| 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 | Low | 78.8 | Confident | 207 Ų | 207 | 123.5 Ų | 123.5 | 100% | 1.02 | 65% | 0.652 | S | S | * | * | 0 | -40.1 | 0 | -63.5 | -162.6 | -178.7 | 0 | 0 | 113.3 | L3 L4 V5 | M1-L3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-V5 PolarHBondContact O-N 2.99Å | |||
| 2 | Q | 69.4 | Low | 79.2 | Confident | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.6 | -36.9 | -180 | -66.2 | 179.6 | -25 | 0 | 0 | 114.7 | L4 V5 V6 | Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.23Å; Q2-V5 PolarHBondContact O-N 3.02Å; Q2-V6 WeakPolarHBondContact O-CG2 3.47Å; Q2-V6 PolarHBondContact O-N 3.48Å; Q2-V6 VanDerWaalsContact O-N 3.1Å |
| 3 | L | 77.8 | Confident | 79.2 | Confident | 147 Ų | 147 | 116.2 Ų | 116.2 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.2 | -34.3 | 176 | -112.6 | 117.8 | 0 | 0 | 0 | 113.7 | M1 K7 | M1-L3 PolarHBondContact O-N 3.42Å; L3-K7 PolarHBondContact O-N 2.99Å; L3-K7 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 79.4 | Confident | 78.8 | Confident | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -39.1 | 177.2 | -85.5 | 165.2 | 0 | 0 | 0 | 111.3 | M1 Q2 K7 L8 | M1-L4 PolarHBondContact O-N 2.88Å; Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.23Å; L4-K7 PolarHBondContact O-N 3.47Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 2.89Å |
| 5 | V | 84.8 | Confident | 78.4 | Confident | 92 Ų | 92 | 112.6 Ų | 112.6 | 56% | 0.558 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.7 | -43.8 | 176.5 | 177 | 0 | 0 | 0 | 0 | 110.7 | M1 Q2 K7 L8 L9 | M1-V5 PolarHBondContact O-N 2.99Å; Q2-V5 PolarHBondContact O-N 3.02Å; V5-K7 PolarHBondContact O-N 3.43Å; V5-L8 PolarHBondContact O-N 3.12Å; V5-L9 VanDerWaalsContact O-CB 3.29Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 PolarHBondContact O-N 2.73Å |
| 6 | V | 85.4 | Confident | 78 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63 | -42.5 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | Q2 L9 G10 | Q2-V6 WeakPolarHBondContact O-CG2 3.47Å; Q2-V6 PolarHBondContact O-N 3.48Å; Q2-V6 VanDerWaalsContact O-N 3.1Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-G10 PolarHBondContact O-N 3.45Å |
| 7 | K | 78.5 | Confident | 78 | Confident | 152 Ų | 152 | 110.7 Ų | 110.7 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.2 | -46.4 | 174.6 | -94.4 | -178.6 | 163.7 | 178.9 | 0 | 112.3 | L3 L4 V5 G10 L11 | L3-K7 PolarHBondContact O-N 2.99Å; L3-K7 VanDerWaalsContact O-N 3.13Å; L4-K7 PolarHBondContact O-N 3.47Å; V5-K7 PolarHBondContact O-N 3.43Å; K7-G10 PolarHBondContact O-N 2.72Å; K7-L11 WeakPolarHBondContact O-CB 3.47Å; K7-L11 PolarHBondContact O-N 2.81Å |
| 8 | L | 85.9 | Confident | 77.7 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.2 | -42.3 | 179.2 | -82.3 | 165.2 | 0 | 0 | 0 | 112.1 | L4 V5 L11 L12 | L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 2.89Å; V5-L8 PolarHBondContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 2.87Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.31Å |
| 9 | L | 87.1 | Confident | 77.2 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -39 | 178.6 | -159.5 | 74.6 | 0 | 0 | 0 | 111.3 | V5 V6 L12 G13 | V5-L9 VanDerWaalsContact O-CB 3.29Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 PolarHBondContact O-N 2.73Å; V6-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-G13 PolarHBondContact O-N 3.34Å |
| 10 | G | 80.3 | Confident | 76.8 | Confident | 37 Ų | 37 | 105.1 Ų | 105.1 | 38% | 0.381 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 K7 G13 L14 | V6-G10 PolarHBondContact O-N 3.45Å; K7-G10 PolarHBondContact O-N 2.72Å; G10-G13 PolarHBondContact O-N 2.96Å; G10-L14 WeakPolarHBondContact O-CB 3.09Å; G10-L14 VanDerWaalsContact O-CG 3.3Å; G10-L14 WeakPolarHBondContact O-CG 3.32Å; G10-L14 PolarHBondContact O-N 3.44Å |
| 11 | L | 79.9 | Confident | 76.2 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.6 | -45 | 175.6 | -109.1 | 164.9 | 0 | 0 | 0 | 112 | K7 L8 L14 S15 | K7-L11 WeakPolarHBondContact O-CB 3.47Å; K7-L11 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-S15 WeakPolarHBondContact O-CB 3.35Å; L11-S15 PolarHBondContact O-N 3.34Å |
| 12 | L | 82.6 | Confident | 76.4 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 179.1 | -170.4 | 70.7 | 0 | 0 | 0 | 111.6 | L8 L9 S15 S16 | L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 3.03Å; L12-S16 WeakPolarHBondContact O-CB 3.25Å; L12-S16 PolarHBondContact O-N 2.74Å; L12-S16 PolarHBondContact O-OG 3.09Å |
| 13 | G | 79.9 | Confident | 76.1 | Confident | 42 Ų | 42 | 90.9 Ų | 90.9 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L9 G10 S15 S16 L17 | L9-G13 PolarHBondContact O-N 3.34Å; G10-G13 PolarHBondContact O-N 2.96Å; G13-S15 VanDerWaalsContact C-N 3.35Å; G13-S15 PolarHBondContact O-N 3.46Å; G13-S16 PolarHBondContact O-N 2.98Å; G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 2.91Å |
| 14 | L | 73.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 89 Ų | 89 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 177.1 | -69.7 | 171.5 | 0 | 0 | 0 | 111.9 | G10 L11 L17 M18 | G10-L14 WeakPolarHBondContact O-CB 3.09Å; G10-L14 VanDerWaalsContact O-CG 3.3Å; G10-L14 WeakPolarHBondContact O-CG 3.32Å; G10-L14 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.22Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-M18 WeakPolarHBondContact O-CB 3.34Å; L14-M18 WeakPolarHBondContact O-CG 3.37Å; L14-M18 PolarHBondContact O-N 3.22Å |
| 15 | S | 72.9 | Confident | 74.5 | Confident | 65 Ų | 65 | 86.1 Ų | 86.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 176 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | L11 L12 G13 M18 L19 | L11-S15 WeakPolarHBondContact O-CB 3.35Å; L11-S15 PolarHBondContact O-N 3.34Å; L12-S15 PolarHBondContact O-N 3.03Å; G13-S15 VanDerWaalsContact C-N 3.35Å; G13-S15 PolarHBondContact O-N 3.46Å; S15-M18 PolarHBondContact O-N 3Å; S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 3.4Å |
| 16 | S | 71.8 | Confident | 73.4 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | L12 G13 L19 A20 | L12-S16 WeakPolarHBondContact O-CB 3.25Å; L12-S16 PolarHBondContact O-N 2.74Å; L12-S16 PolarHBondContact O-OG 3.09Å; G13-S16 PolarHBondContact O-N 2.98Å; S16-L19 PolarHBondContact O-N 3.45Å; S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.9Å |
| 17 | L | 76.9 | Confident | 72.3 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 177.5 | -169.1 | 66.9 | 0 | 0 | 0 | 111.8 | G13 L14 G21 | G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.3Å; L17-G21 PolarHBondContact O-N 3.22Å |
| 18 | M | 72.4 | Confident | 71.5 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 29% | 0.286 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 172.1 | -76.6 | -125.3 | -78.9 | 0 | 0 | 111.4 | L14 S15 A20 G21 I22 L160 L163 V164 L167 | L14-M18 WeakPolarHBondContact O-CB 3.34Å; L14-M18 WeakPolarHBondContact O-CG 3.37Å; L14-M18 PolarHBondContact O-N 3.22Å; S15-M18 PolarHBondContact O-N 3Å; M18-A20 PolarHBondContact O-N 3.49Å; M18-G21 PolarHBondContact O-N 2.8Å; M18-I22 WeakPolarHBondContact O-CD1 3.28Å; M18-I22 VanDerWaalsContact O-CG1 3.24Å; M18-I22 WeakPolarHBondContact O-CG1 3.34Å; M18-I22 PolarHBondContact O-N 3.46Å; M18-I22 VanDerWaalsContact O-N 3.07Å; M18-L160 HydrophobicContact CB-CD2 4.12Å; M18-L160 HydrophobicContact CE-CD2 4.07Å; M18-L160 HydrophobicContact CG-CD2 4.48Å; M18-L160 HydrophobicContact SD-CD2 3.6Å; M18-L160 VanDerWaalsContact SD-CD2 3.6Å; M18-L163 HydrophobicContact CE-CB 4.5Å; M18-V164 HydrophobicContact CE-CG2 4Å; M18-L167 HydrophobicContact CE-CD1 4.15Å |
| 19 | L | 68.3 | Low | 70.2 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 56% | 0.555 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 178.3 | -140.5 | 90.3 | 0 | 0 | 0 | 111.5 | S15 S16 I22 L23 | S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 2.8Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 PolarHBondContact O-N 2.87Å |
| 20 | A | 68.9 | Low | 68.9 | Low | 55 Ų | 55 | 82.6 Ų | 82.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S16 M18 I22 L23 L24 | S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.9Å; M18-A20 PolarHBondContact O-N 3.49Å; A20-I22 PolarHBondContact O-N 3.42Å; A20-L23 PolarHBondContact O-N 3.5Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.23Å |
| 21 | G | 64.8 | Low | 67.8 | Low | 48 Ų | 48 | 84.8 Ų | 84.8 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -30.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L17 M18 P25 | L17-G21 PolarHBondContact O-N 3.22Å; M18-G21 PolarHBondContact O-N 2.8Å; G21-P25 WeakPolarHBondContact O-CD 3.33Å |
| 22 | I | 63.5 | Low | 66.7 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 27% | 0.267 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -81.7 | -41.8 | 173.8 | -59.7 | 162.6 | 0 | 0 | 0 | 111.9 | M18 L19 A20 L24 P25 V26 L160 | M18-I22 WeakPolarHBondContact O-CD1 3.28Å; M18-I22 VanDerWaalsContact O-CG1 3.24Å; M18-I22 WeakPolarHBondContact O-CG1 3.34Å; M18-I22 PolarHBondContact O-N 3.46Å; M18-I22 VanDerWaalsContact O-N 3.07Å; L19-I22 PolarHBondContact O-N 2.8Å; A20-I22 PolarHBondContact O-N 3.42Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.44Å; I22-P25 VanDerWaalsContact O-CD 3.27Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CG 3.3Å; I22-P25 WeakPolarHBondContact O-CG 3.34Å; I22-V26 WeakPolarHBondContact O-CG2 3.28Å; I22-L160 HydrophobicContact CD1-CB 3.92Å; I22-L160 HydrophobicContact CD1-CD1 3.47Å; I22-L160 VanDerWaalsContact CD1-CD1 3.47Å; I22-L160 HydrophobicContact CD1-CD2 3.2Å; I22-L160 HydrophobicContact CD1-CG 3.62Å; I22-L160 HydrophobicContact CG1-CD1 3.23Å; I22-L160 HydrophobicContact CG1-CD2 3.78Å; I22-L160 HydrophobicContact CG1-CG 3.95Å |
| 23 | L | 63.3 | Low | 65.4 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 45% | 0.445 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -31 | -176.9 | -119.7 | 69.2 | 0 | 0 | 0 | 111.8 | L19 A20 V26 R27 | L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 PolarHBondContact O-N 2.87Å; A20-L23 PolarHBondContact O-N 3.5Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-R27 VanDerWaalsContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.01Å; L23-R27 PolarHBondContact O-N 3.41Å |
| 24 | L | 66.2 | Low | 64.2 | Low | 108 Ų | 108 | 89 Ų | 89 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -53.6 | -178.4 | -167.9 | 69.1 | 0 | 0 | 0 | 113 | A20 I22 V26 R27 L28 | A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.23Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.44Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 2.9Å; L24-R27 PolarHBondContact O-N 3Å; L24-L28 HydrophobicContact CD1-CD1 4.13Å; L24-L28 HydrophobicContact CD1-CG 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.93Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å |
| 25 | P | 57.2 | Low | 63.2 | Low | 56 Ų | 56 | 87.2 Ų | 87.2 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 177 | 24.8 | -34.1 | 0 | 0 | 0 | 112.2 | G21 I22 L29 L43 | G21-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CD 3.27Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CG 3.3Å; I22-P25 WeakPolarHBondContact O-CG 3.34Å; P25-L29 WeakPolarHBondContact O-CB 3.39Å; P25-L29 PolarHBondContact O-N 2.87Å; P25-L43 HydrophobicContact CB-CD2 4.42Å |
| 26 | V | 60.7 | Low | 62.3 | Low | 74 Ų | 74 | 87.5 Ų | 87.5 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -47.6 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | I22 L23 L24 L28 L29 L30 | I22-V26 WeakPolarHBondContact O-CG2 3.28Å; L23-V26 PolarHBondContact O-N 3.37Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 2.9Å; V26-L28 PolarHBondContact O-N 3.29Å; V26-L29 PolarHBondContact O-N 2.93Å; V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 WeakPolarHBondContact O-CD1 3.43Å; V26-L30 PolarHBondContact O-N 3.49Å |
| 27 | R | 63.8 | Low | 61.6 | Low | 172 Ų | 172 | 87.4 Ų | 87.4 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | -179.9 | -73.5 | -70.5 | -175.7 | 176.1 | 0.2 | 112 | L23 L24 A31 | L23-R27 VanDerWaalsContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.01Å; L23-R27 PolarHBondContact O-N 3.41Å; L24-R27 PolarHBondContact O-N 3Å; R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.32Å; R27-A31 PolarHBondContact O-N 2.8Å |
| 28 | L | 61.3 | Low | 60.6 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -37.2 | 178.1 | -60.2 | 166.8 | 0 | 0 | 0 | 112.1 | L24 V26 L30 A31 D32 Y39 | L24-L28 HydrophobicContact CD1-CD1 4.13Å; L24-L28 HydrophobicContact CD1-CG 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.93Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å; V26-L28 PolarHBondContact O-N 3.29Å; L28-L30 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 3.41Å; L28-D32 PolarHBondContact O-N 3.4Å; L28-Y39 HydrophobicContact CB-CD1 4.45Å; L28-Y39 HydrophobicContact CB-CE1 3.43Å; L28-Y39 VanDerWaalsContact CB-CE1 3.43Å; L28-Y39 HydrophobicContact CG-CE1 4.5Å; L28-Y39 VanDerWaalsContact O-CZ 3.23Å; L28-Y39 PolarHBondContact O-OH 2.93Å |
| 29 | L | 59.3 | Low | 59.9 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 173.6 | -167.1 | 88.2 | 0 | 0 | 0 | 112.1 | P25 V26 | P25-L29 WeakPolarHBondContact O-CB 3.39Å; P25-L29 PolarHBondContact O-N 2.87Å; V26-L29 PolarHBondContact O-N 2.93Å |
| 30 | L | 58.3 | Low | 59.5 | Low | 127 Ų | 127 | 88.8 Ų | 88.8 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.3 | -32.9 | 177.5 | -92 | 82.4 | 0 | 0 | 0 | 113.1 | V26 L28 | V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 WeakPolarHBondContact O-CD1 3.43Å; V26-L30 PolarHBondContact O-N 3.49Å; L28-L30 PolarHBondContact O-N 3Å |
| 31 | A | 58.8 | Low | 58.9 | Low | 83 Ų | 83 | 95.5 Ų | 95.5 | 69% | 0.686 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.6 | -23.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R27 L28 | R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.32Å; R27-A31 PolarHBondContact O-N 2.8Å; L28-A31 PolarHBondContact O-N 3.41Å |
| 32 | D | 56.4 | Low | 58.7 | Low | 36 Ų | 36 | 95.3 Ų | 95.3 | 19% | 0.193 | 51% | 0.51 | C | S | . | . | trans | -150.4 | 69.7 | -168.4 | -156.4 | -54.9 | 0 | 0 | 0 | 111.7 | L28 E34 K35 Y39 | L28-D32 PolarHBondContact O-N 3.4Å; D32-E34 PolarHBondContact O-N 2.72Å; D32-K35 VanDerWaalsContact CG-CD 3.44Å; D32-K35 WeakPolarHBondContact OD1-CB 3.43Å; D32-K35 WeakPolarHBondContact OD1-CD 3.11Å; D32-K35 WeakPolarHBondContact OD1-CG 3.01Å; D32-K35 PolarHBondContact OD1-N 3.4Å; D32-K35 VanDerWaalsContact OD1-N 3.17Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 VanDerWaalsContact OD2-CD 3.23Å; D32-K35 WeakPolarHBondContact OD2-CD 3.22Å; D32-K35 WeakPolarHBondContact OD2-CE 3.48Å; D32-K35 IonicContact OD2-NZ 3.96Å; D32-K35 PolarHBondContact OD2-NZ 3.28Å; D32-Y39 HydrophobicContact CB-CE2 3.84Å; D32-Y39 WeakPolarHBondContact CB-OH 3.47Å; D32-Y39 VanDerWaalsContact O-CE2 3.23Å; D32-Y39 WeakPolarHBondContact O-CE2 3.26Å | ||
| 33 | S | 54.3 | Low | 58.6 | Low | 102 Ų | 102 | 97.1 Ų | 97.1 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -66.2 | -13.8 | 174.2 | -86.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 34 | E | 54.8 | Low | 58.3 | Low | 193 Ų | 193 | 95.6 Ų | 95.6 | 90% | 0.902 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -85.2 | -22.9 | -176.1 | -150.6 | -176.6 | 93.9 | 0 | 0 | 112.6 | D32 | D32-E34 PolarHBondContact O-N 2.72Š|
| 35 | K | 53.9 | Low | 58 | Low | 77 Ų | 77 | 96.1 Ų | 96.1 | 34% | 0.335 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -100.9 | 35.1 | -178.8 | -62.7 | 167.6 | -167.4 | 157 | 0 | 113.9 | D32 G37 R38 Y39 | D32-K35 VanDerWaalsContact CG-CD 3.44Å; D32-K35 WeakPolarHBondContact OD1-CB 3.43Å; D32-K35 WeakPolarHBondContact OD1-CD 3.11Å; D32-K35 WeakPolarHBondContact OD1-CG 3.01Å; D32-K35 PolarHBondContact OD1-N 3.4Å; D32-K35 VanDerWaalsContact OD1-N 3.17Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 VanDerWaalsContact OD2-CD 3.23Å; D32-K35 WeakPolarHBondContact OD2-CD 3.22Å; D32-K35 WeakPolarHBondContact OD2-CE 3.48Å; D32-K35 IonicContact OD2-NZ 3.96Å; D32-K35 PolarHBondContact OD2-NZ 3.28Å; K35-G37 PolarHBondContact O-N 3.47Å; K35-R38 VanDerWaalsContact CE-NH2 3.31Å; K35-R38 VanDerWaalsContact CG-NH2 3.32Å; K35-R38 PolarHBondContact O-N 2.85Å; K35-Y39 HydrophobicContact CB-CD2 4.49Å; K35-Y39 HydrophobicContact CB-CE2 4.32Å; K35-Y39 WeakPolarHBondContact O-CD2 3.03Å; K35-Y39 PolarHBondContact O-N 3.16Å |
| 36 | A | 54.2 | Low | 58.3 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -46.8 | -33.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 37 | G | 56.3 | Low | 58.4 | Low | 64 Ų | 64 | 98.3 Ų | 98.3 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -32.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K35 | K35-G37 PolarHBondContact O-N 3.47Å |
| 38 | R | 57.2 | Low | 58.2 | Low | 174 Ų | 174 | 94.6 Ų | 94.6 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.4 | -30.9 | 177.6 | -87.2 | -177.7 | -81.3 | 177.9 | -16.8 | 112.4 | K35 R41 G42 | K35-R38 VanDerWaalsContact CE-NH2 3.31Å; K35-R38 VanDerWaalsContact CG-NH2 3.32Å; K35-R38 PolarHBondContact O-N 2.85Å; R38-R41 PolarHBondContact O-N 3.32Å; R38-G42 PolarHBondContact O-N 2.93Å; R38-G42 VanDerWaalsContact O-N 3.16Å |
| 39 | Y | 56.9 | Low | 58.5 | Low | 51 Ų | 51 | 98.2 Ų | 98.2 | 20% | 0.2 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -63.1 | -40.6 | 176.5 | -82.2 | -68.4 | 0 | 0 | 0 | 113 | L28 D32 K35 R41 G42 L43 | L28-Y39 HydrophobicContact CB-CD1 4.45Å; L28-Y39 HydrophobicContact CB-CE1 3.43Å; L28-Y39 VanDerWaalsContact CB-CE1 3.43Å; L28-Y39 HydrophobicContact CG-CE1 4.5Å; L28-Y39 VanDerWaalsContact O-CZ 3.23Å; L28-Y39 PolarHBondContact O-OH 2.93Å; D32-Y39 HydrophobicContact CB-CE2 3.84Å; D32-Y39 WeakPolarHBondContact CB-OH 3.47Å; D32-Y39 VanDerWaalsContact O-CE2 3.23Å; D32-Y39 WeakPolarHBondContact O-CE2 3.26Å; K35-Y39 HydrophobicContact CB-CD2 4.49Å; K35-Y39 HydrophobicContact CB-CE2 4.32Å; K35-Y39 WeakPolarHBondContact O-CD2 3.03Å; K35-Y39 PolarHBondContact O-N 3.16Å; Y39-R41 VanDerWaalsContact C-N 3.27Å; Y39-R41 PolarHBondContact O-N 3.36Å; Y39-G42 PolarHBondContact O-N 3.43Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; Y39-L43 WeakPolarHBondContact O-CD1 3.4Å; Y39-L43 WeakPolarHBondContact O-CG 3.38Å; Y39-L43 PolarHBondContact O-N 3.4Å |
| 40 | H | 60.2 | Low | 58.7 | Low | 96 Ų | 96 | 96.9 Ų | 96.9 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58 | -41 | 177.5 | -169.4 | -93.3 | 0 | 0 | 0 | 112 | A44 T119 | H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.28Å; H40-T119 PolarHBondContact CE1-OG1 3.38Å |
| 41 | R | 55.4 | Low | 59 | Low | 195 Ų | 195 | 92.8 Ų | 92.8 | 74% | 0.736 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71 | -40.8 | 179.3 | -145.6 | 170.1 | -174.8 | 162.9 | 0.4 | 112 | R38 Y39 A44 L45 | R38-R41 PolarHBondContact O-N 3.32Å; Y39-R41 VanDerWaalsContact C-N 3.27Å; Y39-R41 PolarHBondContact O-N 3.36Å; R41-A44 PolarHBondContact O-N 3.43Å; R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 3.15Å |
| 42 | G | 61.3 | Low | 59.4 | Low | 44 Ų | 44 | 90.8 Ų | 90.8 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R38 Y39 G46 | R38-G42 PolarHBondContact O-N 2.93Å; R38-G42 VanDerWaalsContact O-N 3.16Å; Y39-G42 PolarHBondContact O-N 3.43Å; G42-G46 PolarHBondContact O-N 3.08Å |
| 43 | L | 60.5 | Low | 60.2 | Low | 90 Ų | 90 | 92.4 Ų | 92.4 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.5 | -80.9 | 155.9 | 0 | 0 | 0 | 112 | P25 Y39 G46 N47 | P25-L43 HydrophobicContact CB-CD2 4.42Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; Y39-L43 WeakPolarHBondContact O-CD1 3.4Å; Y39-L43 WeakPolarHBondContact O-CG 3.38Å; Y39-L43 PolarHBondContact O-N 3.4Å; L43-G46 PolarHBondContact O-N 2.9Å; L43-N47 WeakPolarHBondContact O-CB 3.43Å; L43-N47 PolarHBondContact O-N 3.32Å |
| 44 | A | 57.4 | Low | 60.9 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H40 R41 N47 C48 | H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.28Å; R41-A44 PolarHBondContact O-N 3.43Å; A44-N47 PolarHBondContact O-N 3Å; A44-C48 WeakPolarHBondContact O-CB 3.46Å; A44-C48 PolarHBondContact O-N 3.14Å |
| 45 | L | 59.2 | Low | 61.7 | Low | 120 Ų | 120 | 86.5 Ų | 86.5 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 175.3 | -70.8 | 172.5 | 0 | 0 | 0 | 111.8 | R41 C48 F49 | R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 3.15Å; L45-C48 PolarHBondContact O-N 3.14Å; L45-F49 WeakPolarHBondContact O-CB 3.25Å; L45-F49 PolarHBondContact O-N 2.8Å |
| 46 | G | 63.6 | Low | 62.6 | Low | 43 Ų | 43 | 85.5 Ų | 85.5 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G42 L43 F49 G50 | G42-G46 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 2.9Å; G46-F49 PolarHBondContact O-N 3.5Å; G46-G50 PolarHBondContact O-N 3.01Å |
| 47 | N | 62.6 | Low | 63.7 | Low | 132 Ų | 132 | 85.8 Ų | 85.8 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | 176.8 | -167.4 | 48.7 | 0 | 0 | 0 | 112.1 | L43 A44 F49 G50 G51 | L43-N47 WeakPolarHBondContact O-CB 3.43Å; L43-N47 PolarHBondContact O-N 3.32Å; A44-N47 PolarHBondContact O-N 3Å; N47-F49 VanDerWaalsContact C-N 3.34Å; N47-G50 PolarHBondContact O-N 2.94Å; N47-G51 PolarHBondContact O-N 3.42Å |
| 48 | C | 61.6 | Low | 64.2 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | A44 L45 G51 G52 | A44-C48 WeakPolarHBondContact O-CB 3.46Å; A44-C48 PolarHBondContact O-N 3.14Å; L45-C48 PolarHBondContact O-N 3.14Å; C48-G51 PolarHBondContact O-N 2.93Å; C48-G52 PolarHBondContact O-N 3.19Å |
| 49 | F | 65.6 | Low | 64.9 | Low | 150 Ų | 150 | 80 Ų | 80 | 66% | 0.658 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.1 | -45 | 177.6 | -175.7 | -99.7 | 0 | 0 | 0 | 111.6 | L45 G46 N47 G51 G52 V53 | L45-F49 WeakPolarHBondContact O-CB 3.25Å; L45-F49 PolarHBondContact O-N 2.8Å; G46-F49 PolarHBondContact O-N 3.5Å; N47-F49 VanDerWaalsContact C-N 3.34Å; F49-G51 VanDerWaalsContact C-N 3.34Å; F49-G51 PolarHBondContact O-N 3.44Å; F49-G52 PolarHBondContact O-N 3.45Å; F49-G52 VanDerWaalsContact O-N 3.13Å; F49-V53 HydrophobicContact CD1-CG2 4.12Å; F49-V53 HydrophobicContact CE1-CG2 3.73Å; F49-V53 HydrophobicContact CE2-CG2 4.41Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CG2 3.45Å; F49-V53 PolarHBondContact O-N 3.29Å |
| 50 | G | 64.7 | Low | 65.6 | Low | 38 Ų | 38 | 84 Ų | 84 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G46 N47 G52 V53 F54 | G46-G50 PolarHBondContact O-N 3.01Å; N47-G50 PolarHBondContact O-N 2.94Å; G50-G52 PolarHBondContact O-N 3.39Å; G50-V53 PolarHBondContact O-N 3.45Å; G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 3.46Å |
| 51 | G | 64.8 | Low | 66.2 | Low | 42 Ų | 42 | 82 Ų | 82 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N47 C48 F49 F54 L55 | N47-G51 PolarHBondContact O-N 3.42Å; C48-G51 PolarHBondContact O-N 2.93Å; F49-G51 VanDerWaalsContact C-N 3.34Å; F49-G51 PolarHBondContact O-N 3.44Å; G51-F54 PolarHBondContact O-N 3.27Å; G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 3.13Å |
| 52 | G | 67.6 | Low | 66.9 | Low | 40 Ų | 40 | 77 Ų | 77 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C48 F49 G50 L55 A56 | C48-G52 PolarHBondContact O-N 3.19Å; F49-G52 PolarHBondContact O-N 3.45Å; F49-G52 VanDerWaalsContact O-N 3.13Å; G50-G52 PolarHBondContact O-N 3.39Å; G52-L55 PolarHBondContact O-N 2.71Å; G52-A56 VanDerWaalsContact O-CB 3.28Å; G52-A56 WeakPolarHBondContact O-CB 3.24Å; G52-A56 PolarHBondContact O-N 3.02Å |
| 53 | V | 72.5 | Confident | 67.4 | Low | 71 Ų | 71 | 77 Ų | 77 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | F49 G50 A56 T57 | F49-V53 HydrophobicContact CD1-CG2 4.12Å; F49-V53 HydrophobicContact CE1-CG2 3.73Å; F49-V53 HydrophobicContact CE2-CG2 4.41Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CG2 3.45Å; F49-V53 PolarHBondContact O-N 3.29Å; G50-V53 PolarHBondContact O-N 3.45Å; V53-A56 PolarHBondContact O-N 2.94Å; V53-T57 WeakPolarHBondContact O-CB 3.34Å; V53-T57 PolarHBondContact O-N 2.83Å; V53-T57 PolarHBondContact O-OG1 2.9Å |
| 54 | F | 68.1 | Low | 67.8 | Low | 106 Ų | 106 | 76.1 Ų | 76.1 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 173.5 | 178.6 | -103.7 | 0 | 0 | 0 | 111.6 | G50 G51 T57 C58 M97 | G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 3.46Å; G51-F54 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 2.85Å; F54-M97 HydrophobicContact CE1-CE 4.44Å; F54-M97 HydrophobicContact CE1-CG 4.38Å; F54-M97 HydrophobicContact CE2-CE 4.47Å; F54-M97 HydrophobicContact CZ-CE 3.88Å; F54-M97 HydrophobicContact CZ-CG 4.34Å; F54-M97 HydrophobicContact CZ-SD 4.26Å |
| 55 | L | 71.9 | Confident | 68.5 | Low | 64 Ų | 64 | 76 Ų | 76 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 178.5 | -167.6 | 72 | 0 | 0 | 0 | 111.8 | G51 G52 C58 F59 F94 | G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 3.13Å; G52-L55 PolarHBondContact O-N 2.71Å; L55-C58 WeakPolarHBondContact O-CB 3.4Å; L55-C58 PolarHBondContact O-N 3.49Å; L55-F59 HydrophobicContact CD1-CD2 4.08Å; L55-F59 HydrophobicContact CD1-CE2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 4.23Å; L55-F59 HydrophobicContact CG-CD2 3.83Å; L55-F59 HydrophobicContact CG-CE2 3.75Å; L55-F59 WeakPolarHBondContact O-CD2 3.16Å; L55-F59 PolarHBondContact O-N 2.76Å; L55-F94 HydrophobicContact CD1-CD2 4.21Å; L55-F94 HydrophobicContact CD1-CE2 3.56Å; L55-F94 HydrophobicContact CD1-CZ 4.09Å |
| 56 | A | 72.1 | Confident | 69.1 | Low | 57 Ų | 57 | 72.5 Ų | 72.5 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | G52 V53 N60 | G52-A56 VanDerWaalsContact O-CB 3.28Å; G52-A56 WeakPolarHBondContact O-CB 3.24Å; G52-A56 PolarHBondContact O-N 3.02Å; V53-A56 PolarHBondContact O-N 2.94Å; A56-N60 WeakPolarHBondContact O-CB 3.17Å; A56-N60 PolarHBondContact O-N 3.47Å |
| 57 | T | 77.3 | Confident | 69.3 | Low | 77 Ų | 77 | 74.7 Ų | 74.7 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | V53 F54 A61 L62 | V53-T57 WeakPolarHBondContact O-CB 3.34Å; V53-T57 PolarHBondContact O-N 2.83Å; V53-T57 PolarHBondContact O-OG1 2.9Å; F54-T57 PolarHBondContact O-N 3.27Å; T57-A61 HydrophobicContact CG2-CB 4.3Å; T57-A61 WeakPolarHBondContact O-CA 3.34Å; T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.13Å; T57-A61 PolarHBondContact O-N 2.76Å; T57-L62 PolarHBondContact O-N 2.89Å |
| 58 | C | 68.6 | Low | 69.8 | Low | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | I | π-helix | trans | -59.6 | -56.2 | 176.6 | -156.2 | 0 | 0 | 0 | 0 | 110 | F54 L55 N60 L62 L63 M90 | F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 2.85Å; L55-C58 WeakPolarHBondContact O-CB 3.4Å; L55-C58 PolarHBondContact O-N 3.49Å; C58-N60 PolarHBondContact O-N 2.75Å; C58-L62 HydrophobicContact CB-CD1 4.49Å; C58-L62 WeakPolarHBondContact O-CA 3.37Å; C58-L62 VanDerWaalsContact O-CB 3.27Å; C58-L62 WeakPolarHBondContact O-CB 3.28Å; C58-L62 PolarHBondContact O-N 3.06Å; C58-L63 PolarHBondContact O-N 2.91Å; C58-L63 VanDerWaalsContact O-N 3.14Å; C58-M90 VanDerWaalsContact C-CE 3.42Å; C58-M90 HydrophobicContact CB-CE 4.31Å; C58-M90 WeakPolarHBondContact O-CE 3.34Å; C58-M90 VanDerWaalsContact SG-CE 3.58Å |
| 59 | F | 71.4 | Confident | 70.2 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | I | π-helix | trans | -68.3 | -36.3 | -178.7 | -77.3 | -56.6 | 0 | 0 | 0 | 114.8 | L55 L63 M90 | L55-F59 HydrophobicContact CD1-CD2 4.08Å; L55-F59 HydrophobicContact CD1-CE2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 4.23Å; L55-F59 HydrophobicContact CG-CD2 3.83Å; L55-F59 HydrophobicContact CG-CE2 3.75Å; L55-F59 WeakPolarHBondContact O-CD2 3.16Å; L55-F59 PolarHBondContact O-N 2.76Å; F59-L63 HydrophobicContact CD1-CD1 3.74Å; F59-L63 HydrophobicContact CE1-CD1 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.1Å; F59-M90 HydrophobicContact CD1-CE 4.16Å; F59-M90 HydrophobicContact CE1-CG 4.45Å |
| 60 | N | 70.4 | Confident | 70.3 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | I | π-helix | trans | -91.4 | -31.7 | -172.7 | -160.6 | 34.9 | 0 | 0 | 0 | 113.1 | A56 C58 P64 | A56-N60 WeakPolarHBondContact O-CB 3.17Å; A56-N60 PolarHBondContact O-N 3.47Å; C58-N60 PolarHBondContact O-N 2.75Å; N60-P64 WeakPolarHBondContact O-CD 2.99Å; N60-P64 WeakPolarHBondContact O-CG 3.39Å |
| 61 | A | 73.5 | Confident | 70.4 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -103.8 | -42.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | T57 | T57-A61 HydrophobicContact CG2-CB 4.3Å; T57-A61 WeakPolarHBondContact O-CA 3.34Å; T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.13Å; T57-A61 PolarHBondContact O-N 2.76Å |
| 62 | L | 71.1 | Confident | 70.5 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | I | π-helix | trans | -80.9 | -35.8 | -177.7 | -61 | 177 | 0 | 0 | 0 | 112.3 | T57 C58 A65 V66 M90 | T57-L62 PolarHBondContact O-N 2.89Å; C58-L62 HydrophobicContact CB-CD1 4.49Å; C58-L62 WeakPolarHBondContact O-CA 3.37Å; C58-L62 VanDerWaalsContact O-CB 3.27Å; C58-L62 WeakPolarHBondContact O-CB 3.28Å; C58-L62 PolarHBondContact O-N 3.06Å; L62-A65 PolarHBondContact O-N 3.33Å; L62-V66 WeakPolarHBondContact O-CB 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.9Å; L62-M90 HydrophobicContact CB-CE 4.3Å |
| 63 | L | 70.2 | Confident | 70.5 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 179.4 | -157.8 | 145.5 | 0 | 0 | 0 | 113.7 | C58 F59 V66 R67 M90 | C58-L63 PolarHBondContact O-N 2.91Å; C58-L63 VanDerWaalsContact O-N 3.14Å; F59-L63 HydrophobicContact CD1-CD1 3.74Å; F59-L63 HydrophobicContact CE1-CD1 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.1Å; L63-V66 PolarHBondContact O-N 2.87Å; L63-R67 HydrophobicContact CD2-CG 4.04Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.47Å; L63-M90 HydrophobicContact CB-CE 3.9Å; L63-M90 HydrophobicContact CB-SD 3.77Å; L63-M90 HydrophobicContact CD1-CE 4.25Å; L63-M90 HydrophobicContact CD1-CG 4.27Å; L63-M90 HydrophobicContact CD1-SD 3.87Å; L63-M90 HydrophobicContact CG-CE 4.42Å; L63-M90 HydrophobicContact CG-SD 3.81Å |
| 64 | P | 69.1 | Low | 70.1 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 176.6 | 24.8 | -33 | 0 | 0 | 0 | 112.4 | N60 R67 D68 | N60-P64 WeakPolarHBondContact O-CD 2.99Å; N60-P64 WeakPolarHBondContact O-CG 3.39Å; P64-R67 PolarHBondContact O-N 2.85Å; P64-D68 WeakPolarHBondContact O-CB 3.47Å; P64-D68 PolarHBondContact O-N 2.88Å |
| 65 | A | 73.3 | Confident | 69.9 | Low | 50 Ų | 50 | 73.4 Ų | 73.4 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L62 D68 K69 | L62-A65 PolarHBondContact O-N 3.33Å; A65-D68 PolarHBondContact O-N 3.34Å; A65-K69 WeakPolarHBondContact O-CG 3.45Å; A65-K69 PolarHBondContact O-N 3.45Å |
| 66 | V | 70.3 | Confident | 69.4 | Low | 47 Ų | 47 | 78.6 Ų | 78.6 | 29% | 0.285 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L62 L63 K69 A70 A86 | L62-V66 WeakPolarHBondContact O-CB 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 2.87Å; V66-K69 PolarHBondContact O-N 2.87Å; V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 2.86Å; V66-A86 HydrophobicContact CG1-CB 4.31Å |
| 67 | R | 69.3 | Low | 68.9 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.2 | -72 | -87.4 | -176.4 | -168.1 | 6.5 | 111.5 | L63 P64 A71 A86 E87 | L63-R67 HydrophobicContact CD2-CG 4.04Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.47Å; P64-R67 PolarHBondContact O-N 2.85Å; R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.47Å; R67-A86 VanDerWaalsContact CD-CB 3.48Å; R67-A86 HydrophobicContact CG-CB 3.91Å; R67-E87 IonicContact CZ-OE2 3.81Å; R67-E87 IonicContact NH1-OE2 3.9Å; R67-E87 IonicContact NH2-OE1 2.74Å; R67-E87 PolarHBondContact NH2-OE1 3.41Å; R67-E87 IonicContact NH2-OE2 3.49Å; R67-E87 PolarHBondContact NH2-OE2 3.37Å |
| 68 | D | 72.8 | Confident | 67.8 | Low | 108 Ų | 108 | 87 Ų | 87 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 179.2 | -168.8 | -92.1 | 0 | 0 | 0 | 112 | P64 A65 A71 G72 | P64-D68 WeakPolarHBondContact O-CB 3.47Å; P64-D68 PolarHBondContact O-N 2.88Å; A65-D68 PolarHBondContact O-N 3.34Å; D68-A71 PolarHBondContact O-N 2.65Å; D68-G72 PolarHBondContact O-N 2.93Å; D68-G72 VanDerWaalsContact O-N 3.09Å |
| 69 | K | 70.3 | Confident | 67.1 | Low | 144 Ų | 144 | 89.5 Ų | 89.5 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.4 | -38.8 | 177 | -61.9 | -52.2 | 173.7 | -153.9 | 0 | 113.1 | A65 V66 A71 G72 V73 | A65-K69 WeakPolarHBondContact O-CG 3.45Å; A65-K69 PolarHBondContact O-N 3.45Å; V66-K69 PolarHBondContact O-N 2.87Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-G72 PolarHBondContact O-N 3.13Å; K69-V73 WeakPolarHBondContact O-CG2 3.49Å; K69-V73 PolarHBondContact O-N 2.97Å |
| 70 | A | 66.6 | Low | 66 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 12% | 0.116 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V66 V73 L74 A86 | V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 2.86Å; A70-V73 PolarHBondContact O-N 2.81Å; A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.45Å; A70-A86 HydrophobicContact CB-CB 4.21Å |
| 71 | A | 66.9 | Low | 65 | Low | 53 Ų | 53 | 87.5 Ų | 87.5 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | R67 D68 K69 L74 Q75 | R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.47Å; D68-A71 PolarHBondContact O-N 2.65Å; K69-A71 VanDerWaalsContact C-N 3.35Å; A71-L74 PolarHBondContact O-N 3.49Å; A71-Q75 PolarHBondContact O-N 2.94Å |
| 72 | G | 66.6 | Low | 64.2 | Low | 30 Ų | 30 | 93.2 Ų | 93.2 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D68 K69 Q75 Q76 | D68-G72 PolarHBondContact O-N 2.93Å; D68-G72 VanDerWaalsContact O-N 3.09Å; K69-G72 PolarHBondContact O-N 3.13Å; G72-Q75 PolarHBondContact O-N 2.86Å; G72-Q76 WeakPolarHBondContact O-CG 3.41Å; G72-Q76 PolarHBondContact O-N 3.5Å; G72-Q76 VanDerWaalsContact O-N 3.12Å |
| 73 | V | 67.9 | Low | 63.4 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | K69 A70 Q75 Q76 L77 | K69-V73 WeakPolarHBondContact O-CG2 3.49Å; K69-V73 PolarHBondContact O-N 2.97Å; A70-V73 PolarHBondContact O-N 2.81Å; V73-Q75 VanDerWaalsContact C-N 3.35Å; V73-Q75 PolarHBondContact O-N 3.49Å; V73-Q76 PolarHBondContact O-N 3.47Å; V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 PolarHBondContact O-N 2.96Å |
| 74 | L | 64.7 | Low | 63.2 | Low | 45 Ų | 45 | 97 Ų | 97 | 24% | 0.236 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.3 | -99.4 | 153.9 | 0 | 0 | 0 | 112.3 | A70 A71 L77 Q78 V79 L85 | A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.45Å; A71-L74 PolarHBondContact O-N 3.49Å; L74-L77 PolarHBondContact O-N 3.37Å; L74-Q78 PolarHBondContact O-N 2.79Å; L74-V79 VanDerWaalsContact CD2-O 3.23Å; L74-V79 WeakPolarHBondContact CD2-O 3.39Å; L74-L85 HydrophobicContact CD1-CD2 4.41Å |
| 75 | Q | 63.1 | Low | 63 | Low | 165 Ų | 165 | 97.2 Ų | 97.2 | 77% | 0.771 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 173 | -96 | -175.2 | -28.1 | 0 | 0 | 112.4 | A71 G72 V73 L77 | A71-Q75 PolarHBondContact O-N 2.94Å; G72-Q75 PolarHBondContact O-N 2.86Å; V73-Q75 VanDerWaalsContact C-N 3.35Å; V73-Q75 PolarHBondContact O-N 3.49Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3Å |
| 76 | Q | 62.4 | Low | 62.6 | Low | 172 Ų | 172 | 95.1 Ų | 95.1 | 80% | 0.804 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.4 | -26.2 | 177 | -72.5 | -168.7 | -73.6 | 0 | 0 | 113.2 | G72 V73 | G72-Q76 WeakPolarHBondContact O-CG 3.41Å; G72-Q76 PolarHBondContact O-N 3.5Å; G72-Q76 VanDerWaalsContact O-N 3.12Å; V73-Q76 PolarHBondContact O-N 3.47Å |
| 77 | L | 62.3 | Low | 62.6 | Low | 122 Ų | 122 | 97.5 Ų | 97.5 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.2 | -177.3 | -144.2 | 68 | 0 | 0 | 0 | 113.8 | V73 L74 Q75 V79 | V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 PolarHBondContact O-N 2.96Å; L74-L77 PolarHBondContact O-N 3.37Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3Å; L77-V79 WeakPolarHBondContact O-CG2 3.14Å; L77-V79 PolarHBondContact O-N 3.32Å |
| 78 | Q | 54 | Low | 62.7 | Low | 188 Ų | 188 | 96 Ų | 96 | 88% | 0.879 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 19.2 | 179.7 | -96.9 | -157.5 | -93.1 | 0 | 0 | 115.5 | L74 | L74-Q78 PolarHBondContact O-N 2.79Š|
| 79 | V | 54 | Low | 62.7 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | trans | -100.9 | 110.1 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | L74 L77 S81 | L74-V79 VanDerWaalsContact CD2-O 3.23Å; L74-V79 WeakPolarHBondContact CD2-O 3.39Å; L77-V79 WeakPolarHBondContact O-CG2 3.14Å; L77-V79 PolarHBondContact O-N 3.32Å; V79-S81 PolarHBondContact O-N 2.93Å | ||
| 80 | S | 47.9 | Very low | 62.8 | Low | 121 Ų | 121 | 90.4 Ų | 90.4 | 85% | 0.846 | 49% | 0.492 | S | S | * | . | trans | -73 | 72.4 | 169.3 | 64 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | S | 49.4 | Very low | 63.1 | Low | 65 Ų | 65 | 95 Ų | 95 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -93.4 | 106.4 | 168.4 | -88 | 0 | 0 | 0 | 0 | 108.8 | V79 Y83 | V79-S81 PolarHBondContact O-N 2.93Å; S81-Y83 PolarHBondContact O-N 3.31Å | ||
| 82 | D | 55.4 | Low | 63.6 | Low | 175 Ų | 175 | 96.4 Ų | 96.4 | 94% | 0.936 | 52% | 0.516 | S | S | * | . | trans | -62.2 | 31.6 | 162.5 | -88.3 | -58.1 | 0 | 0 | 0 | 112.3 | ||||
| 83 | Y | 55.5 | Low | 64 | Low | 154 Ų | 154 | 96.9 Ų | 96.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -102.9 | 131.2 | -174 | -152.2 | -98 | 0 | 0 | 0 | 109.5 | S81 L85 T88 | S81-Y83 PolarHBondContact O-N 3.31Å; Y83-L85 PolarHBondContact O-N 2.79Å; Y83-T88 HydrophobicContact CE1-CG2 4.24Å |
| 84 | P | 65.1 | Low | 64.3 | Low | 60 Ų | 60 | 96.2 Ų | 96.2 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | trans | -73.6 | 59.8 | 179.8 | 31.2 | -35.3 | 0 | 0 | 0 | 111.8 | A86 E87 T88 | P84-A86 PolarHBondContact O-N 3.37Å; P84-E87 HydrophobicContact CB-CB 4.24Å; P84-E87 WeakPolarHBondContact O-CB 3.24Å; P84-E87 PolarHBondContact O-N 2.94Å; P84-T88 PolarHBondContact O-N 3.49Å | ||
| 85 | L | 64.6 | Low | 64.7 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.9 | -40.3 | -176.2 | -169.9 | 80.4 | 0 | 0 | 0 | 111.8 | L74 Y83 E87 T88 M89 | L74-L85 HydrophobicContact CD1-CD2 4.41Å; Y83-L85 PolarHBondContact O-N 2.79Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.93Å; L85-T88 WeakPolarHBondContact CA-OG1 3.39Å; L85-T88 PolarHBondContact O-N 3.13Å; L85-T88 PolarHBondContact O-OG1 3.39Å; L85-M89 PolarHBondContact O-N 3.5Å |
| 86 | A | 66.4 | Low | 65.2 | Low | 7 Ų | 7 | 97.9 Ų | 97.9 | 6% | 0.058 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V66 R67 A70 P84 M90 | V66-A86 HydrophobicContact CG1-CB 4.31Å; R67-A86 VanDerWaalsContact CD-CB 3.48Å; R67-A86 HydrophobicContact CG-CB 3.91Å; A70-A86 HydrophobicContact CB-CB 4.21Å; P84-A86 PolarHBondContact O-N 3.37Å; A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 3.26Å |
| 87 | E | 69.3 | Low | 65.7 | Low | 96 Ų | 96 | 94.4 Ų | 94.4 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 179.3 | -133.8 | 155 | -173.1 | 0 | 0 | 111.1 | R67 P84 L85 M90 M91 | R67-E87 IonicContact CZ-OE2 3.81Å; R67-E87 IonicContact NH1-OE2 3.9Å; R67-E87 IonicContact NH2-OE1 2.74Å; R67-E87 PolarHBondContact NH2-OE1 3.41Å; R67-E87 IonicContact NH2-OE2 3.49Å; R67-E87 PolarHBondContact NH2-OE2 3.37Å; P84-E87 HydrophobicContact CB-CB 4.24Å; P84-E87 WeakPolarHBondContact O-CB 3.24Å; P84-E87 PolarHBondContact O-N 2.94Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.93Å; E87-M90 WeakPolarHBondContact O-CB 3.43Å; E87-M90 PolarHBondContact O-N 2.91Å; E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.34Å |
| 88 | T | 71.9 | Confident | 66.1 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 36% | 0.356 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | Y83 P84 L85 M90 M91 V92 | Y83-T88 HydrophobicContact CE1-CG2 4.24Å; P84-T88 PolarHBondContact O-N 3.49Å; L85-T88 WeakPolarHBondContact CA-OG1 3.39Å; L85-T88 PolarHBondContact O-N 3.13Å; L85-T88 PolarHBondContact O-OG1 3.39Å; T88-M90 VanDerWaalsContact C-N 3.28Å; T88-M90 PolarHBondContact O-N 3.1Å; T88-M91 PolarHBondContact O-N 3.41Å; T88-V92 WeakPolarHBondContact O-CB 3.17Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 3.19Å |
| 89 | M | 71.6 | Confident | 67 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -36.2 | 174.3 | -78.4 | -170.1 | 74.5 | 0 | 0 | 111.8 | L85 G93 | L85-M89 PolarHBondContact O-N 3.5Å; M89-G93 PolarHBondContact O-N 2.95Å |
| 90 | M | 74.1 | Confident | 67.9 | Low | 21 Ų | 21 | 89.6 Ų | 89.6 | 10% | 0.103 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 174.2 | -159.2 | 96.4 | -167.8 | 0 | 0 | 111.3 | C58 F59 L62 L63 A86 E87 T88 G93 F94 | C58-M90 VanDerWaalsContact C-CE 3.42Å; C58-M90 HydrophobicContact CB-CE 4.31Å; C58-M90 WeakPolarHBondContact O-CE 3.34Å; C58-M90 VanDerWaalsContact SG-CE 3.58Å; F59-M90 HydrophobicContact CD1-CE 4.16Å; F59-M90 HydrophobicContact CE1-CG 4.45Å; L62-M90 HydrophobicContact CB-CE 4.3Å; L63-M90 HydrophobicContact CB-CE 3.9Å; L63-M90 HydrophobicContact CB-SD 3.77Å; L63-M90 HydrophobicContact CD1-CE 4.25Å; L63-M90 HydrophobicContact CD1-CG 4.27Å; L63-M90 HydrophobicContact CD1-SD 3.87Å; L63-M90 HydrophobicContact CG-CE 4.42Å; L63-M90 HydrophobicContact CG-SD 3.81Å; A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 3.26Å; E87-M90 WeakPolarHBondContact O-CB 3.43Å; E87-M90 PolarHBondContact O-N 2.91Å; T88-M90 VanDerWaalsContact C-N 3.28Å; T88-M90 PolarHBondContact O-N 3.1Å; M90-G93 PolarHBondContact O-N 2.98Å; M90-F94 WeakPolarHBondContact O-CB 3.34Å; M90-F94 PolarHBondContact O-N 3.42Å |
| 91 | M | 72.6 | Confident | 68.7 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 179.9 | -72.4 | -65 | 158.8 | 0 | 0 | 112 | E87 T88 F94 F95 | E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.34Å; T88-M91 PolarHBondContact O-N 3.41Å; M91-F94 PolarHBondContact O-N 3.29Å; M91-F95 WeakPolarHBondContact O-CB 3.29Å; M91-F95 PolarHBondContact O-N 3.33Å |
| 92 | V | 76.3 | Confident | 69.4 | Low | 84 Ų | 84 | 87.9 Ų | 87.9 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | T88 F94 F95 I96 | T88-V92 WeakPolarHBondContact O-CB 3.17Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 3.19Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.49Å; V92-F95 PolarHBondContact O-N 2.97Å; V92-I96 HydrophobicContact CG1-CD1 3.69Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CB 3.48Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 2.88Å |
| 93 | G | 75 | Confident | 70.2 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | M89 M90 M97 | M89-G93 PolarHBondContact O-N 2.95Å; M90-G93 PolarHBondContact O-N 2.98Å; G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 PolarHBondContact O-N 3.41Å |
| 94 | F | 73.7 | Confident | 70.9 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.3 | -175.9 | -108.2 | 0 | 0 | 0 | 111.9 | L55 M90 M91 V92 I96 M97 L98 | L55-F94 HydrophobicContact CD1-CD2 4.21Å; L55-F94 HydrophobicContact CD1-CE2 3.56Å; L55-F94 HydrophobicContact CD1-CZ 4.09Å; M90-F94 WeakPolarHBondContact O-CB 3.34Å; M90-F94 PolarHBondContact O-N 3.42Å; M91-F94 PolarHBondContact O-N 3.29Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.49Å; F94-I96 PolarHBondContact O-N 2.83Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.34Å; F94-L98 HydrophobicContact CD1-CD1 3.93Å; F94-L98 HydrophobicContact CE1-CD1 3.37Å; F94-L98 HydrophobicContact CE1-CG 4.18Å; F94-L98 HydrophobicContact CE2-CD1 4.43Å; F94-L98 HydrophobicContact CE2-CG 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.39Å; F94-L98 HydrophobicContact CZ-CG 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.92Å |
| 95 | F | 74.4 | Confident | 70.7 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 179.4 | -156.7 | -92.2 | 0 | 0 | 0 | 112.4 | M91 V92 L98 F99 | M91-F95 WeakPolarHBondContact O-CB 3.29Å; M91-F95 PolarHBondContact O-N 3.33Å; V92-F95 PolarHBondContact O-N 2.97Å; F95-L98 PolarHBondContact O-N 3.47Å; F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.2Å; F95-F99 PolarHBondContact O-N 3.44Å |
| 96 | I | 72.3 | Confident | 70.9 | Confident | 98 Ų | 98 | 75.7 Ų | 75.7 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.1 | -69.4 | 170.4 | 0 | 0 | 0 | 110.7 | V92 F94 L98 F99 V100 | V92-I96 HydrophobicContact CG1-CD1 3.69Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CB 3.48Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 2.88Å; F94-I96 PolarHBondContact O-N 2.83Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.43Å; I96-F99 PolarHBondContact O-N 2.9Å; I96-V100 HydrophobicContact CG2-CG2 4.37Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 2.84Å |
| 97 | M | 74.6 | Confident | 71 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 176 | -172.7 | 81.6 | -172.8 | 0 | 0 | 110.9 | F54 G93 F94 V100 E101 | F54-M97 HydrophobicContact CE1-CE 4.44Å; F54-M97 HydrophobicContact CE1-CG 4.38Å; F54-M97 HydrophobicContact CE2-CE 4.47Å; F54-M97 HydrophobicContact CZ-CE 3.88Å; F54-M97 HydrophobicContact CZ-CG 4.34Å; F54-M97 HydrophobicContact CZ-SD 4.26Å; G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 PolarHBondContact O-N 3.41Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.34Å; M97-V100 PolarHBondContact O-N 3.48Å; M97-E101 WeakPolarHBondContact O-CB 3.39Å; M97-E101 PolarHBondContact O-N 3.42Å; M97-E101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 70.3 | Confident | 70.7 | Confident | 68 Ų | 68 | 84 Ų | 84 | 36% | 0.356 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 176.3 | -68.2 | -177 | 0 | 0 | 0 | 112.2 | F94 F95 I96 E101 Q102 | F94-L98 HydrophobicContact CD1-CD1 3.93Å; F94-L98 HydrophobicContact CE1-CD1 3.37Å; F94-L98 HydrophobicContact CE1-CG 4.18Å; F94-L98 HydrophobicContact CE2-CD1 4.43Å; F94-L98 HydrophobicContact CE2-CG 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.39Å; F94-L98 HydrophobicContact CZ-CG 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.47Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.43Å; L98-E101 PolarHBondContact O-N 2.94Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.27Å; L98-Q102 PolarHBondContact O-N 3.48Å |
| 99 | F | 73.6 | Confident | 69.6 | Low | 137 Ų | 137 | 90.6 Ų | 90.6 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 179 | 179 | -99 | 0 | 0 | 0 | 111.7 | F95 I96 E101 Q102 A103 | F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.2Å; F95-F99 PolarHBondContact O-N 3.44Å; I96-F99 PolarHBondContact O-N 2.9Å; F99-E101 VanDerWaalsContact C-N 3.3Å; F99-E101 PolarHBondContact O-N 3.25Å; F99-Q102 PolarHBondContact O-N 3.45Å; F99-A103 WeakPolarHBondContact O-CB 2.98Å; F99-A103 PolarHBondContact O-N 2.91Å |
| 100 | V | 71.6 | Confident | 68.5 | Low | 79 Ų | 79 | 88.5 Ų | 88.5 | 48% | 0.479 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I96 M97 A103 V104 | I96-V100 HydrophobicContact CG2-CG2 4.37Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 2.84Å; M97-V100 PolarHBondContact O-N 3.48Å; V100-A103 PolarHBondContact O-N 2.92Å; V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.26Å; V100-V104 WeakPolarHBondContact O-CG2 3.44Å; V100-V104 PolarHBondContact O-N 3.49Å |
| 101 | E | 65.9 | Low | 67.1 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 34% | 0.341 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 177.7 | -178.7 | 145.9 | -136.8 | 0 | 0 | 112.3 | M97 L98 F99 V104 L105 R159 | M97-E101 WeakPolarHBondContact O-CB 3.39Å; M97-E101 PolarHBondContact O-N 3.42Å; M97-E101 VanDerWaalsContact O-N 3.08Å; L98-E101 PolarHBondContact O-N 2.94Å; F99-E101 VanDerWaalsContact C-N 3.3Å; F99-E101 PolarHBondContact O-N 3.25Å; E101-V104 PolarHBondContact O-N 2.84Å; E101-L105 HydrophobicContact CG-CD1 4.47Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 2.77Å; E101-L105 VanDerWaalsContact O-N 3.15Å; E101-R159 IonicContact OE1-CZ 2.83Å; E101-R159 IonicContact OE1-NH1 2.75Å; E101-R159 PolarHBondContact OE1-NH1 3.33Å; E101-R159 IonicContact OE1-NH2 3.13Å |
| 102 | Q | 63.3 | Low | 65.6 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 36% | 0.36 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 177.4 | -63.6 | -59.9 | -11 | 0 | 0 | 112.3 | L98 F99 L105 T106 | L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.27Å; L98-Q102 PolarHBondContact O-N 3.48Å; F99-Q102 PolarHBondContact O-N 3.45Å; Q102-L105 PolarHBondContact O-N 3.46Å; Q102-T106 WeakPolarHBondContact O-CB 3.09Å; Q102-T106 PolarHBondContact O-N 2.91Å; Q102-T106 PolarHBondContact O-OG1 3.44Å |
| 103 | A | 71.3 | Confident | 64.2 | Low | 23 Ų | 23 | 95.9 Ų | 95.9 | 19% | 0.19 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F99 V100 L105 T106 F107 | F99-A103 WeakPolarHBondContact O-CB 2.98Å; F99-A103 PolarHBondContact O-N 2.91Å; V100-A103 PolarHBondContact O-N 2.92Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 2.96Å; A103-T106 PolarHBondContact O-N 3.44Å; A103-T106 VanDerWaalsContact O-N 3.16Å; A103-F107 HydrophobicContact CB-CD2 4.26Å; A103-F107 HydrophobicContact CB-CE2 4.15Å; A103-F107 WeakPolarHBondContact O-CD2 3.3Å; A103-F107 PolarHBondContact O-N 2.86Å |
| 104 | V | 70.4 | Confident | 62.7 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 33% | 0.333 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 178.4 | 169 | 0 | 0 | 0 | 0 | 111.5 | V100 E101 R108 | V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.26Å; V100-V104 WeakPolarHBondContact O-CG2 3.44Å; V100-V104 PolarHBondContact O-N 3.49Å; E101-V104 PolarHBondContact O-N 2.84Å; V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 WeakPolarHBondContact O-CD 3.48Å; V104-R108 WeakPolarHBondContact O-CG 3.25Å; V104-R108 PolarHBondContact O-N 3.39Å; V104-R108 VanDerWaalsContact O-N 3.14Å |
| 105 | L | 62.1 | Low | 61.5 | Low | 28 Ų | 28 | 103.4 Ų | 103.4 | 15% | 0.147 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.2 | -68.3 | 171.2 | 0 | 0 | 0 | 111.6 | E101 Q102 A103 R108 | E101-L105 HydrophobicContact CG-CD1 4.47Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 2.77Å; E101-L105 VanDerWaalsContact O-N 3.15Å; Q102-L105 PolarHBondContact O-N 3.46Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 2.96Å; L105-R108 PolarHBondContact O-N 3.39Å |
| 106 | T | 68.8 | Low | 60 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | Q102 A103 R108 K109 | Q102-T106 WeakPolarHBondContact O-CB 3.09Å; Q102-T106 PolarHBondContact O-N 2.91Å; Q102-T106 PolarHBondContact O-OG1 3.44Å; A103-T106 PolarHBondContact O-N 3.44Å; A103-T106 VanDerWaalsContact O-N 3.16Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.89Å; T106-K109 PolarHBondContact O-N 3.39Å |
| 107 | F | 68 | Low | 58.6 | Low | 180 Ų | 180 | 100.5 Ų | 100.5 | 79% | 0.789 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.7 | -28.5 | 178.2 | -76.3 | -64.2 | 0 | 0 | 0 | 113.1 | A103 K109 | A103-F107 HydrophobicContact CB-CD2 4.26Å; A103-F107 HydrophobicContact CB-CE2 4.15Å; A103-F107 WeakPolarHBondContact O-CD2 3.3Å; A103-F107 PolarHBondContact O-N 2.86Å; F107-K109 PolarHBondContact O-N 2.91Å |
| 108 | R | 62.3 | Low | 57.3 | Low | 97 Ų | 97 | 104 Ų | 104 | 37% | 0.366 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.9 | 178.5 | -77.3 | 173 | 60.4 | 142.5 | 2 | 114.1 | V104 L105 T106 E110 | V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 WeakPolarHBondContact O-CD 3.48Å; V104-R108 WeakPolarHBondContact O-CG 3.25Å; V104-R108 PolarHBondContact O-N 3.39Å; V104-R108 VanDerWaalsContact O-N 3.14Å; L105-R108 PolarHBondContact O-N 3.39Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.89Å; R108-E110 IonicContact CZ-OE2 2.76Å; R108-E110 IonicContact NE-OE2 3.97Å; R108-E110 PolarHBondContact NE-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.79Å; R108-E110 IonicContact NH2-OE2 3.86Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.48Å |
| 109 | K | 49.8 | Very low | 56 | Low | 197 Ų | 197 | 104.4 Ų | 104.4 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 14.9 | -172.4 | -91 | -170.8 | 171.5 | 79.7 | 0 | 113.2 | T106 F107 K111 | T106-K109 PolarHBondContact O-N 3.39Å; F107-K109 PolarHBondContact O-N 2.91Å; K109-K111 PolarHBondContact O-N 2.86Å |
| 110 | E | 49.1 | Very low | 54.4 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 33% | 0.327 | 54% | 0.542 | S | S | . | . | trans | -78.3 | 122.1 | 165.5 | -81.1 | 173.3 | 113.6 | 0 | 0 | 105.6 | R108 | R108-E110 IonicContact CZ-OE2 2.76Å; R108-E110 IonicContact NE-OE2 3.97Å; R108-E110 PolarHBondContact NE-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.79Å; R108-E110 IonicContact NH2-OE2 3.86Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.48Å | ||
| 111 | K | 44.6 | Very low | 53.1 | Low | 194 Ų | 194 | 110.5 Ų | 110.5 | 84% | 0.843 | 56% | 0.557 | S | S | * | * | trans | -45.7 | 130.8 | 173.5 | -64.1 | 175.8 | -179.7 | 177.7 | 0 | 107.4 | K109 S113 | K109-K111 PolarHBondContact O-N 2.86Å; K111-S113 PolarHBondContact O-N 2.98Å | ||
| 112 | P | 40.2 | Very low | 51.9 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | trans | -54.4 | 122.2 | -176 | 22.8 | -32.2 | 0 | 0 | 0 | 107.6 | F114 | P112-F114 HydrophobicContact CB-CB 4.41Å; P112-F114 PolarHBondContact O-N 3.38Å | ||
| 113 | S | 47.3 | Very low | 50.8 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | trans | -72.4 | 55 | 169 | 59.9 | 0 | 0 | 0 | 0 | 108.4 | K111 I115 | K111-S113 PolarHBondContact O-N 2.98Å; S113-I115 PolarHBondContact O-N 2.87Å | ||
| 114 | F | 43.8 | Very low | 49.2 | Very low | 141 Ų | 141 | 114.8 Ų | 114.8 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | trans | -78.5 | 77.2 | 174 | -168.2 | -93.6 | 0 | 0 | 0 | 106.5 | P112 | P112-F114 HydrophobicContact CB-CB 4.41Å; P112-F114 PolarHBondContact O-N 3.38Å | ||
| 115 | I | 48.4 | Very low | 47.4 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 67% | 0.672 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 67.3 | 135.9 | 176.9 | -51.3 | 171.2 | 0 | 0 | 0 | 110.1 | S113 L117 | S113-I115 PolarHBondContact O-N 2.87Å; I115-L117 PolarHBondContact O-N 2.86Å |
| 116 | A | 43.3 | Very low | 46.3 | Very low | 47 Ų | 47 | 126 Ų | 126 | 39% | 0.388 | 68% | 0.681 | S | S | . | * | trans | -65.3 | 73.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E118 T119 | A116-E118 PolarHBondContact O-N 3.01Å; A116-T119 WeakPolarHBondContact CB-OG1 3.43Å; A116-T119 WeakPolarHBondContact O-CB 3.15Å; A116-T119 PolarHBondContact O-N 2.91Å; A116-T119 PolarHBondContact O-OG1 2.85Å | ||
| 117 | L | 42.9 | Very low | 45.2 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -66.7 | -12.3 | 175.2 | -159.4 | 131.2 | 0 | 0 | 0 | 110.7 | I115 T119 | I115-L117 PolarHBondContact O-N 2.86Å; L117-T119 VanDerWaalsContact C-N 3.29Å |
| 118 | E | 45.8 | Very low | 43.6 | Very low | 172 Ų | 172 | 122.2 Ų | 122.2 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -76.1 | -12.3 | 169.3 | -53.2 | -153.3 | 129.3 | 0 | 0 | 113.5 | A116 T122 | A116-E118 PolarHBondContact O-N 3.01Å; E118-T122 PolarHBondContact O-OG1 3.36Å |
| 119 | T | 43.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 47% | 0.472 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -79.8 | -15.9 | 174.2 | -56 | 0 | 0 | 0 | 0 | 112.7 | H40 A116 L117 | H40-T119 PolarHBondContact CE1-OG1 3.38Å; A116-T119 WeakPolarHBondContact CB-OG1 3.43Å; A116-T119 WeakPolarHBondContact O-CB 3.15Å; A116-T119 PolarHBondContact O-N 2.91Å; A116-T119 PolarHBondContact O-OG1 2.85Å; L117-T119 VanDerWaalsContact C-N 3.29Å |
| 120 | F | 41.4 | Very low | 41.9 | Very low | 195 Ų | 195 | 121.2 Ų | 121.2 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -95.9 | -10.9 | 177.9 | -128.2 | -87.4 | 0 | 0 | 0 | 114.1 | ||
| 121 | N | 44.3 | Very low | 41.4 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -100.4 | 11.2 | 177 | -157.6 | 29.2 | 0 | 0 | 0 | 114 | ||
| 122 | T | 39.5 | Very low | 40.9 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -118.4 | 16.1 | 175.8 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | E118 | E118-T122 PolarHBondContact O-OG1 3.36Š|
| 123 | G | 41.5 | Very low | 40.5 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -103.4 | 86.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 124 | G | 36.8 | Very low | 39.8 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 148.2 | 107 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 125 | S | 32.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | 106.4 | 94.1 | 154 | -37.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 126 | E | 39.9 | Very low | 39.1 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -108.6 | 159.7 | 136.7 | -53.4 | -168.3 | 100 | 0 | 0 | 106.3 | ||||
| 127 | P | 44.2 | Very low | 38.3 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -133.1 | 159.9 | -2.3 | 37.2 | -18.8 | 0 | 0 | 0 | 114.8 | ||||
| 128 | G | 35.5 | Very low | 37.9 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 83.4 | 114.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 129 | S | 35 | Very low | 37 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | -174.9 | 133.4 | 129.7 | -159.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 130 | D | 40 | Very low | 36.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 127.8 | -172.9 | -29.9 | -51.5 | 0 | 0 | 0 | 109.4 | ||||
| 131 | S | 38.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -158 | 105.8 | 153.6 | 48 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 132 | E | 34.5 | Very low | 35.4 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -52.5 | 128.2 | 155.9 | -80.5 | 157.8 | 53 | 0 | 0 | 109.6 | ||||
| 133 | Y | 33.3 | Very low | 35 | Very low | 234 Ų | 234 | 134.7 Ų | 134.7 | 92% | 0.918 | 82% | 0.82 | S | S | * | * | trans | -155.3 | 99.7 | 138.3 | -112.2 | -81.2 | 0 | 0 | 0 | 108 | ||||
| 134 | D | 32.5 | Very low | 34.7 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -48.8 | 143.9 | 161.5 | -88.9 | -64.9 | 0 | 0 | 0 | 111.3 | ||||
| 135 | A | 34 | Very low | 34.6 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | 173.8 | 171.6 | 110.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 136 | P | 42.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | -142.7 | 123 | -100.1 | 32 | -8.2 | 0 | 0 | 0 | 113 | |||||
| 137 | F | 26.7 | Very low | 34.6 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 104.9 | 162.8 | -151.8 | -107.3 | 0 | 0 | 0 | 112.3 | ||||
| 138 | L | 33.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 41.8 | 109.5 | 150.2 | -71.3 | 141.5 | 0 | 0 | 0 | 116.3 | ||||
| 139 | G | 27.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | 140.5 | 125.8 | 27.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 140 | G | 31.4 | Very low | 34.8 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | trans | 62.6 | 102.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 141 | G | 27.4 | Very low | 34.9 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 177.5 | 67.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R143 | G141-R143 PolarHBondContact O-N 3.5Š| ||
| 142 | H | 37.4 | Very low | 35.2 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 103.4 | 162 | -109.7 | -38.1 | 0 | 0 | 0 | 109.3 | ||||
| 143 | R | 29.9 | Very low | 35.6 | Very low | 239 Ų | 239 | 131.7 Ų | 131.7 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -117 | 99.8 | 162.1 | -106.8 | -177.6 | 174.4 | -164.5 | -1.1 | 108.1 | G141 G145 | G141-R143 PolarHBondContact O-N 3.5Å; R143-G145 VanDerWaalsContact C-N 3.28Å; R143-G145 PolarHBondContact O-N 2.86Å | ||
| 144 | H | 35.9 | Very low | 36 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | trans | -60.6 | 94.1 | 159.8 | -90.1 | -88.3 | 0 | 0 | 0 | 108.4 | H146 | H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.31Å | ||
| 145 | G | 34.3 | Very low | 36.7 | Very low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | -74.8 | 86.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R143 F147 | R143-G145 VanDerWaalsContact C-N 3.28Å; R143-G145 PolarHBondContact O-N 2.86Å; G145-F147 PolarHBondContact O-N 3.07Å | ||
| 146 | H | 35.1 | Very low | 37.9 | Very low | 185 Ų | 185 | 114.5 Ų | 114.5 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 91.8 | 164.2 | -135.7 | -79.7 | 0 | 0 | 0 | 107 | H144 G148 | H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.31Å; H146-G148 VanDerWaalsContact C-N 3.33Å; H146-G148 PolarHBondContact O-N 3.3Å | ||
| 147 | F | 37.8 | Very low | 38.5 | Very low | 191 Ų | 191 | 112.5 Ų | 112.5 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -68 | 95.1 | 175.6 | -107 | -93.7 | 0 | 0 | 0 | 107.7 | G145 | G145-F147 PolarHBondContact O-N 3.07Š| ||
| 148 | G | 33.9 | Very low | 39.7 | Very low | 45 Ų | 45 | 109.3 Ų | 109.3 | 46% | 0.464 | 67% | 0.669 | S | S | . | * | trans | -61.3 | 139.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H146 G150 | H146-G148 VanDerWaalsContact C-N 3.33Å; H146-G148 PolarHBondContact O-N 3.3Å; G148-G150 PolarHBondContact O-N 3.25Å | ||
| 149 | P | 42.8 | Very low | 40.7 | Very low | 105 Ų | 105 | 107.3 Ų | 107.3 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 2.5 | 175.8 | -21.6 | 31.7 | 0 | 0 | 0 | 115.7 | ||
| 150 | G | 41 | Very low | 42 | Very low | 59 Ų | 59 | 105.7 Ų | 105.7 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -13.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | G148 | G148-G150 PolarHBondContact O-N 3.25Š|
| 151 | H | 42.3 | Very low | 43.1 | Very low | 145 Ų | 145 | 104 Ų | 104 | 67% | 0.671 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -87.1 | -14.1 | -170 | -142.8 | 179.7 | 0 | 0 | 0 | 114.6 | ||
| 152 | L | 45.3 | Very low | 45 | Very low | 143 Ų | 143 | 102.5 Ų | 102.5 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -86 | -13.6 | 173.5 | -75.5 | 162.3 | 0 | 0 | 0 | 113.1 | ||
| 153 | A | 43.1 | Very low | 46.2 | Very low | 67 Ų | 67 | 98 Ų | 98 | 55% | 0.554 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P157 | A153-P157 WeakPolarHBondContact O-CD 3.25Å; A153-P157 WeakPolarHBondContact O-CG 3.2Å |
| 154 | G | 41 | Very low | 48 | Very low | 37 Ų | 37 | 90.5 Ų | 90.5 | 38% | 0.381 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -25.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 155 | A | 48.7 | Very low | 49.3 | Very low | 40 Ų | 40 | 88.2 Ų | 88.2 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -29.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 156 | G | 59.3 | Low | 50.6 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.2 | -50 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L160 | G156-L160 PolarHBondContact O-N 2.9Å |
| 157 | P | 54.2 | Low | 51.4 | Low | 73 Ų | 73 | 84 Ų | 84 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.9 | -28.3 | -171 | 26.1 | -30.4 | 0 | 0 | 0 | 113.3 | A153 A161 | A153-P157 WeakPolarHBondContact O-CD 3.25Å; A153-P157 WeakPolarHBondContact O-CG 3.2Å; P157-A161 WeakPolarHBondContact O-CB 3.15Å; P157-A161 PolarHBondContact O-N 2.86Å |
| 158 | L | 52.5 | Low | 52.2 | Low | 125 Ų | 125 | 77.6 Ų | 77.6 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.7 | -36.6 | 177.8 | -88.6 | 160.2 | 0 | 0 | 0 | 112.8 | G162 | L158-G162 PolarHBondContact O-N 3.45Å |
| 159 | R | 54.3 | Low | 53.7 | Low | 107 Ų | 107 | 77.9 Ų | 77.9 | 40% | 0.404 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 173.8 | -79.4 | -154.1 | 174.2 | 171.5 | -0.1 | 111.8 | E101 L163 | E101-R159 IonicContact OE1-CZ 2.83Å; E101-R159 IonicContact OE1-NH1 2.75Å; E101-R159 PolarHBondContact OE1-NH1 3.33Å; E101-R159 IonicContact OE1-NH2 3.13Å; R159-L163 WeakPolarHBondContact O-CB 3.29Å; R159-L163 PolarHBondContact O-N 2.9Å |
| 160 | L | 54.3 | Low | 54.4 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.204 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -74.1 | -38.3 | 174.1 | -97.3 | 129.3 | 0 | 0 | 0 | 113.9 | M18 I22 G156 G162 L163 V164 | M18-L160 HydrophobicContact CB-CD2 4.12Å; M18-L160 HydrophobicContact CE-CD2 4.07Å; M18-L160 HydrophobicContact CG-CD2 4.48Å; M18-L160 HydrophobicContact SD-CD2 3.6Å; M18-L160 VanDerWaalsContact SD-CD2 3.6Å; I22-L160 HydrophobicContact CD1-CB 3.92Å; I22-L160 HydrophobicContact CD1-CD1 3.47Å; I22-L160 VanDerWaalsContact CD1-CD1 3.47Å; I22-L160 HydrophobicContact CD1-CD2 3.2Å; I22-L160 HydrophobicContact CD1-CG 3.62Å; I22-L160 HydrophobicContact CG1-CD1 3.23Å; I22-L160 HydrophobicContact CG1-CD2 3.78Å; I22-L160 HydrophobicContact CG1-CG 3.95Å; G156-L160 PolarHBondContact O-N 2.9Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-L163 PolarHBondContact O-N 3.25Å; L160-V164 WeakPolarHBondContact O-CB 2.99Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 3.03Å |
| 161 | A | 55.7 | Low | 55.1 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P157 V164 L165 | P157-A161 WeakPolarHBondContact O-CB 3.15Å; P157-A161 PolarHBondContact O-N 2.86Å; A161-V164 PolarHBondContact O-N 3.32Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 PolarHBondContact O-N 3.33Å |
| 162 | G | 66 | Low | 55.5 | Low | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L158 L160 L165 A166 | L158-G162 PolarHBondContact O-N 3.45Å; L160-G162 VanDerWaalsContact C-N 3.3Å; G162-L165 PolarHBondContact O-N 2.89Å; G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.22Å; G162-A166 PolarHBondContact O-N 2.95Å |
| 163 | L | 62.3 | Low | 55.3 | Low | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.6 | -102.8 | 158.3 | 0 | 0 | 0 | 112.5 | M18 R159 L160 L165 A166 L167 | M18-L163 HydrophobicContact CE-CB 4.5Å; R159-L163 WeakPolarHBondContact O-CB 3.29Å; R159-L163 PolarHBondContact O-N 2.9Å; L160-L163 PolarHBondContact O-N 3.25Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-A166 PolarHBondContact O-N 3.16Å; L163-L167 HydrophobicContact CD2-CD1 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.23Å; L163-L167 PolarHBondContact O-N 3.5Å |
| 164 | V | 67.6 | Low | 55.9 | Low | 81 Ų | 81 | 87 Ų | 87 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.1 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | M18 L160 A161 L167 S168 | M18-V164 HydrophobicContact CE-CG2 4Å; L160-V164 WeakPolarHBondContact O-CB 2.99Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 3.03Å; A161-V164 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.42Å; V164-S168 WeakPolarHBondContact O-CB 3.23Å; V164-S168 PolarHBondContact O-N 3.32Å |
| 165 | L | 64.5 | Low | 56.7 | Low | 122 Ų | 122 | 89.6 Ų | 89.6 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.3 | -37.9 | 177.7 | -162.1 | 147.2 | 0 | 0 | 0 | 111.6 | A161 G162 L163 S168 A169 | A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 PolarHBondContact O-N 3.33Å; G162-L165 PolarHBondContact O-N 2.89Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-A169 WeakPolarHBondContact O-CB 3.05Å; L165-A169 PolarHBondContact O-N 3.02Å |
| 166 | A | 60.9 | Low | 57.2 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G162 L163 H170 | G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.22Å; G162-A166 PolarHBondContact O-N 2.95Å; L163-A166 PolarHBondContact O-N 3.16Å; A166-H170 PolarHBondContact O-N 3.46Å |
| 167 | L | 52.6 | Low | 57 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 174.2 | -86.1 | 155.4 | 0 | 0 | 0 | 112.1 | M18 L163 V164 H170 S171 | M18-L167 HydrophobicContact CE-CD1 4.15Å; L163-L167 HydrophobicContact CD2-CD1 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.23Å; L163-L167 PolarHBondContact O-N 3.5Å; V164-L167 PolarHBondContact O-N 3.42Å; L167-H170 PolarHBondContact O-N 2.8Å; L167-S171 PolarHBondContact O-N 3.29Å |
| 168 | S | 53.3 | Low | 57.2 | Low | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 175.1 | 162.7 | 0 | 0 | 0 | 0 | 111.8 | V164 L165 H170 S171 | V164-S168 WeakPolarHBondContact O-CB 3.23Å; V164-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-N 3.38Å; S168-H170 VanDerWaalsContact C-N 3.29Å; S168-H170 PolarHBondContact O-N 3.17Å; S168-S171 PolarHBondContact O-N 2.88Å; S168-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-OG 3.49Å |
| 169 | A | 66.7 | Low | 57.5 | Low | 51 Ų | 51 | 95.1 Ų | 95.1 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L165 S171 L172 | L165-A169 WeakPolarHBondContact O-CB 3.05Å; L165-A169 PolarHBondContact O-N 3.02Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 2.72Å; A169-L172 PolarHBondContact O-N 3.04Å |
| 170 | H | 57.4 | Low | 57.8 | Low | 156 Ų | 156 | 94.3 Ų | 94.3 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.2 | -21.7 | 175.7 | -159.9 | 100 | 0 | 0 | 0 | 113.2 | A166 L167 S168 | A166-H170 PolarHBondContact O-N 3.46Å; L167-H170 PolarHBondContact O-N 2.8Å; S168-H170 VanDerWaalsContact C-N 3.29Å; S168-H170 PolarHBondContact O-N 3.17Å |
| 171 | S | 54.8 | Low | 58 | Low | 78 Ų | 78 | 98.5 Ų | 98.5 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -8.1 | 178.6 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | L167 S168 A169 | L167-S171 PolarHBondContact O-N 3.29Å; S168-S171 PolarHBondContact O-N 2.88Å; S168-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-OG 3.49Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 2.72Å |
| 172 | L | 52.3 | Low | 58.2 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | trans | -96.7 | -11.9 | -179.9 | -82.3 | 163.2 | 0 | 0 | 0 | 113.7 | A169 | A169-L172 PolarHBondContact O-N 3.04Š| ||
| 173 | F | 40.7 | Very low | 57.5 | Low | 248 Ų | 248 | 107.6 Ų | 107.6 | 100% | 1.088 | 59% | 0.594 | S | S | * | * | trans | -110.4 | 0 | 172 | -79.4 | -83.1 | 0 | 0 | 0 | 110.1 |
Retrieved 173 of 173 residues in 82.3 ms
(Link to these results)