD2 2.79Å; K35-D86 PolarHBondContact NZ-OD2 2.97Å |
| 36 | D | 40.8 | Very low | 46.2 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -110.1 | 1.7 | -169.7 | -100.6 | -22.4 | 0 | 0 | 0 | 117.6 | P34 | P34-D36 PolarHBondContact O-N 3.49Š|
| 37 | L | 44.1 | Very low | 45 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -127.4 | 5.1 | -179.3 | -85.4 | 166.2 | 0 | 0 | 0 | 115.5 | ||
| 38 | L | 44.1 | Very low | 43.8 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 7.4 | 177.5 | -111.1 | 177.5 | 0 | 0 | 0 | 114.2 | ||
| 39 | H | 38.7 | Very low | 43.1 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 88% | 0.884 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 4.1 | 177.4 | -150.6 | -69.3 | 0 | 0 | 0 | 114.2 | ||
| 40 | H | 35.9 | Very low | 42.5 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.3 | 15.2 | -175.8 | -159.2 | 61.9 | 0 | 0 | 0 | 116.8 | ||
| 41 | Y | 35.7 | Very low | 41.6 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -139 | 47 | 171.1 | -115.3 | -87.9 | 0 | 0 | 0 | 112.3 | T43 | Y41-T43 PolarHBondContact O-N 3.43Š| ||
| 42 | D | 40.5 | Very low | 40.9 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -77.2 | 102.8 | 148.5 | -172.6 | -7.5 | 0 | 0 | 0 | 107.1 | ||||
| 43 | T | 36.5 | Very low | 40.5 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -178.2 | 96.4 | 140.6 | -62 | 0 | 0 | 0 | 0 | 108.7 | Y41 | Y41-T43 PolarHBondContact O-N 3.43Š| ||
| 44 | K | 37.9 | Very low | 40.2 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | 47.7 | 153.9 | 145 | -72.5 | 166.4 | 166.8 | 174.3 | 0 | 121.4 | ||||
| 45 | P | 40.5 | Very low | 40 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -134.7 | 111.2 | -4.4 | 34.2 | -11.8 | 0 | 0 | 0 | 113.2 | ||||
| 46 | I | 41.4 | Very low | 39.3 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -129.6 | 36.1 | 165.2 | -45.5 | 176.6 | 0 | 0 | 0 | 109.2 | ||
| 47 | V | 44.5 | Very low | 38.8 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -102.8 | -11 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 48 | D | 34.9 | Very low | 38.1 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -1.5 | -172.8 | -140.9 | 26.6 | 0 | 0 | 0 | 114.4 | ||
| 49 | L | 45.7 | Very low | 37.6 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -9 | -176.7 | -133.7 | 73.5 | 0 | 0 | 0 | 114.6 | ||
| 50 | I | 45 | Very low | 37.3 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 61% | 0.605 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -26 | -179.3 | -74.7 | 156.5 | 0 | 0 | 0 | 111.9 | A52 M53 | I50-A52 PolarHBondContact O-N 3.49Å; I50-A52 VanDerWaalsContact O-N 3.15Å; I50-M53 PolarHBondContact O-N 2.94Å |
| 51 | G | 35.7 | Very low | 37.3 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 52 | A | 36.4 | Very low | 37.5 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -4.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I50 | I50-A52 PolarHBondContact O-N 3.49Å; I50-A52 VanDerWaalsContact O-N 3.15Å |
| 53 | M | 37.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -120.9 | 15.6 | -178.5 | -159.5 | 174.7 | 172.5 | 0 | 0 | 113.2 | I50 | I50-M53 PolarHBondContact O-N 2.94Š|
| 54 | E | 40.4 | Very low | 37.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -108.6 | 56 | 169.9 | -80.1 | -167.7 | 105.1 | 0 | 0 | 110.9 | ||||
| 55 | T | 37.8 | Very low | 37.8 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -141.2 | 116.6 | 163.3 | -40 | 0 | 0 | 0 | 0 | 108.6 | ||
| 56 | Q | 31.3 | Very low | 38 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 87.7 | 80.4 | -174 | -53 | -177.1 | -8.4 | 0 | 0 | 114.8 | ||
| 57 | S | 30 | Very low | 38.1 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -176.2 | 123.5 | 106.9 | -86.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 58 | E | 28.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -45.7 | 151.1 | -175 | -60.9 | -79.3 | 90.3 | 0 | 0 | 115.5 | S60 | E58-S60 PolarHBondContact O-N 3.42Š| ||
| 59 | P | 33.6 | Very low | 38.9 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | trans | -80.7 | 114.5 | 178 | 33.4 | -29.1 | 0 | 0 | 0 | 109.3 | E61 | P59-E61 PolarHBondContact O-N 2.88Š| ||
| 60 | S | 33.3 | Very low | 39.1 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -84.7 | 93.8 | 163.5 | -124.8 | 0 | 0 | 0 | 0 | 108.1 | E58 L62 | E58-S60 PolarHBondContact O-N 3.42Å; S60-L62 PolarHBondContact O-N 3.33Å; S60-L62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | E | 35.2 | Very low | 39.1 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -48.6 | 108.7 | 146.9 | -71.7 | -177.2 | 101.8 | 0 | 0 | 107.6 | P59 | P59-E61 PolarHBondContact O-N 2.88Š| ||
| 62 | L | 40.2 | Very low | 39.8 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -131 | 116 | 164.8 | -72.4 | 175.3 | 0 | 0 | 0 | 106.7 | S60 | S60-L62 PolarHBondContact O-N 3.33Å; S60-L62 VanDerWaalsContact O-N 3.12Å | ||
| 63 | E | 34.8 | Very low | 40.3 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -47.9 | 137.7 | -168.7 | -68.3 | 157.4 | 99.4 | 0 | 0 | 113.1 | D65 | E63-D65 PolarHBondContact O-N 3.49Š| ||
| 64 | L | 45.8 | Very low | 41 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 72% | 0.72 | S | S | * | * | trans | -71.4 | 23.5 | 176.4 | -99.7 | 82.2 | 0 | 0 | 0 | 113.4 | D66 | L64-D66 PolarHBondContact O-N 3.42Š| ||
| 65 | D | 41.8 | Very low | 41.5 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -84.1 | 116.9 | -172.7 | -157.3 | 50.3 | 0 | 0 | 0 | 110.9 | E63 | E63-D65 PolarHBondContact O-N 3.49Š| ||
| 66 | D | 43 | Very low | 42.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | 71.6 | 74.5 | 162.5 | -146.5 | 24 | 0 | 0 | 0 | 118.3 | L64 | L64-D66 PolarHBondContact O-N 3.42Š| ||
| 67 | V | 44.9 | Very low | 43.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 68% | 0.68 | S | S | * | * | trans | -123.6 | 92.9 | 149.3 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | I69 | V67-I69 PolarHBondContact O-N 3.01Š| ||
| 68 | V | 45.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | trans | -49.4 | 99.1 | 167.3 | 173.4 | 0 | 0 | 0 | 0 | 108.8 | T70 | V68-T70 PolarHBondContact O-N 2.95Å; V68-T70 PolarHBondContact O-OG1 2.9Å | ||
| 69 | I | 49.7 | Very low | 45 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | trans | -60.8 | 104.5 | 167.5 | -63.3 | 175.7 | 0 | 0 | 0 | 104.9 | V67 N71 I74 | V67-I69 PolarHBondContact O-N 3.01Å; I69-N71 PolarHBondContact O-N 3.37Å; I69-I74 HydrophobicContact CG2-CB 4.39Å; I69-I74 HydrophobicContact CG2-CD1 3.94Å | ||
| 70 | T | 49.8 | Very low | 45.5 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -74.3 | 27.1 | -164.7 | -20.4 | 0 | 0 | 0 | 0 | 113 | V68 | V68-T70 PolarHBondContact O-N 2.95Å; V68-T70 PolarHBondContact O-OG1 2.9Å |
| 71 | N | 46.6 | Very low | 46.2 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 40% | 0.401 | 65% | 0.653 | S | S | . | * | trans | -136.6 | 102.2 | -177.9 | -162.8 | -32.2 | 0 | 0 | 0 | 111.2 | I69 H73 I74 | I69-N71 PolarHBondContact O-N 3.37Å; N71-H73 PolarHBondContact O-N 3.4Å; N71-H73 WeakPolarHBondContact OD1-CB 3.33Å; N71-H73 PolarHBondContact OD1-N 3.38Å; N71-H73 VanDerWaalsContact OD1-N 3.14Å; N71-I74 HydrophobicContact CB-CD1 3.69Å; N71-I74 HydrophobicContact CB-CG1 3.88Å; N71-I74 PolarHBondContact O-N 2.97Å | ||
| 72 | P | 50.8 | Low | 46.8 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.6 | -8.7 | -178.2 | 26.3 | -33.9 | 0 | 0 | 0 | 113.7 | ||
| 73 | H | 45.4 | Very low | 47.3 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87.4 | -14.4 | 175.4 | -103 | -61.7 | 0 | 0 | 0 | 114.2 | N71 I77 | N71-H73 PolarHBondContact O-N 3.4Å; N71-H73 WeakPolarHBondContact OD1-CB 3.33Å; N71-H73 PolarHBondContact OD1-N 3.38Å; N71-H73 VanDerWaalsContact OD1-N 3.14Å; H73-I77 WeakPolarHBondContact O-CD1 3.27Å; H73-I77 WeakPolarHBondContact O-CG1 3.36Å; H73-I77 PolarHBondContact O-N 2.89Å |
| 74 | I | 52.6 | Low | 47.8 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 41% | 0.405 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -79.2 | -37.2 | -179.9 | -60.4 | 177.6 | 0 | 0 | 0 | 110.2 | I69 N71 I77 L78 | I69-I74 HydrophobicContact CG2-CB 4.39Å; I69-I74 HydrophobicContact CG2-CD1 3.94Å; N71-I74 HydrophobicContact CB-CD1 3.69Å; N71-I74 HydrophobicContact CB-CG1 3.88Å; N71-I74 PolarHBondContact O-N 2.97Å; I74-I77 PolarHBondContact O-N 3.46Å; I74-L78 WeakPolarHBondContact O-CB 3.31Å; I74-L78 PolarHBondContact O-N 2.88Å |
| 75 | E | 51 | Low | 47.7 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -42.3 | 177.4 | -62 | -168.9 | 168.6 | 0 | 0 | 111.7 | I77 L78 E79 | E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.87Å; E75-L78 PolarHBondContact O-N 3.01Å; E75-L78 VanDerWaalsContact O-N 3.1Å; E75-E79 WeakPolarHBondContact O-CB 3.45Å; E75-E79 PolarHBondContact O-N 3.07Å |
| 76 | A | 50.1 | Low | 48.2 | Very low | 42 Ų | 42 | 117 Ų | 117 | 35% | 0.347 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -27.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N80 | A76-N80 PolarHBondContact O-ND2 3.14Å |
| 77 | I | 52 | Low | 48.3 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 59% | 0.59 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.7 | -30.5 | 174.9 | -64.5 | 165 | 0 | 0 | 0 | 110.3 | H73 I74 E75 | H73-I77 WeakPolarHBondContact O-CD1 3.27Å; H73-I77 WeakPolarHBondContact O-CG1 3.36Å; H73-I77 PolarHBondContact O-N 2.89Å; I74-I77 PolarHBondContact O-N 3.46Å; E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.87Å |
| 78 | L | 52.1 | Low | 48.7 | Very low | 91 Ų | 91 | 110.3 Ų | 110.3 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.8 | -29.5 | 179.6 | -148.2 | 72.1 | 0 | 0 | 0 | 112.7 | I74 E75 W83 | I74-L78 WeakPolarHBondContact O-CB 3.31Å; I74-L78 PolarHBondContact O-N 2.88Å; E75-L78 PolarHBondContact O-N 3.01Å; E75-L78 VanDerWaalsContact O-N 3.1Å; L78-W83 HydrophobicContact CD1-CH2 4.24Å; L78-W83 HydrophobicContact CD1-CZ2 3.64Å; L78-W83 HydrophobicContact CG-CZ2 3.98Å; L78-W83 PolarHBondContact O-NE1 3.3Å |
| 79 | E | 46.8 | Very low | 48.8 | Very low | 156 Ų | 156 | 108 Ų | 108 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -78.4 | -15.8 | -178.9 | -165.8 | 175.3 | -163.1 | 0 | 0 | 114.1 | E75 E81 | E75-E79 WeakPolarHBondContact O-CB 3.45Å; E75-E79 PolarHBondContact O-N 3.07Å; E79-E81 PolarHBondContact O-N 2.99Å |
| 80 | N | 43.8 | Very low | 48.8 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | trans | -74.5 | 99.5 | 174.5 | -80.3 | -78.2 | 0 | 0 | 0 | 109.8 | A76 D82 W83 | A76-N80 PolarHBondContact O-ND2 3.14Å; N80-D82 PolarHBondContact O-N 3.27Å; N80-W83 PolarHBondContact O-NE1 3.07Å | ||
| 81 | E | 48.2 | Very low | 48.9 | Very low | 163 Ų | 163 | 103.1 Ų | 103.1 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -58.5 | -0.4 | -170.7 | -79.9 | 171.5 | 93.9 | 0 | 0 | 117.6 | E79 W83 I84 | E79-E81 PolarHBondContact O-N 2.99Å; E81-W83 PolarHBondContact O-N 2.95Å; E81-I84 HydrophobicContact CB-CD1 4.42Å; E81-I84 HydrophobicContact CG-CD1 4.17Å |
| 82 | D | 47.4 | Very low | 49 | Very low | 171 Ų | 171 | 102.8 Ų | 102.8 | 91% | 0.914 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -82.2 | -4.4 | -174.8 | -82.7 | -35.6 | 0 | 0 | 0 | 115.3 | N80 | N80-D82 PolarHBondContact O-N 3.27Š|
| 83 | W | 52.3 | Low | 49.1 | Very low | 91 Ų | 91 | 103.4 Ų | 103.4 | 35% | 0.345 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -99.8 | -5 | 177.1 | 69.2 | -90.5 | 0 | 0 | 0 | 114 | L78 N80 E81 A87 V91 | L78-W83 HydrophobicContact CD1-CH2 4.24Å; L78-W83 HydrophobicContact CD1-CZ2 3.64Å; L78-W83 HydrophobicContact CG-CZ2 3.98Å; L78-W83 PolarHBondContact O-NE1 3.3Å; N80-W83 PolarHBondContact O-NE1 3.07Å; E81-W83 PolarHBondContact O-N 2.95Å; W83-A87 HydrophobicContact CE3-CB 4.26Å; W83-V91 HydrophobicContact CE3-CG2 4.1Å; W83-V91 HydrophobicContact CH2-CB 4.43Å; W83-V91 HydrophobicContact CH2-CG1 3.84Å; W83-V91 HydrophobicContact CZ3-CB 3.85Å; W83-V91 HydrophobicContact CZ3-CG1 3.72Å; W83-V91 HydrophobicContact CZ3-CG2 3.65Å |
| 84 | I | 44.9 | Very low | 49.4 | Very low | 75 Ų | 75 | 100 Ų | 100 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14 | -157.7 | -63 | -179.5 | 0 | 0 | 0 | 114.1 | E81 | E81-I84 HydrophobicContact CB-CD1 4.42Å; E81-I84 HydrophobicContact CG-CD1 4.17Å |
| 85 | E | 44.2 | Very low | 49.5 | Very low | 190 Ų | 190 | 99.5 Ų | 99.5 | 89% | 0.888 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -30.9 | -172.6 | -64.4 | -167.5 | 131.5 | 0 | 0 | 114.8 | ||
| 86 | D | 50.6 | Low | 49.8 | Very low | 137 Ų | 137 | 95.4 Ų | 95.4 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -5.4 | -173.9 | -95.3 | -2.2 | 0 | 0 | 0 | 114.4 | K35 | K35-D86 IonicContact NZ-OD2 2.79Å; K35-D86 PolarHBondContact NZ-OD2 2.97Å |
| 87 | A | 46.7 | Very low | 50.4 | Low | 27 Ų | 27 | 98.3 Ų | 98.3 | 22% | 0.223 | 53% | 0.533 | C | S | . | . | trans | -119.6 | -2.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | W83 G89 L90 V91 | W83-A87 HydrophobicContact CE3-CB 4.26Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.45Å; A87-G89 VanDerWaalsContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.45Å; A87-V91 HydrophobicContact CB-CG2 3.92Å; A87-V91 WeakPolarHBondContact O-CG2 3.23Å; A87-V91 PolarHBondContact O-N 3.02Å | ||
| 88 | S | 51.7 | Low | 50.7 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.2 | -36.7 | -172.9 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 89 | G | 48.7 | Very low | 50.8 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 55% | 0.546 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.5 | -30.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A87 S92 H93 | A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.45Å; A87-G89 VanDerWaalsContact O-N 3.14Å; G89-S92 PolarHBondContact O-OG 2.97Å; G89-H93 PolarHBondContact O-CD2 2.68Å; G89-H93 VanDerWaalsContact O-CD2 3.23Å |
| 90 | L | 49.1 | Very low | 51.5 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -89.5 | -34.7 | -176.3 | -171.2 | 67.3 | 0 | 0 | 0 | 111.8 | A87 S92 H93 C94 | A87-L90 PolarHBondContact O-N 3.45Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-H93 PolarHBondContact O-N 3.31Å; L90-C94 WeakPolarHBondContact O-CB 3.36Å; L90-C94 PolarHBondContact O-N 3.37Å; L90-C94 PolarHBondContact O-SG 2.87Å; L90-C94 VanDerWaalsContact O-SG 3.33Å |
| 91 | V | 52.2 | Low | 52 | Low | 41 Ų | 41 | 95 Ų | 95 | 25% | 0.248 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | W83 A87 H93 C94 I95 | W83-V91 HydrophobicContact CE3-CG2 4.1Å; W83-V91 HydrophobicContact CH2-CB 4.43Å; W83-V91 HydrophobicContact CH2-CG1 3.84Å; W83-V91 HydrophobicContact CZ3-CB 3.85Å; W83-V91 HydrophobicContact CZ3-CG1 3.72Å; W83-V91 HydrophobicContact CZ3-CG2 3.65Å; A87-V91 HydrophobicContact CB-CG2 3.92Å; A87-V91 WeakPolarHBondContact O-CG2 3.23Å; A87-V91 PolarHBondContact O-N 3.02Å; V91-H93 PolarHBondContact O-N 2.92Å; V91-C94 PolarHBondContact O-N 3.5Å; V91-I95 HydrophobicContact CG1-CD1 3.49Å; V91-I95 VanDerWaalsContact CG1-CD1 3.49Å; V91-I95 HydrophobicContact CG1-CG1 4.19Å; V91-I95 VanDerWaalsContact O-CB 3.3Å; V91-I95 WeakPolarHBondContact O-CB 3.29Å; V91-I95 WeakPolarHBondContact O-CD1 3.35Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 2.85Å |
| 92 | S | 48.4 | Very low | 52.3 | Low | 68 Ų | 68 | 92.4 Ų | 92.4 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 173.8 | 84.8 | 0 | 0 | 0 | 0 | 112.1 | G89 L90 I95 A96 | G89-S92 PolarHBondContact O-OG 2.97Å; L90-S92 VanDerWaalsContact C-N 3.34Å; S92-I95 PolarHBondContact O-N 3.42Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 3.27Å |
| 93 | H | 52.2 | Low | 52.7 | Low | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.8 | -40.2 | 177 | -85.5 | -63.6 | 0 | 0 | 0 | 112.8 | G89 L90 V91 A96 I97 | G89-H93 PolarHBondContact O-CD2 2.68Å; G89-H93 VanDerWaalsContact O-CD2 3.23Å; L90-H93 PolarHBondContact O-N 3.31Å; V91-H93 PolarHBondContact O-N 2.92Å; H93-A96 PolarHBondContact O-N 2.93Å; H93-I97 WeakPolarHBondContact O-CD1 3.37Å; H93-I97 VanDerWaalsContact O-CG1 3.23Å; H93-I97 WeakPolarHBondContact O-CG1 3.34Å; H93-I97 PolarHBondContact O-N 2.91Å |
| 94 | C | 51.8 | Low | 52.7 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 175.5 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | L90 V91 I97 L98 | L90-C94 WeakPolarHBondContact O-CB 3.36Å; L90-C94 PolarHBondContact O-N 3.37Å; L90-C94 PolarHBondContact O-SG 2.87Å; L90-C94 VanDerWaalsContact O-SG 3.33Å; V91-C94 PolarHBondContact O-N 3.5Å; C94-I97 PolarHBondContact O-N 3.22Å; C94-L98 WeakPolarHBondContact O-CB 3.42Å; C94-L98 VanDerWaalsContact O-CG 3.29Å; C94-L98 WeakPolarHBondContact O-CG 3.43Å; C94-L98 PolarHBondContact O-N 3.3Å |
| 95 | I | 56.2 | Low | 53.4 | Low | 69 Ų | 69 | 88.8 Ų | 88.8 | 35% | 0.354 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 174.4 | -69.9 | 168 | 0 | 0 | 0 | 110.7 | V91 S92 L98 K99 | V91-I95 HydrophobicContact CG1-CD1 3.49Å; V91-I95 VanDerWaalsContact CG1-CD1 3.49Å; V91-I95 HydrophobicContact CG1-CG1 4.19Å; V91-I95 VanDerWaalsContact O-CB 3.3Å; V91-I95 WeakPolarHBondContact O-CB 3.29Å; V91-I95 WeakPolarHBondContact O-CD1 3.35Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 2.85Å; S92-I95 PolarHBondContact O-N 3.42Å; I95-L98 PolarHBondContact O-N 2.9Å; I95-K99 HydrophobicContact CG2-CD 4.23Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 WeakPolarHBondContact O-CG 3.31Å; I95-K99 PolarHBondContact O-N 3.37Å |
| 96 | A | 57.2 | Low | 54.4 | Low | 41 Ų | 41 | 85 Ų | 85 | 34% | 0.339 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S92 H93 K99 I100 | S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 3.27Å; H93-A96 PolarHBondContact O-N 2.93Å; A96-K99 PolarHBondContact O-N 3.14Å; A96-I100 WeakPolarHBondContact O-CD1 3.26Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 3.3Å |
| 97 | I | 61 | Low | 54.8 | Low | 102 Ų | 102 | 84.6 Ų | 84.6 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.4 | -66.8 | 163 | 0 | 0 | 0 | 110.8 | H93 C94 K99 I100 C101 | H93-I97 WeakPolarHBondContact O-CD1 3.37Å; H93-I97 VanDerWaalsContact O-CG1 3.23Å; H93-I97 WeakPolarHBondContact O-CG1 3.34Å; H93-I97 PolarHBondContact O-N 2.91Å; C94-I97 PolarHBondContact O-N 3.22Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 3.44Å; I97-I100 PolarHBondContact O-N 3.46Å; I97-C101 WeakPolarHBondContact O-CB 3.47Å; I97-C101 PolarHBondContact O-N 3.45Å; I97-C101 PolarHBondContact O-SG 2.9Å |
| 98 | L | 60 | Low | 54.9 | Low | 120 Ų | 120 | 88.6 Ų | 88.6 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 176.2 | -76.8 | 165.2 | 0 | 0 | 0 | 112 | C94 I95 C101 H102 | C94-L98 WeakPolarHBondContact O-CB 3.42Å; C94-L98 VanDerWaalsContact O-CG 3.29Å; C94-L98 WeakPolarHBondContact O-CG 3.43Å; C94-L98 PolarHBondContact O-N 3.3Å; I95-L98 PolarHBondContact O-N 2.9Å; L98-C101 PolarHBondContact O-N 3.13Å; L98-H102 WeakPolarHBondContact O-CB 3.44Å; L98-H102 PolarHBondContact O-N 3.38Å |
| 99 | K | 54.3 | Low | 55.3 | Low | 124 Ų | 124 | 87.8 Ų | 87.8 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.9 | -78.5 | 179.9 | 172.9 | 177.3 | 0 | 112.1 | I95 A96 I97 C101 H102 T103 | I95-K99 HydrophobicContact CG2-CD 4.23Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 WeakPolarHBondContact O-CG 3.31Å; I95-K99 PolarHBondContact O-N 3.37Å; A96-K99 PolarHBondContact O-N 3.14Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 3.44Å; K99-C101 PolarHBondContact O-N 3.4Å; K99-H102 WeakPolarHBondContact O-CB 3.3Å; K99-H102 PolarHBondContact O-N 2.76Å; K99-T103 PolarHBondContact O-N 2.92Å; K99-T103 PolarHBondContact O-OG1 3.36Å; K99-T103 VanDerWaalsContact O-OG1 3.14Å |
| 100 | I | 61.5 | Low | 56 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.1 | -68.4 | 158.1 | 0 | 0 | 0 | 110.4 | A96 I97 H102 T103 L104 | A96-I100 WeakPolarHBondContact O-CD1 3.26Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 3.3Å; I97-I100 PolarHBondContact O-N 3.46Å; I100-H102 VanDerWaalsContact C-N 3.31Å; I100-H102 PolarHBondContact O-N 3.23Å; I100-T103 PolarHBondContact O-N 3.38Å; I100-L104 HydrophobicContact CG2-CD1 3.74Å; I100-L104 HydrophobicContact CG2-CG 4.23Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.11Å; I100-L104 PolarHBondContact O-N 3.41Å |
| 101 | C | 52.9 | Low | 56.3 | Low | 64 Ų | 64 | 90 Ų | 90 | 43% | 0.432 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175.2 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | I97 L98 K99 T105 | I97-C101 WeakPolarHBondContact O-CB 3.47Å; I97-C101 PolarHBondContact O-N 3.45Å; I97-C101 PolarHBondContact O-SG 2.9Å; L98-C101 PolarHBondContact O-N 3.13Å; K99-C101 PolarHBondContact O-N 3.4Å; C101-T105 VanDerWaalsContact O-CB 3.3Å; C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.82Å; C101-T105 PolarHBondContact O-OG1 3.41Å |
| 102 | H | 55.1 | Low | 56.1 | Low | 108 Ų | 108 | 92.5 Ų | 92.5 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 175.9 | -170.5 | -89.9 | 0 | 0 | 0 | 111.6 | L98 K99 I100 L104 T105 E106 | L98-H102 WeakPolarHBondContact O-CB 3.44Å; L98-H102 PolarHBondContact O-N 3.38Å; K99-H102 WeakPolarHBondContact O-CB 3.3Å; K99-H102 PolarHBondContact O-N 2.76Å; I100-H102 VanDerWaalsContact C-N 3.31Å; I100-H102 PolarHBondContact O-N 3.23Å; H102-L104 PolarHBondContact O-N 2.99Å; H102-T105 WeakPolarHBondContact O-CB 3.43Å; H102-T105 PolarHBondContact O-N 3.18Å; H102-T105 VanDerWaalsContact O-N 3.13Å; H102-E106 VanDerWaalsContact CE1-CD 3.49Å; H102-E106 IonicContact CE1-OE1 3.15Å; H102-E106 PolarHBondContact CE1-OE1 2.68Å; H102-E106 IonicContact ND1-OE1 3.74Å; H102-E106 IonicContact ND1-OE2 3.88Å; H102-E106 PolarHBondContact O-N 3.22Å |
| 103 | T | 56.4 | Low | 56.5 | Low | 67 Ų | 67 | 96.3 Ų | 96.3 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 177.5 | -57 | 0 | 0 | 0 | 0 | 112 | K99 I100 T105 E106 K107 | K99-T103 PolarHBondContact O-N 2.92Å; K99-T103 PolarHBondContact O-OG1 3.36Å; K99-T103 VanDerWaalsContact O-OG1 3.14Å; I100-T103 PolarHBondContact O-N 3.38Å; T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.45Å; T103-E106 PolarHBondContact O-N 2.81Å; T103-K107 HydrophobicContact CG2-CG 4.33Å; T103-K107 WeakPolarHBondContact O-CB 3.21Å; T103-K107 WeakPolarHBondContact O-CG 3.23Å; T103-K107 PolarHBondContact O-N 2.88Å |
| 104 | L | 51.5 | Low | 56.6 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 176.2 | -71.5 | 173.1 | 0 | 0 | 0 | 111.4 | I100 H102 K107 L108 | I100-L104 HydrophobicContact CG2-CD1 3.74Å; I100-L104 HydrophobicContact CG2-CG 4.23Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.11Å; I100-L104 PolarHBondContact O-N 3.41Å; H102-L104 PolarHBondContact O-N 2.99Å; L104-K107 PolarHBondContact O-N 2.86Å; L104-L108 VanDerWaalsContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 3.38Å |
| 105 | T | 60.7 | Low | 56.4 | Low | 83 Ų | 83 | 93.5 Ų | 93.5 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | C101 H102 T103 K107 L108 V109 | C101-T105 VanDerWaalsContact O-CB 3.3Å; C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.82Å; C101-T105 PolarHBondContact O-OG1 3.41Å; H102-T105 WeakPolarHBondContact O-CB 3.43Å; H102-T105 PolarHBondContact O-N 3.18Å; H102-T105 VanDerWaalsContact O-N 3.13Å; T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.45Å; T105-K107 VanDerWaalsContact C-N 3.35Å; T105-K107 PolarHBondContact O-N 3.1Å; T105-L108 PolarHBondContact O-N 3.43Å; T105-V109 HydrophobicContact CG2-CG2 4.31Å; T105-V109 WeakPolarHBondContact O-CB 3.23Å; T105-V109 VanDerWaalsContact O-CG2 3.23Å; T105-V109 WeakPolarHBondContact O-CG2 3.34Å; T105-V109 PolarHBondContact O-N 3.12Å |
| 106 | E | 63.6 | Low | 56 | Low | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.4 | -75.3 | -176.7 | 151.3 | 0 | 0 | 112.3 | H102 T103 V109 A110 | H102-E106 VanDerWaalsContact CE1-CD 3.49Å; H102-E106 IonicContact CE1-OE1 3.15Å; H102-E106 PolarHBondContact CE1-OE1 2.68Å; H102-E106 IonicContact ND1-OE1 3.74Å; H102-E106 IonicContact ND1-OE2 3.88Å; H102-E106 PolarHBondContact O-N 3.22Å; T103-E106 PolarHBondContact O-N 2.81Å; E106-V109 PolarHBondContact O-N 2.85Å; E106-A110 WeakPolarHBondContact O-CB 3.37Å; E106-A110 PolarHBondContact O-N 2.79Å |
| 107 | K | 59.8 | Low | 55.5 | Low | 129 Ų | 129 | 94.7 Ų | 94.7 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 176.8 | -65 | -75.8 | 174.4 | 173.6 | 0 | 111.5 | T103 L104 T105 M111 | T103-K107 HydrophobicContact CG2-CG 4.33Å; T103-K107 WeakPolarHBondContact O-CB 3.21Å; T103-K107 WeakPolarHBondContact O-CG 3.23Å; T103-K107 PolarHBondContact O-N 2.88Å; L104-K107 PolarHBondContact O-N 2.86Å; T105-K107 VanDerWaalsContact C-N 3.35Å; T105-K107 PolarHBondContact O-N 3.1Å; K107-M111 HydrophobicContact CB-CE 4.31Å; K107-M111 VanDerWaalsContact O-CB 3.28Å; K107-M111 WeakPolarHBondContact O-CB 3.41Å; K107-M111 WeakPolarHBondContact O-CE 3.16Å; K107-M111 VanDerWaalsContact O-CG 3.32Å; K107-M111 WeakPolarHBondContact O-CG 3.46Å; K107-M111 PolarHBondContact O-N 2.8Å |
| 108 | L | 49.2 | Very low | 54.8 | Low | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.4 | -42.3 | 176.7 | -161.1 | 83.5 | 0 | 0 | 0 | 111.4 | L104 T105 M111 T112 | L104-L108 VanDerWaalsContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 3.38Å; T105-L108 PolarHBondContact O-N 3.43Å; L108-M111 PolarHBondContact O-N 3.26Å; L108-T112 VanDerWaalsContact O-CB 3.25Å; L108-T112 WeakPolarHBondContact O-CB 3.28Å; L108-T112 PolarHBondContact O-N 3.45Å; L108-T112 PolarHBondContact O-OG1 2.93Å |
| 109 | V | 60.1 | Low | 54.4 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.4 | -45.2 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | T105 E106 M111 T112 M113 | T105-V109 HydrophobicContact CG2-CG2 4.31Å; T105-V109 WeakPolarHBondContact O-CB 3.23Å; T105-V109 VanDerWaalsContact O-CG2 3.23Å; T105-V109 WeakPolarHBondContact O-CG2 3.34Å; T105-V109 PolarHBondContact O-N 3.12Å; E106-V109 PolarHBondContact O-N 2.85Å; V109-M111 VanDerWaalsContact C-N 3.34Å; V109-M111 PolarHBondContact O-N 2.78Å; V109-T112 CarbonylContact O-C 3.59Å; V109-T112 PolarHBondContact O-N 3.15Å; V109-T112 VanDerWaalsContact O-N 3.1Å; V109-M113 HydrophobicContact CG1-CG 4.24Å; V109-M113 HydrophobicContact CG1-SD 3.73Å; V109-M113 WeakPolarHBondContact O-CB 3.25Å; V109-M113 WeakPolarHBondContact O-CG 3.32Å; V109-M113 PolarHBondContact O-N 3.45Å |
| 110 | A | 62.1 | Low | 54.5 | Low | 63 Ų | 63 | 101.6 Ų | 101.6 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E106 G114 | E106-A110 WeakPolarHBondContact O-CB 3.37Å; E106-A110 PolarHBondContact O-N 2.79Å; A110-G114 WeakPolarHBondContact O-CA 2.94Å; A110-G114 PolarHBondContact O-N 3.12Å |
| 111 | M | 55.6 | Low | 54.3 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 61% | 0.611 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -36.9 | 172.1 | -81.6 | -173.3 | -78.2 | 0 | 0 | 112.2 | K107 L108 V109 S115 | K107-M111 HydrophobicContact CB-CE 4.31Å; K107-M111 VanDerWaalsContact O-CB 3.28Å; K107-M111 WeakPolarHBondContact O-CB 3.41Å; K107-M111 WeakPolarHBondContact O-CE 3.16Å; K107-M111 VanDerWaalsContact O-CG 3.32Å; K107-M111 WeakPolarHBondContact O-CG 3.46Å; K107-M111 PolarHBondContact O-N 2.8Å; L108-M111 PolarHBondContact O-N 3.26Å; V109-M111 VanDerWaalsContact C-N 3.34Å; V109-M111 PolarHBondContact O-N 2.78Å; M111-S115 WeakPolarHBondContact O-CA 3.47Å; M111-S115 WeakPolarHBondContact O-CB 3.3Å; M111-S115 PolarHBondContact O-N 2.84Å |
| 112 | T | 49.1 | Very low | 54.6 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.8 | -38.7 | -180 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | L108 V109 S115 G116 | L108-T112 VanDerWaalsContact O-CB 3.25Å; L108-T112 WeakPolarHBondContact O-CB 3.28Å; L108-T112 PolarHBondContact O-N 3.45Å; L108-T112 PolarHBondContact O-OG1 2.93Å; V109-T112 CarbonylContact O-C 3.59Å; V109-T112 PolarHBondContact O-N 3.15Å; V109-T112 VanDerWaalsContact O-N 3.1Å; T112-S115 CarbonylContact O-C 3.34Å; T112-G116 PolarHBondContact O-N 3.22Å |
| 113 | M | 55.9 | Low | 54.9 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.7 | -36.8 | 175.9 | -66.4 | -179.2 | 74.1 | 0 | 0 | 112 | V109 S115 G116 | V109-M113 HydrophobicContact CG1-CG 4.24Å; V109-M113 HydrophobicContact CG1-SD 3.73Å; V109-M113 WeakPolarHBondContact O-CB 3.25Å; V109-M113 WeakPolarHBondContact O-CG 3.32Å; V109-M113 PolarHBondContact O-N 3.45Å; M113-S115 VanDerWaalsContact C-N 3.34Å; M113-G116 PolarHBondContact O-N 3.05Å |
| 114 | G | 54.7 | Low | 55.2 | Low | 62 Ų | 62 | 98.7 Ų | 98.7 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.2 | -28.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A110 G116 | A110-G114 WeakPolarHBondContact O-CA 2.94Å; A110-G114 PolarHBondContact O-N 3.12Å; G114-G116 VanDerWaalsContact C-N 3.32Å |
| 115 | S | 47.2 | Very low | 56.1 | Low | 66 Ų | 66 | 97.7 Ų | 97.7 | 46% | 0.462 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -88.4 | 2.1 | 172 | -162.8 | 0 | 0 | 0 | 0 | 112.8 | M111 T112 M113 A117 R118 | M111-S115 WeakPolarHBondContact O-CA 3.47Å; M111-S115 WeakPolarHBondContact O-CB 3.3Å; M111-S115 PolarHBondContact O-N 2.84Å; T112-S115 CarbonylContact O-C 3.34Å; M113-S115 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 3.44Å; S115-A117 VanDerWaalsContact O-N 3.12Å; S115-R118 PolarHBondContact O-N 2.69Å |
| 116 | G | 47.8 | Very low | 56.7 | Low | 40 Ų | 40 | 96.4 Ų | 96.4 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -58.9 | -20.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | T112 M113 G114 R118 V119 | T112-G116 PolarHBondContact O-N 3.22Å; M113-G116 PolarHBondContact O-N 3.05Å; G114-G116 VanDerWaalsContact C-N 3.32Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.82Å; G116-V119 PolarHBondContact O-N 3Å |
| 117 | A | 48 | Very low | 57.3 | Low | 95 Ų | 95 | 96.3 Ų | 96.3 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -78.7 | -8.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S115 | S115-A117 PolarHBondContact O-N 3.44Å; S115-A117 VanDerWaalsContact O-N 3.12Å |
| 118 | R | 46.2 | Very low | 58.3 | Low | 228 Ų | 228 | 95 Ų | 95 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -97.5 | 7.6 | 171.9 | -93.2 | -165.9 | -177.7 | -148.6 | 3.8 | 113.5 | S115 G116 K120 | S115-R118 PolarHBondContact O-N 2.69Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.82Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.23Å |
| 119 | V | 51.7 | Low | 59.8 | Low | 116 Ų | 116 | 94.3 Ų | 94.3 | 70% | 0.703 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -69.4 | 97.4 | 163.6 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | G116 | G116-V119 PolarHBondContact O-N 3Š|
| 120 | K | 54.7 | Low | 60.9 | Low | 146 Ų | 146 | 94.6 Ų | 94.6 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | trans | 29.9 | 107.2 | 167.8 | -76.5 | 175.5 | 178.3 | 171 | 0 | 115.1 | R118 | R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.23Å | ||
| 121 | S | 57.1 | Low | 61.8 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | trans | -43.8 | 141 | 178 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | A123 S124 | S121-A123 PolarHBondContact O-N 3Å; S121-S124 PolarHBondContact O-N 3.19Å; S121-S124 PolarHBondContact O-OG 3.4Å | ||
| 122 | P | 59.4 | Low | 63.1 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 72% | 0.721 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -55.2 | -23.5 | -179.7 | 19.9 | -32.1 | 0 | 0 | 0 | 113.2 | L125 S126 | P122-L125 PolarHBondContact O-N 3.44Å; P122-S126 PolarHBondContact O-N 3.32Å; P122-S126 PolarHBondContact O-OG 2.75Å |
| 123 | A | 62 | Low | 64.7 | Low | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -38.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S121 S126 D127 | S121-A123 PolarHBondContact O-N 3Å; A123-S126 WeakPolarHBondContact CA-OG 3.45Å; A123-S126 PolarHBondContact O-N 3.44Å; A123-S126 PolarHBondContact O-OG 3.39Å; A123-D127 PolarHBondContact O-N 2.93Å; A123-D127 VanDerWaalsContact O-N 3.14Å |
| 124 | S | 62.5 | Low | 65.8 | Low | 37 Ų | 37 | 96.6 Ų | 96.6 | 26% | 0.259 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.1 | -30.9 | 178.5 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | S121 I128 | S121-S124 PolarHBondContact O-N 3.19Å; S121-S124 PolarHBondContact O-OG 3.4Å; S124-I128 WeakPolarHBondContact O-CD1 3.33Å; S124-I128 VanDerWaalsContact O-CG1 3.25Å; S124-I128 WeakPolarHBondContact O-CG1 3.44Å; S124-I128 PolarHBondContact O-N 3.21Å |
| 125 | L | 70.8 | Confident | 67.2 | Low | 90 Ų | 90 | 98.2 Ų | 98.2 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.5 | -37.3 | 174.3 | -67.6 | 176 | 0 | 0 | 0 | 111.5 | P122 D127 I128 I129 | P122-L125 PolarHBondContact O-N 3.44Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.33Å; L125-I128 HydrophobicContact CD2-CD1 4.48Å; L125-I128 PolarHBondContact O-N 3.12Å; L125-I129 WeakPolarHBondContact O-CD1 3.45Å; L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 2.98Å |
| 126 | S | 73.9 | Confident | 68.7 | Low | 56 Ų | 56 | 98.5 Ų | 98.5 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -38.7 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | P122 A123 I129 V130 | P122-S126 PolarHBondContact O-N 3.32Å; P122-S126 PolarHBondContact O-OG 2.75Å; A123-S126 WeakPolarHBondContact CA-OG 3.45Å; A123-S126 PolarHBondContact O-N 3.44Å; A123-S126 PolarHBondContact O-OG 3.39Å; S126-I129 PolarHBondContact O-N 3.11Å; S126-V130 VanDerWaalsContact O-CG2 3.29Å; S126-V130 WeakPolarHBondContact O-CG2 3.25Å; S126-V130 PolarHBondContact O-N 3.25Å |
| 127 | D | 76.4 | Confident | 70.2 | Confident | 108 Ų | 108 | 99.6 Ų | 99.6 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -42.8 | 176.5 | -75.9 | -11.5 | 0 | 0 | 0 | 111.6 | A123 L125 I129 V130 V131 | A123-D127 PolarHBondContact O-N 2.93Å; A123-D127 VanDerWaalsContact O-N 3.14Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.33Å; D127-I129 VanDerWaalsContact C-N 3.32Å; D127-I129 PolarHBondContact O-N 2.97Å; D127-V130 PolarHBondContact O-N 3.49Å; D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.5Å |
| 128 | I | 79.8 | Confident | 71.8 | Confident | 102 Ų | 102 | 103.6 Ų | 103.6 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.3 | -65.7 | 164.7 | 0 | 0 | 0 | 110.7 | S124 L125 V131 A132 | S124-I128 WeakPolarHBondContact O-CD1 3.33Å; S124-I128 VanDerWaalsContact O-CG1 3.25Å; S124-I128 WeakPolarHBondContact O-CG1 3.44Å; S124-I128 PolarHBondContact O-N 3.21Å; L125-I128 HydrophobicContact CD2-CD1 4.48Å; L125-I128 PolarHBondContact O-N 3.12Å; I128-V131 PolarHBondContact O-N 3.12Å; I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.46Å; I128-A132 PolarHBondContact O-N 3.38Å |
| 129 | I | 80.5 | Confident | 73.5 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.7 | -66.8 | 162.7 | 0 | 0 | 0 | 111.2 | L125 S126 D127 A132 K133 | L125-I129 WeakPolarHBondContact O-CD1 3.45Å; L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 2.98Å; S126-I129 PolarHBondContact O-N 3.11Å; D127-I129 VanDerWaalsContact C-N 3.32Å; D127-I129 PolarHBondContact O-N 2.97Å; I129-A132 PolarHBondContact O-N 3.48Å; I129-K133 HydrophobicContact CG2-CD 4.4Å; I129-K133 WeakPolarHBondContact O-CB 3.33Å; I129-K133 WeakPolarHBondContact O-CG 3.36Å; I129-K133 PolarHBondContact O-N 3.22Å |
| 130 | V | 83.6 | Confident | 74.9 | Confident | 78 Ų | 78 | 95.9 Ų | 95.9 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | S126 D127 K133 R134 | S126-V130 VanDerWaalsContact O-CG2 3.29Å; S126-V130 WeakPolarHBondContact O-CG2 3.25Å; S126-V130 PolarHBondContact O-N 3.25Å; D127-V130 PolarHBondContact O-N 3.49Å; V130-K133 PolarHBondContact O-N 3.07Å; V130-R134 PolarHBondContact O-N 3.43Å |
| 131 | V | 80.9 | Confident | 76.2 | Confident | 94 Ų | 94 | 94 Ų | 94 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -45.8 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | D127 I128 K133 R134 | D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.5Å; I128-V131 PolarHBondContact O-N 3.12Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 2.88Å; V131-R134 PolarHBondContact O-N 3.08Å |
| 132 | A | 82.1 | Confident | 77.5 | Confident | 49 Ų | 49 | 94.6 Ų | 94.6 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I128 I129 R134 I135 | I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.46Å; I128-A132 PolarHBondContact O-N 3.38Å; I129-A132 PolarHBondContact O-N 3.48Å; A132-R134 PolarHBondContact O-N 2.97Å; A132-I135 WeakPolarHBondContact O-CB 3.47Å; A132-I135 PolarHBondContact O-N 3.42Å; A132-I135 VanDerWaalsContact O-N 3.08Å |
| 133 | K | 83 | Confident | 78.5 | Confident | 154 Ų | 154 | 93.1 Ų | 93.1 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -24.4 | 176.4 | -79.1 | -178.4 | 176.2 | -177.9 | 0 | 114 | I129 V130 V131 P137 | I129-K133 HydrophobicContact CG2-CD 4.4Å; I129-K133 WeakPolarHBondContact O-CB 3.33Å; I129-K133 WeakPolarHBondContact O-CG 3.36Å; I129-K133 PolarHBondContact O-N 3.22Å; V130-K133 PolarHBondContact O-N 3.07Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 2.88Å; K133-P137 VanDerWaalsContact O-CD 3.23Å; K133-P137 WeakPolarHBondContact O-CD 3.5Å |
| 134 | R | 79.9 | Confident | 79.2 | Confident | 172 Ų | 172 | 99.2 Ų | 99.2 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -83.4 | -11.9 | 176.7 | -70.3 | -172.6 | -178.6 | -114.1 | 4.8 | 113.6 | V130 V131 A132 R138 | V130-R134 PolarHBondContact O-N 3.43Å; V131-R134 PolarHBondContact O-N 3.08Å; A132-R134 PolarHBondContact O-N 2.97Å; R134-R138 WeakPolarHBondContact O-CG 3.29Å |
| 135 | I | 82.9 | Confident | 80 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.6 | -43.1 | 179.8 | -63.2 | 170.5 | 0 | 0 | 0 | 110.5 | A132 R138 V139 | A132-I135 WeakPolarHBondContact O-CB 3.47Å; A132-I135 PolarHBondContact O-N 3.42Å; A132-I135 VanDerWaalsContact O-N 3.08Å; I135-R138 WeakPolarHBondContact O-CB 3.47Å; I135-R138 PolarHBondContact O-N 2.97Å; I135-R138 VanDerWaalsContact O-N 3.11Å; I135-V139 HydrophobicContact CG2-CG2 4.02Å; I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 3.46Å |
| 136 | S | 80.1 | Confident | 80.2 | Confident | 73 Ų | 73 | 103.9 Ų | 103.9 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -51 | -54.3 | 179.6 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | R138 V139 D140 | S136-R138 PolarHBondContact O-N 3.28Å; S136-V139 PolarHBondContact O-N 3.4Å; S136-V139 VanDerWaalsContact O-N 3.12Å; S136-D140 PolarHBondContact O-N 3.38Å |
| 137 | P | 79.8 | Confident | 80.1 | Confident | 63 Ų | 63 | 109.6 Ų | 109.6 | 41% | 0.409 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -29.8 | -179.7 | 24.5 | -34.3 | 0 | 0 | 0 | 112.8 | K133 D140 D141 | K133-P137 VanDerWaalsContact O-CD 3.23Å; K133-P137 WeakPolarHBondContact O-CD 3.5Å; P137-D140 PolarHBondContact O-N 2.87Å; P137-D141 WeakPolarHBondContact O-CB 3.22Å; P137-D141 PolarHBondContact O-N 2.89Å |
| 138 | R | 79.8 | Confident | 79.7 | Confident | 178 Ų | 178 | 108.5 Ų | 108.5 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.4 | -35.4 | 176.5 | -68.1 | -177 | 172.9 | -162.4 | -2.3 | 112.1 | R134 I135 S136 V142 | R134-R138 WeakPolarHBondContact O-CG 3.29Å; I135-R138 WeakPolarHBondContact O-CB 3.47Å; I135-R138 PolarHBondContact O-N 2.97Å; I135-R138 VanDerWaalsContact O-N 3.11Å; S136-R138 PolarHBondContact O-N 3.28Å; R138-V142 VanDerWaalsContact O-CG2 3.3Å; R138-V142 WeakPolarHBondContact O-CG2 3.27Å; R138-V142 PolarHBondContact O-N 3.41Å; R138-V142 VanDerWaalsContact O-N 3.12Å |
| 139 | V | 83.4 | Confident | 79.1 | Confident | 79 Ų | 79 | 109.2 Ų | 109.2 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67 | -43 | 172.2 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | I135 S136 D141 V142 V143 | I135-V139 HydrophobicContact CG2-CG2 4.02Å; I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 3.46Å; S136-V139 PolarHBondContact O-N 3.4Å; S136-V139 VanDerWaalsContact O-N 3.12Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 2.94Å; V139-V142 PolarHBondContact O-N 2.93Å; V139-V143 HydrophobicContact CG1-CG2 4.48Å; V139-V143 WeakPolarHBondContact O-CG2 3.34Å; V139-V143 PolarHBondContact O-N 3.08Å |
| 140 | D | 80.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 111.5 Ų | 111.5 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -40.2 | 175.7 | -70.1 | -34.6 | 0 | 0 | 0 | 112.3 | S136 P137 V143 R144 | S136-D140 PolarHBondContact O-N 3.38Å; P137-D140 PolarHBondContact O-N 2.87Å; D140-V143 PolarHBondContact O-N 3.48Å; D140-R144 VanDerWaalsContact O-CB 3.27Å; D140-R144 WeakPolarHBondContact O-CB 3.37Å; D140-R144 PolarHBondContact O-N 2.96Å |
| 141 | D | 82.7 | Confident | 77.1 | Confident | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 175.2 | -74.4 | -22 | 0 | 0 | 0 | 112 | P137 V139 R144 S145 | P137-D141 WeakPolarHBondContact O-CB 3.22Å; P137-D141 PolarHBondContact O-N 2.89Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 2.94Å; D141-R144 PolarHBondContact O-N 3.25Å; D141-S145 WeakPolarHBondContact O-CB 3.29Å; D141-S145 PolarHBondContact O-N 3.43Å |
| 142 | V | 82.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 113.1 Ų | 113.1 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -46.3 | 175.8 | 170 | 0 | 0 | 0 | 0 | 110.6 | R138 V139 R144 S145 M146 | R138-V142 VanDerWaalsContact O-CG2 3.3Å; R138-V142 WeakPolarHBondContact O-CG2 3.27Å; R138-V142 PolarHBondContact O-N 3.41Å; R138-V142 VanDerWaalsContact O-N 3.12Å; V139-V142 PolarHBondContact O-N 2.93Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.99Å; V142-S145 PolarHBondContact O-N 3.28Å; V142-S145 PolarHBondContact O-OG 3.14Å; V142-M146 WeakPolarHBondContact O-CG 3.38Å; V142-M146 PolarHBondContact O-N 2.79Å |
| 143 | V | 81.1 | Confident | 75 | Confident | 79 Ų | 79 | 119.2 Ų | 119.2 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.2 | -42 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V139 D140 S145 M146 Y147 | V139-V143 HydrophobicContact CG1-CG2 4.48Å; V139-V143 WeakPolarHBondContact O-CG2 3.34Å; V139-V143 PolarHBondContact O-N 3.08Å; D140-V143 PolarHBondContact O-N 3.48Å; V143-S145 VanDerWaalsContact C-N 3.31Å; V143-S145 PolarHBondContact O-N 2.97Å; V143-M146 PolarHBondContact O-N 3.43Å; V143-Y147 PolarHBondContact O-N 2.86Å |
| 144 | R | 77.8 | Confident | 73.6 | Confident | 185 Ų | 185 | 118.9 Ų | 118.9 | 70% | 0.698 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.1 | -29.6 | 178.4 | -163.7 | 167.9 | -142.4 | 94.2 | 5.4 | 113.2 | D140 D141 V142 Y147 | D140-R144 VanDerWaalsContact O-CB 3.27Å; D140-R144 WeakPolarHBondContact O-CB 3.37Å; D140-R144 PolarHBondContact O-N 2.96Å; D141-R144 PolarHBondContact O-N 3.25Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.99Å; R144-Y147 CarbonylContact O-C 3.56Å |
| 145 | S | 77.6 | Confident | 72.4 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.8 | -31.5 | 173 | 77 | 0 | 0 | 0 | 0 | 113 | D141 V142 V143 | D141-S145 WeakPolarHBondContact O-CB 3.29Å; D141-S145 PolarHBondContact O-N 3.43Å; V142-S145 PolarHBondContact O-N 3.28Å; V142-S145 PolarHBondContact O-OG 3.14Å; V143-S145 VanDerWaalsContact C-N 3.31Å; V143-S145 PolarHBondContact O-N 2.97Å |
| 146 | M | 75.1 | Confident | 71.2 | Confident | 140 Ų | 140 | 120 Ų | 120 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.6 | -28.6 | 176.8 | -75.8 | -69.6 | -166.7 | 0 | 0 | 112.4 | V142 V143 P148 | V142-M146 WeakPolarHBondContact O-CG 3.38Å; V142-M146 PolarHBondContact O-N 2.79Å; V143-M146 PolarHBondContact O-N 3.43Å; M146-P148 WeakPolarHBondContact O-CD 3.49Å |
| 147 | Y | 72 | Confident | 70.1 | Confident | 177 Ų | 177 | 120.7 Ų | 120.7 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -122.7 | 76.3 | 175.5 | -66 | -85.5 | 0 | 0 | 0 | 109.9 | V143 R144 | V143-Y147 PolarHBondContact O-N 2.86Å; R144-Y147 CarbonylContact O-C 3.56Å |
| 148 | P | 68.8 | Low | 68.6 | Low | 84 Ų | 84 | 132 Ų | 132 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -57.2 | 142.3 | 172.5 | 23.7 | -31.2 | 0 | 0 | 0 | 109.1 | M146 L150 | M146-P148 WeakPolarHBondContact O-CD 3.49Å; P148-L150 PolarHBondContact O-N 3.4Å | ||
| 149 | P | 66.6 | Low | 68 | Low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -56.4 | 115.8 | -176.7 | 22 | -31.6 | 0 | 0 | 0 | 109.4 | D151 | P149-D151 PolarHBondContact O-N 2.97Š| ||
| 150 | L | 62 | Low | 67.2 | Low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -66.8 | 121.9 | 175.1 | -79.6 | 98 | 0 | 0 | 0 | 108.3 | P148 P152 | P148-L150 PolarHBondContact O-N 3.4Å; L150-P152 WeakPolarHBondContact O-CD 3.23Å | ||
| 151 | D | 60.8 | Low | 66.4 | Low | 108 Ų | 108 | 134 Ų | 134 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | trans | -67 | 116.5 | 176.8 | -139 | -14.8 | 0 | 0 | 0 | 108.3 | P149 K153 L154 | P149-D151 PolarHBondContact O-N 2.97Å; D151-K153 PolarHBondContact O-N 2.92Å; D151-L154 PolarHBondContact O-N 3.4Å; D151-L154 VanDerWaalsContact O-N 3.08Å | ||
| 152 | P | 60.7 | Low | 65.5 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -63.3 | -12.7 | -174.3 | 23.2 | -32.5 | 0 | 0 | 0 | 113.1 | L150 L154 | L150-P152 WeakPolarHBondContact O-CD 3.23Å; P152-L154 VanDerWaalsContact C-N 3.32Å; P152-L154 PolarHBondContact O-N 3.03Å |
| 153 | K | 57.5 | Low | 64.4 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -73.6 | -14.1 | 175 | -79.3 | -176.9 | 164.9 | 172.1 | 0 | 115 | D151 | D151-K153 PolarHBondContact O-N 2.92Š|
| 154 | L | 53 | Low | 63.3 | Low | 146 Ų | 146 | 142.7 Ų | 142.7 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -90.6 | -9.8 | 176 | -67.3 | 175.7 | 0 | 0 | 0 | 113.4 | D151 P152 | D151-L154 PolarHBondContact O-N 3.4Å; D151-L154 VanDerWaalsContact O-N 3.08Å; P152-L154 VanDerWaalsContact C-N 3.32Å; P152-L154 PolarHBondContact O-N 3.03Å |
| 155 | L | 55.1 | Low | 62.3 | Low | 137 Ų | 137 | 139.7 Ų | 139.7 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -87.8 | -17.7 | 176.6 | -98.3 | 155.7 | 0 | 0 | 0 | 113.4 | ||
| 156 | D | 57.3 | Low | 61.1 | Low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -91.9 | 1.5 | -177 | -159.2 | 42.2 | 0 | 0 | 0 | 113.4 | ||
| 157 | A | 58 | Low | 59.9 | Low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -101.9 | 20.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 158 | R | 47.2 | Very low | 58.8 | Low | 300 Ų | 300 | 141.3 Ų | 141.3 | 100% | 1.132 | 75% | 0.747 | S | S | * | * | trans | -129.1 | 0 | 177.8 | -168.4 | 174.5 | -163.3 | 143.2 | 4.9 | 113.3 |
Retrieved 158 of 158 residues in 128.4 ms
(Link to these results)