| 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 | 69 | Low | 89.9 | Confident | 201 Ų | 201 | 114.7 Ų | 114.7 | 99% | 0.99 | 62% | 0.618 | S | S | * | * | 0 | -44 | 0 | -82.8 | 175.5 | 67.1 | 0 | 0 | 113.4 | L3 L4 V5 | M1-L3 PolarHBondContact O-N 2.75Å; M1-L4 PolarHBondContact O-N 2.99Å; M1-V5 PolarHBondContact O-N 2.71Å | |||
| 2 | N | 86.5 | Confident | 90.2 | Very high | 128 Ų | 128 | 112 Ų | 112 | 68% | 0.684 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -40.6 | -171.6 | -60.6 | -8.4 | 0 | 0 | 0 | 115.2 | L4 V5 I6 | N2-L4 PolarHBondContact O-N 3.41Å; N2-V5 PolarHBondContact O-N 2.9Å; N2-I6 WeakPolarHBondContact O-CD1 3.35Å; N2-I6 VanDerWaalsContact O-CG1 3.25Å; N2-I6 WeakPolarHBondContact O-CG1 3.43Å; N2-I6 PolarHBondContact O-N 3.23Å |
| 3 | L | 89.8 | Confident | 90.4 | Very high | 134 Ų | 134 | 107.7 Ų | 107.7 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64 | -41.5 | -177.9 | -168 | 69.6 | 0 | 0 | 0 | 112.7 | M1 I6 C7 | M1-L3 PolarHBondContact O-N 2.75Å; L3-I6 PolarHBondContact O-N 3.44Å; L3-C7 PolarHBondContact O-N 2.68Å; L3-C7 PolarHBondContact O-SG 3.42Å |
| 4 | L | 90.5 | Very high | 90.6 | Very high | 141 Ų | 141 | 104.1 Ų | 104.1 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 177.7 | -72.3 | 174 | 0 | 0 | 0 | 111.9 | M1 N2 I6 C7 F8 | M1-L4 PolarHBondContact O-N 2.99Å; N2-L4 PolarHBondContact O-N 3.41Å; L4-I6 VanDerWaalsContact C-N 3.34Å; L4-C7 PolarHBondContact O-N 3.27Å; L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 2.85Å |
| 5 | V | 92.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -41.3 | 177 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | M1 N2 F8 S9 | M1-V5 PolarHBondContact O-N 2.71Å; N2-V5 PolarHBondContact O-N 2.9Å; V5-F8 PolarHBondContact O-N 2.74Å; V5-S9 WeakPolarHBondContact O-CB 3.43Å; V5-S9 PolarHBondContact O-N 3.18Å; V5-S9 PolarHBondContact O-OG 3.35Å |
| 6 | I | 92.6 | Very high | 90.3 | Very high | 93 Ų | 93 | 102.6 Ų | 102.6 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -45.5 | 176.7 | -65.3 | 163.7 | 0 | 0 | 0 | 110.9 | N2 L3 L4 F8 S9 V10 | N2-I6 WeakPolarHBondContact O-CD1 3.35Å; N2-I6 VanDerWaalsContact O-CG1 3.25Å; N2-I6 WeakPolarHBondContact O-CG1 3.43Å; N2-I6 PolarHBondContact O-N 3.23Å; L3-I6 PolarHBondContact O-N 3.44Å; L4-I6 VanDerWaalsContact C-N 3.34Å; I6-F8 VanDerWaalsContact C-N 3.31Å; I6-F8 PolarHBondContact O-N 2.7Å; I6-S9 PolarHBondContact O-N 3.2Å; I6-S9 PolarHBondContact O-OG 2.82Å; I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.47Å; I6-V10 VanDerWaalsContact O-CG2 3.3Å; I6-V10 WeakPolarHBondContact O-CG2 3.2Å; I6-V10 PolarHBondContact O-N 3.31Å |
| 7 | C | 93.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 102 Ų | 102 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.7 | -41.8 | 176.7 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | L3 L4 L11 | L3-C7 PolarHBondContact O-N 2.68Å; L3-C7 PolarHBondContact O-SG 3.42Å; L4-C7 PolarHBondContact O-N 3.27Å; C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.28Å; C7-L11 PolarHBondContact O-N 2.93Å |
| 8 | F | 93.7 | Very high | 89.8 | Confident | 140 Ų | 140 | 99.5 Ų | 99.5 | 61% | 0.614 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 176.8 | -174.5 | -97.8 | 0 | 0 | 0 | 112.2 | L4 V5 I6 L11 L12 | L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 2.85Å; V5-F8 PolarHBondContact O-N 2.74Å; I6-F8 VanDerWaalsContact C-N 3.31Å; I6-F8 PolarHBondContact O-N 2.7Å; F8-L11 PolarHBondContact O-N 3.23Å; F8-L12 HydrophobicContact CE1-CD2 4.47Å; F8-L12 VanDerWaalsContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CB 3.4Å; F8-L12 PolarHBondContact O-N 3.02Å |
| 9 | S | 92.7 | Very high | 89.3 | Confident | 61 Ų | 61 | 97.1 Ų | 97.1 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | V5 I6 L12 A13 | V5-S9 WeakPolarHBondContact O-CB 3.43Å; V5-S9 PolarHBondContact O-N 3.18Å; V5-S9 PolarHBondContact O-OG 3.35Å; I6-S9 PolarHBondContact O-N 3.2Å; I6-S9 PolarHBondContact O-OG 2.82Å; S9-L12 PolarHBondContact O-N 3.02Å; S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 2.87Å |
| 10 | V | 94.7 | Very high | 88.7 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I6 A13 A14 | I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.47Å; I6-V10 VanDerWaalsContact O-CG2 3.3Å; I6-V10 WeakPolarHBondContact O-CG2 3.2Å; I6-V10 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 2.93Å; V10-A14 WeakPolarHBondContact O-CB 3.49Å; V10-A14 PolarHBondContact O-N 3.26Å |
| 11 | L | 94.6 | Very high | 88.1 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 176.3 | -173.5 | 71.2 | 0 | 0 | 0 | 111 | C7 F8 A14 I15 | C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.28Å; C7-L11 PolarHBondContact O-N 2.93Å; F8-L11 PolarHBondContact O-N 3.23Å; L11-A14 PolarHBondContact O-N 3.41Å; L11-I15 HydrophobicContact CG-CD1 3.99Å; L11-I15 WeakPolarHBondContact O-CB 3.45Å; L11-I15 VanDerWaalsContact O-CG1 3.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.38Å; L11-I15 PolarHBondContact O-N 3Å |
| 12 | L | 93.5 | Very high | 88.3 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.1 | -177 | 64 | 0 | 0 | 0 | 111.5 | F8 S9 I15 L16 | F8-L12 HydrophobicContact CE1-CD2 4.47Å; F8-L12 VanDerWaalsContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CB 3.4Å; F8-L12 PolarHBondContact O-N 3.02Å; S9-L12 PolarHBondContact O-N 3.02Å; L12-I15 PolarHBondContact O-N 3.35Å; L12-L16 HydrophobicContact CD1-CD1 4.49Å; L12-L16 HydrophobicContact CD1-CG 4.47Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 2.95Å |
| 13 | A | 92.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S9 V10 L16 L17 | S9-A13 WeakPolarHBondContact O-CB 3.44Å; S9-A13 PolarHBondContact O-N 2.87Å; V10-A13 PolarHBondContact O-N 2.93Å; A13-L16 PolarHBondContact O-N 3.49Å; A13-L17 VanDerWaalsContact O-CB 3.24Å; A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 PolarHBondContact O-N 3.36Å |
| 14 | A | 93 | Very high | 86.1 | Confident | 57 Ų | 57 | 90.7 Ų | 90.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V10 L11 L17 A18 | V10-A14 WeakPolarHBondContact O-CB 3.49Å; V10-A14 PolarHBondContact O-N 3.26Å; L11-A14 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 3Å; A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 3.18Å |
| 15 | I | 89.7 | Confident | 84.3 | Confident | 83 Ų | 83 | 94 Ų | 94 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 174.1 | -70.1 | 165.8 | 0 | 0 | 0 | 110.3 | L11 L12 L17 A18 L19 | L11-I15 HydrophobicContact CG-CD1 3.99Å; L11-I15 WeakPolarHBondContact O-CB 3.45Å; L11-I15 VanDerWaalsContact O-CG1 3.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.38Å; L11-I15 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 3.35Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.44Å; I15-A18 PolarHBondContact O-N 3.3Å; I15-L19 HydrophobicContact CG2-CD1 3.85Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.39Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.98Å |
| 16 | L | 87.2 | Confident | 82.6 | Confident | 101 Ų | 101 | 95.9 Ų | 95.9 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 179.1 | -72.2 | 173.7 | 0 | 0 | 0 | 111.7 | L12 A13 L19 F20 | L12-L16 HydrophobicContact CD1-CD1 4.49Å; L12-L16 HydrophobicContact CD1-CG 4.47Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 2.95Å; A13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.48Å; L16-F20 VanDerWaalsContact O-CB 3.26Å; L16-F20 WeakPolarHBondContact O-CB 3.37Å; L16-F20 PolarHBondContact O-N 2.9Å |
| 17 | L | 87 | Confident | 80.8 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 179.5 | -162.4 | 144.3 | 0 | 0 | 0 | 111.9 | A13 A14 I15 F20 R21 | A13-L17 VanDerWaalsContact O-CB 3.24Å; A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 3Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.44Å; L17-F20 PolarHBondContact O-N 3.24Å; L17-R21 HydrophobicContact CD2-CG 4.22Å; L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 3.16Å |
| 18 | A | 85.3 | Confident | 78.6 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A14 I15 R21 K22 | A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 3.18Å; I15-A18 PolarHBondContact O-N 3.3Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-K22 VanDerWaalsContact O-CB 3.32Å; A18-K22 WeakPolarHBondContact O-CB 3.38Å; A18-K22 PolarHBondContact O-N 3.44Å |
| 19 | L | 79.8 | Confident | 76.7 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 28% | 0.283 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.2 | -71.2 | 174.4 | 0 | 0 | 0 | 111.4 | I15 L16 K22 F23 L40 | I15-L19 HydrophobicContact CG2-CD1 3.85Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.39Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.48Å; L19-K22 PolarHBondContact O-N 3.42Å; L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 PolarHBondContact O-N 2.87Å; L19-L40 HydrophobicContact CD1-CD1 3.89Å; L19-L40 HydrophobicContact CD1-CD2 4.34Å; L19-L40 HydrophobicContact CD1-CG 4.35Å; L19-L40 HydrophobicContact CD2-CD2 4.02Å |
| 20 | F | 77.4 | Confident | 75.1 | Confident | 125 Ų | 125 | 100.5 Ų | 100.5 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.2 | -169.2 | -93.9 | 0 | 0 | 0 | 112.1 | L16 L17 F23 S24 | L16-F20 VanDerWaalsContact O-CB 3.26Å; L16-F20 WeakPolarHBondContact O-CB 3.37Å; L16-F20 PolarHBondContact O-N 2.9Å; L17-F20 PolarHBondContact O-N 3.24Å; F20-F23 PolarHBondContact O-N 3.23Å; F20-S24 WeakPolarHBondContact CE1-OG 3.29Å; F20-S24 VanDerWaalsContact O-CB 3.28Å; F20-S24 WeakPolarHBondContact O-CB 3.16Å; F20-S24 PolarHBondContact O-N 3.32Å; F20-S24 PolarHBondContact O-OG 3.14Å |
| 21 | R | 76.6 | Confident | 74.1 | Confident | 169 Ų | 169 | 103.9 Ų | 103.9 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 175.3 | -82.4 | -172.9 | 153.3 | 143.3 | -4 | 112 | L17 A18 F23 S24 Y25 | L17-R21 HydrophobicContact CD2-CG 4.22Å; L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 3.16Å; A18-R21 PolarHBondContact O-N 3.41Å; R21-F23 PolarHBondContact O-N 3.24Å; R21-S24 PolarHBondContact O-N 3.35Å; R21-Y25 WeakPolarHBondContact O-CB 3.31Å; R21-Y25 PolarHBondContact O-N 2.91Å |
| 22 | K | 72.3 | Confident | 73.6 | Confident | 148 Ų | 148 | 100.9 Ų | 100.9 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.5 | -37.2 | 177.7 | -172.7 | 176.4 | -178.4 | 176.8 | 0 | 111.6 | A18 L19 | A18-K22 VanDerWaalsContact O-CB 3.32Å; A18-K22 WeakPolarHBondContact O-CB 3.38Å; A18-K22 PolarHBondContact O-N 3.44Å; L19-K22 PolarHBondContact O-N 3.42Å |
| 23 | F | 66.5 | Low | 73.5 | Confident | 24 Ų | 24 | 99.8 Ų | 99.8 | 11% | 0.105 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -76.8 | -38.5 | 178.1 | -157.9 | -101.2 | 0 | 0 | 0 | 112.8 | L19 F20 R21 K26 H27 P39 Y69 | L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 PolarHBondContact O-N 2.87Å; F20-F23 PolarHBondContact O-N 3.23Å; R21-F23 PolarHBondContact O-N 3.24Å; F23-K26 PolarHBondContact O-N 3.18Å; F23-H27 AromaticContact CD1-CE1 3.92Å; F23-H27 AromaticContact CE1-CE1 3.78Å; F23-H27 PolarHBondContact O-ND1 2.78Å; F23-P39 HydrophobicContact CB-CB 3.84Å; F23-P39 HydrophobicContact CB-CG 4.32Å; F23-P39 HydrophobicContact CD1-CB 3.88Å; F23-P39 HydrophobicContact CD1-CG 4.02Å; F23-P39 HydrophobicContact CD2-CB 3.82Å; F23-P39 WeakPolarHBondContact CD2-O 3.5Å; F23-P39 HydrophobicContact CE1-CB 4.37Å; F23-P39 HydrophobicContact CE2-CB 4.33Å; F23-P39 WeakPolarHBondContact CE2-O 3.41Å; F23-P39 HydrophobicContact CG-CB 3.57Å; F23-P39 HydrophobicContact CG-CG 4.14Å; F23-Y69 HydrophobicContact CE1-CD2 4.47Å; F23-Y69 HydrophobicContact CE1-CE2 4.45Å; F23-Y69 AromaticContact CE2-CD1 3.64Å; F23-Y69 HydrophobicContact CE2-CD1 3.64Å; F23-Y69 AromaticContact CE2-CE1 3.92Å; F23-Y69 HydrophobicContact CE2-CE1 3.92Å; F23-Y69 HydrophobicContact CE2-CG 4.12Å; F23-Y69 AromaticContact CZ-CD1 3.46Å; F23-Y69 HydrophobicContact CZ-CD1 3.46Å; F23-Y69 VanDerWaalsContact CZ-CD1 3.46Å; F23-Y69 AromaticContact CZ-CD2 3.87Å; F23-Y69 HydrophobicContact CZ-CD2 3.87Å; F23-Y69 AromaticContact CZ-CE1 3.74Å; F23-Y69 HydrophobicContact CZ-CE1 3.74Å; F23-Y69 HydrophobicContact CZ-CE2 4.13Å; F23-Y69 AromaticContact CZ-CG 3.52Å; F23-Y69 HydrophobicContact CZ-CG 3.52Å |
| 24 | S | 63.2 | Low | 73.3 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | F20 R21 K26 H27 | F20-S24 WeakPolarHBondContact CE1-OG 3.29Å; F20-S24 VanDerWaalsContact O-CB 3.28Å; F20-S24 WeakPolarHBondContact O-CB 3.16Å; F20-S24 PolarHBondContact O-N 3.32Å; F20-S24 PolarHBondContact O-OG 3.14Å; R21-S24 PolarHBondContact O-N 3.35Å; S24-K26 VanDerWaalsContact C-N 3.26Å; S24-K26 PolarHBondContact O-N 3.14Å; S24-H27 WeakPolarHBondContact O-CB 3.45Å; S24-H27 PolarHBondContact O-N 3.09Å; S24-H27 VanDerWaalsContact O-N 3.15Å |
| 25 | Y | 53 | Low | 73.1 | Confident | 210 Ų | 210 | 96.2 Ų | 96.2 | 82% | 0.824 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -27 | 177.7 | -113.9 | -92.1 | 0 | 0 | 0 | 113.3 | R21 H27 | R21-Y25 WeakPolarHBondContact O-CB 3.31Å; R21-Y25 PolarHBondContact O-N 2.91Å; Y25-H27 PolarHBondContact O-N 3.31Å |
| 26 | K | 56.4 | Low | 72.8 | Confident | 131 Ų | 131 | 101.6 Ų | 101.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.7 | 176 | -79.1 | -170.5 | 175.3 | -170.1 | 0 | 114.2 | F23 S24 G28 | F23-K26 PolarHBondContact O-N 3.18Å; S24-K26 VanDerWaalsContact C-N 3.26Å; S24-K26 PolarHBondContact O-N 3.14Å; K26-G28 PolarHBondContact O-N 3.28Å |
| 27 | H | 55.2 | Low | 72.4 | Confident | 64 Ų | 64 | 97.3 Ų | 97.3 | 30% | 0.296 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 13 | 176.9 | -77.5 | 75.4 | 0 | 0 | 0 | 114.2 | F23 S24 Y25 Y69 | F23-H27 AromaticContact CD1-CE1 3.92Å; F23-H27 AromaticContact CE1-CE1 3.78Å; F23-H27 PolarHBondContact O-ND1 2.78Å; S24-H27 WeakPolarHBondContact O-CB 3.45Å; S24-H27 PolarHBondContact O-N 3.09Å; S24-H27 VanDerWaalsContact O-N 3.15Å; Y25-H27 PolarHBondContact O-N 3.31Å; H27-Y69 AromaticContact CE1-CZ 3.9Å; H27-Y69 PolarHBondContact CE1-OH 2.95Å; H27-Y69 AromaticContact NE2-CE2 3.87Å; H27-Y69 PolarHBondContact NE2-OH 3.3Å |
| 28 | G | 47.6 | Very low | 72 | Confident | 58 Ų | 58 | 97.2 Ų | 97.2 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | trans | -95.2 | 91.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K26 | K26-G28 PolarHBondContact O-N 3.28Š| ||
| 29 | T | 53 | Low | 71.2 | Confident | 137 Ų | 137 | 96 Ų | 96 | 84% | 0.84 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 166.4 | 115.5 | 141.4 | 42.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 30 | K | 59.8 | Low | 70.8 | Confident | 206 Ų | 206 | 98.3 Ų | 98.3 | 90% | 0.896 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 30.8 | 91.9 | -179.1 | -69.1 | -174.4 | -180 | -178.4 | 0 | 114.8 | L32 | K30-L32 PolarHBondContact O-N 3.35Š|
| 31 | K | 71.9 | Confident | 70.9 | Confident | 163 Ų | 163 | 96 Ų | 96 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | trans | -60.2 | 109.7 | -178 | -67.1 | -178.4 | -179.4 | 178.8 | 0 | 110.8 | ||||
| 32 | L | 86.2 | Confident | 71.1 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.225 | 45% | 0.446 | C | S | . | . | trans | -63.4 | 147.3 | 159.8 | -70.3 | 177.5 | 0 | 0 | 0 | 108.7 | K30 L65 Q67 I76 | K30-L32 PolarHBondContact O-N 3.35Å; L32-L65 HydrophobicContact CD1-CD1 4.37Å; L32-L65 HydrophobicContact CD1-CD2 4.49Å; L32-L65 HydrophobicContact CD1-CG 4.11Å; L32-L65 HydrophobicContact CD2-CD2 3.61Å; L32-L65 HydrophobicContact CD2-CG 3.72Å; L32-Q67 HydrophobicContact CB-CB 4.1Å; L32-Q67 HydrophobicContact CB-CG 4.07Å; L32-I76 HydrophobicContact CD1-CB 4.49Å; L32-I76 HydrophobicContact CD1-CD1 4.14Å; L32-I76 HydrophobicContact CD1-CG1 4.05Å; L32-I76 HydrophobicContact CD1-CG2 3.75Å | ||
| 33 | P | 91 | Very high | 71.5 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | trans | -58.4 | 153.7 | 170.9 | 28.6 | -34.9 | 0 | 0 | 0 | 109 | Y62 L65 F66 Q67 | P33-Y62 HydrophobicContact CB-CD1 4.15Å; P33-Y62 WeakPolarHBondContact CG-O 3.3Å; P33-L65 WeakPolarHBondContact CD-O 3.32Å; P33-L65 VanDerWaalsContact CG-O 3.3Å; P33-L65 WeakPolarHBondContact CG-O 3.31Å; P33-F66 HydrophobicContact CG-CB 4.17Å; P33-F66 CarbonylContact O-C 3.53Å; P33-F66 WeakPolarHBondContact O-CA 3.42Å; P33-F66 WeakPolarHBondContact O-CB 3.35Å; P33-Q67 PolarHBondContact O-N 2.92Å | ||
| 34 | G | 88.5 | Confident | 72 | Confident | 27 Ų | 27 | 85.4 Ų | 85.4 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | trans | 178.2 | 152.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y62 Q67 | G34-Y62 VanDerWaalsContact C-CE1 3.4Å; G34-Y62 WeakPolarHBondContact O-CE1 3.32Å; G34-Q67 VanDerWaalsContact CA-O 3.28Å; G34-Q67 WeakPolarHBondContact CA-O 3.15Å | ||
| 35 | P | 87.6 | Confident | 72.8 | Confident | 11 Ų | 11 | 84 Ų | 84 | 7% | 0.071 | 43% | 0.425 | C | S | . | . | trans | -73.7 | 150.5 | -178.2 | 37.4 | -42 | 0 | 0 | 0 | 111 | Y43 L58 Y62 Q67 I68 | P35-Y43 VanDerWaalsContact C-OH 3.28Å; P35-Y43 HydrophobicContact CB-CE1 4.06Å; P35-Y43 HydrophobicContact CB-CE2 3.72Å; P35-Y43 WeakPolarHBondContact CB-OH 3.36Å; P35-Y43 HydrophobicContact CG-CD1 4.49Å; P35-Y43 HydrophobicContact CG-CD2 3.93Å; P35-Y43 HydrophobicContact CG-CE1 3.99Å; P35-Y43 HydrophobicContact CG-CE2 3.33Å; P35-Y43 HydrophobicContact CG-CG 4.48Å; P35-Y43 VanDerWaalsContact CG-CZ 3.41Å; P35-Y43 WeakPolarHBondContact O-CE2 3.41Å; P35-L58 HydrophobicContact CB-CD2 4.1Å; P35-L58 HydrophobicContact CG-CD1 4.28Å; P35-L58 HydrophobicContact CG-CD2 3.96Å; P35-Y62 VanDerWaalsContact CA-CZ 3.45Å; P35-Y62 VanDerWaalsContact CA-OH 3.25Å; P35-Y62 WeakPolarHBondContact CA-OH 3.49Å; P35-Y62 HydrophobicContact CB-CD2 4.42Å; P35-Y62 HydrophobicContact CB-CE1 4.41Å; P35-Y62 HydrophobicContact CB-CE2 3.51Å; P35-Y62 VanDerWaalsContact CB-CZ 3.49Å; P35-Y62 VanDerWaalsContact CB-OH 3.29Å; P35-Y62 WeakPolarHBondContact CB-OH 3.33Å; P35-Y62 HydrophobicContact CG-CE2 4.08Å; P35-Q67 WeakPolarHBondContact CD-O 3.41Å; P35-I68 HydrophobicContact CG-CG2 3.94Å | ||
| 36 | W | 82.8 | Confident | 73.6 | Confident | 195 Ų | 195 | 74.9 Ų | 74.9 | 74% | 0.739 | 39% | 0.39 | S | S | * | . | trans | -76.4 | 123.5 | -179.6 | 180 | 92.3 | 0 | 0 | 0 | 111.8 | L38 Y43 | W36-L38 HydrophobicContact CH2-CD2 3.76Å; W36-L38 HydrophobicContact CH2-CG 4.48Å; W36-L38 HydrophobicContact CZ3-CD2 4.21Å; W36-Y43 PolarHBondContact N-OH 2.83Å; W36-Y43 PolarHBondContact O-OH 3.39Å | ||
| 37 | C | 79.7 | Confident | 74.3 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 8% | 0.081 | 38% | 0.377 | C | S | . | . | trans | -123.9 | 160.9 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | Y43 | C37-Y43 HydrophobicContact CB-CD2 3.61Å; C37-Y43 HydrophobicContact CB-CE2 3.38Å | ||
| 38 | L | 78.6 | Confident | 75.5 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 134 | 166.6 | -65.5 | 173.9 | 0 | 0 | 0 | 111 | W36 L40 I41 G42 | W36-L38 HydrophobicContact CH2-CD2 3.76Å; W36-L38 HydrophobicContact CH2-CG 4.48Å; W36-L38 HydrophobicContact CZ3-CD2 4.21Å; L38-L40 VanDerWaalsContact C-N 3.28Å; L38-L40 PolarHBondContact O-N 2.99Å; L38-L40 VanDerWaalsContact O-N 3.11Å; L38-I41 HydrophobicContact CD1-CD1 4.21Å; L38-I41 PolarHBondContact O-N 3.5Å; L38-G42 PolarHBondContact O-N 3.29Å |
| 39 | P | 67.6 | Low | 77 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 20% | 0.201 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35.8 | -174.8 | -32.2 | 36.5 | 0 | 0 | 0 | 116.4 | F23 | F23-P39 HydrophobicContact CB-CB 3.84Å; F23-P39 HydrophobicContact CB-CG 4.32Å; F23-P39 HydrophobicContact CD1-CB 3.88Å; F23-P39 HydrophobicContact CD1-CG 4.02Å; F23-P39 HydrophobicContact CD2-CB 3.82Å; F23-P39 WeakPolarHBondContact CD2-O 3.5Å; F23-P39 HydrophobicContact CE1-CB 4.37Å; F23-P39 HydrophobicContact CE2-CB 4.33Å; F23-P39 WeakPolarHBondContact CE2-O 3.41Å; F23-P39 HydrophobicContact CG-CB 3.57Å; F23-P39 HydrophobicContact CG-CG 4.14Å |
| 40 | L | 72.3 | Confident | 78.5 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -37.4 | -174.2 | -70.1 | 177.7 | 0 | 0 | 0 | 113.3 | L19 L38 G71 G72 | L19-L40 HydrophobicContact CD1-CD1 3.89Å; L19-L40 HydrophobicContact CD1-CD2 4.34Å; L19-L40 HydrophobicContact CD1-CG 4.35Å; L19-L40 HydrophobicContact CD2-CD2 4.02Å; L38-L40 VanDerWaalsContact C-N 3.28Å; L38-L40 PolarHBondContact O-N 2.99Å; L38-L40 VanDerWaalsContact O-N 3.11Å; L40-G71 CarbonylContact O-C 3.42Å; L40-G71 WeakPolarHBondContact O-CA 3.27Å; L40-G72 PolarHBondContact O-N 3.39Å |
| 41 | I | 79.1 | Confident | 79.8 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -41.8 | -173.2 | -57.2 | 176.6 | 0 | 0 | 0 | 109.9 | L38 P44 G71 F220 | L38-I41 HydrophobicContact CD1-CD1 4.21Å; L38-I41 PolarHBondContact O-N 3.5Å; I41-P44 HydrophobicContact CG2-CB 4.09Å; I41-P44 HydrophobicContact CG2-CG 3.76Å; I41-G71 PolarHBondContact O-N 2.86Å; I41-F220 HydrophobicContact CB-CE1 4.5Å; I41-F220 HydrophobicContact CG2-CE1 4.22Å; I41-F220 HydrophobicContact CG2-CZ 4.1Å; I41-F220 WeakPolarHBondContact O-CZ 3.49Å |
| 42 | G | 81.8 | Confident | 80.7 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | 71 | -138.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L38 P44 Y69 | L38-G42 PolarHBondContact O-N 3.29Å; G42-P44 VanDerWaalsContact O-CD 3.31Å; G42-P44 WeakPolarHBondContact O-CD 3.4Å; G42-Y69 CarbonylContact C-O 3.48Å; G42-Y69 WeakPolarHBondContact CA-O 3.49Å |
| 43 | Y | 80.8 | Confident | 81.1 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -107.7 | 86.6 | 176.4 | -83.6 | -83.3 | 0 | 0 | 0 | 110.4 | P35 W36 C37 F45 I68 Y69 | P35-Y43 VanDerWaalsContact C-OH 3.28Å; P35-Y43 HydrophobicContact CB-CE1 4.06Å; P35-Y43 HydrophobicContact CB-CE2 3.72Å; P35-Y43 WeakPolarHBondContact CB-OH 3.36Å; P35-Y43 HydrophobicContact CG-CD1 4.49Å; P35-Y43 HydrophobicContact CG-CD2 3.93Å; P35-Y43 HydrophobicContact CG-CE1 3.99Å; P35-Y43 HydrophobicContact CG-CE2 3.33Å; P35-Y43 HydrophobicContact CG-CG 4.48Å; P35-Y43 VanDerWaalsContact CG-CZ 3.41Å; P35-Y43 WeakPolarHBondContact O-CE2 3.41Å; W36-Y43 PolarHBondContact N-OH 2.83Å; W36-Y43 PolarHBondContact O-OH 3.39Å; C37-Y43 HydrophobicContact CB-CD2 3.61Å; C37-Y43 HydrophobicContact CB-CE2 3.38Å; Y43-F45 AromaticContact CD1-CD1 3.88Å; Y43-F45 HydrophobicContact CD1-CD1 3.88Å; Y43-F45 AromaticContact CD1-CE1 3.69Å; Y43-F45 HydrophobicContact CD1-CE1 3.69Å; Y43-F45 HydrophobicContact CG-CD1 4.37Å; Y43-F45 HydrophobicContact CG-CE1 4.01Å; Y43-F45 PolarHBondContact O-N 3.01Å; Y43-F45 VanDerWaalsContact O-N 3.12Å; Y43-I68 HydrophobicContact CD2-CB 4.39Å; Y43-I68 HydrophobicContact CD2-CG2 4.49Å; Y43-Y69 PolarHBondContact N-O 3.41Å | ||
| 44 | P | 75.5 | Confident | 81.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -75.9 | -0.2 | -172 | 32.8 | -36.3 | 0 | 0 | 0 | 113.2 | I41 G42 L46 F47 | I41-P44 HydrophobicContact CG2-CB 4.09Å; I41-P44 HydrophobicContact CG2-CG 3.76Å; G42-P44 VanDerWaalsContact O-CD 3.31Å; G42-P44 WeakPolarHBondContact O-CD 3.4Å; P44-L46 PolarHBondContact O-N 2.95Å; P44-F47 HydrophobicContact CB-CD2 4.02Å; P44-F47 HydrophobicContact CB-CE2 3.96Å; P44-F47 WeakPolarHBondContact O-CD2 3.47Å; P44-F47 PolarHBondContact O-N 3.42Å |
| 45 | F | 79.5 | Confident | 81.3 | Confident | 27 Ų | 27 | 67 Ų | 67 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -63.5 | -16.4 | -179.7 | 73.9 | -101.2 | 0 | 0 | 0 | 113.3 | Y43 F47 T48 K54 L55 L58 | Y43-F45 AromaticContact CD1-CD1 3.88Å; Y43-F45 HydrophobicContact CD1-CD1 3.88Å; Y43-F45 AromaticContact CD1-CE1 3.69Å; Y43-F45 HydrophobicContact CD1-CE1 3.69Å; Y43-F45 HydrophobicContact CG-CD1 4.37Å; Y43-F45 HydrophobicContact CG-CE1 4.01Å; Y43-F45 PolarHBondContact O-N 3.01Å; Y43-F45 VanDerWaalsContact O-N 3.12Å; F45-F47 PolarHBondContact O-N 2.94Å; F45-F47 VanDerWaalsContact O-N 3.08Å; F45-T48 WeakPolarHBondContact O-CB 3.46Å; F45-T48 WeakPolarHBondContact O-CG2 3.45Å; F45-T48 PolarHBondContact O-N 2.88Å; F45-T48 PolarHBondContact O-OG1 3.33Å; F45-K54 HydrophobicContact CB-CD 3.55Å; F45-K54 HydrophobicContact CD2-CB 3.37Å; F45-K54 HydrophobicContact CD2-CD 3.42Å; F45-K54 VanDerWaalsContact CD2-CD 3.42Å; F45-K54 HydrophobicContact CD2-CG 4.03Å; F45-K54 HydrophobicContact CE2-CB 3.35Å; F45-K54 HydrophobicContact CE2-CD 4.29Å; F45-K54 HydrophobicContact CE2-CG 4.46Å; F45-K54 HydrophobicContact CG-CB 4.14Å; F45-K54 HydrophobicContact CG-CD 3.59Å; F45-K54 HydrophobicContact CZ-CB 4.09Å; F45-L55 HydrophobicContact CE2-CD2 4.24Å; F45-L55 HydrophobicContact CE2-CG 4.13Å; F45-L55 HydrophobicContact CZ-CD2 3.99Å; F45-L55 HydrophobicContact CZ-CG 4.37Å; F45-L58 HydrophobicContact CE1-CD1 3.69Å; F45-L58 HydrophobicContact CZ-CD1 3.51Å |
| 46 | L | 70.9 | Confident | 81.7 | Confident | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -62.2 | -13.7 | 176.4 | -71.7 | 176.7 | 0 | 0 | 0 | 113.8 | P44 T48 C51 L55 I68 I70 F215 | P44-L46 PolarHBondContact O-N 2.95Å; L46-T48 VanDerWaalsContact C-N 3.31Å; L46-C51 HydrophobicContact CD2-CB 3.91Å; L46-L55 HydrophobicContact CD2-CD1 3.69Å; L46-L55 HydrophobicContact CD2-CD2 3.99Å; L46-L55 HydrophobicContact CD2-CG 3.78Å; L46-I68 HydrophobicContact CD1-CD1 3.5Å; L46-I68 HydrophobicContact CG-CD1 4.37Å; L46-I70 HydrophobicContact CB-CD1 4.49Å; L46-I70 HydrophobicContact CD1-CD1 3.1Å; L46-I70 HydrophobicContact CD1-CG1 3.73Å; L46-I70 HydrophobicContact CG-CD1 4.37Å; L46-F215 HydrophobicContact CB-CE1 3.87Å; L46-F215 HydrophobicContact CB-CZ 4.4Å |
| 47 | F | 72 | Confident | 82.2 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -84.2 | -4.9 | 172.8 | -50.3 | -58.8 | 0 | 0 | 0 | 113.7 | P44 F45 I70 F215 V216 Y219 F220 | P44-F47 HydrophobicContact CB-CD2 4.02Å; P44-F47 HydrophobicContact CB-CE2 3.96Å; P44-F47 WeakPolarHBondContact O-CD2 3.47Å; P44-F47 PolarHBondContact O-N 3.42Å; F45-F47 PolarHBondContact O-N 2.94Å; F45-F47 VanDerWaalsContact O-N 3.08Å; F47-I70 HydrophobicContact CE2-CG2 4.02Å; F47-I70 HydrophobicContact CZ-CG2 3.56Å; F47-F215 AromaticContact CD1-CD1 3.54Å; F47-F215 HydrophobicContact CD1-CD1 3.54Å; F47-F215 HydrophobicContact CD1-CE1 4.04Å; F47-F215 AromaticContact CE1-CD1 3.32Å; F47-F215 HydrophobicContact CE1-CD1 3.32Å; F47-F215 AromaticContact CE1-CE1 3.69Å; F47-F215 HydrophobicContact CE1-CE1 3.69Å; F47-F215 HydrophobicContact CE1-CG 4.35Å; F47-F215 HydrophobicContact CZ-CD1 4.46Å; F47-V216 HydrophobicContact CB-CG2 4.18Å; F47-V216 HydrophobicContact CD1-CB 4.13Å; F47-V216 HydrophobicContact CD1-CG2 3.28Å; F47-V216 VanDerWaalsContact CE1-CA 3.46Å; F47-V216 HydrophobicContact CE1-CB 4.13Å; F47-V216 HydrophobicContact CE1-CG2 3.8Å; F47-V216 HydrophobicContact CG-CG2 3.76Å; F47-Y219 HydrophobicContact CE1-CD2 4.07Å; F47-Y219 HydrophobicContact CZ-CD2 4.02Å; F47-Y219 HydrophobicContact CZ-CG 4.49Å; F47-F220 AromaticContact CE2-CD2 3.98Å; F47-F220 HydrophobicContact CE2-CD2 3.98Å; F47-F220 AromaticContact CE2-CE2 3.35Å; F47-F220 HydrophobicContact CE2-CE2 3.35Å; F47-F220 HydrophobicContact CE2-CZ 4.24Å; F47-F220 AromaticContact CZ-CD2 3.86Å; F47-F220 HydrophobicContact CZ-CD2 3.86Å; F47-F220 AromaticContact CZ-CE2 3.51Å; F47-F220 HydrophobicContact CZ-CE2 3.51Å |
| 48 | T | 78.5 | Confident | 82.8 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -82.8 | 152.9 | 175.3 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | F45 L46 S50 C51 | F45-T48 WeakPolarHBondContact O-CB 3.46Å; F45-T48 WeakPolarHBondContact O-CG2 3.45Å; F45-T48 PolarHBondContact O-N 2.88Å; F45-T48 PolarHBondContact O-OG1 3.33Å; L46-T48 VanDerWaalsContact C-N 3.31Å; T48-S50 PolarHBondContact O-N 3.18Å; T48-C51 WeakPolarHBondContact O-CB 3.33Å; T48-C51 PolarHBondContact O-N 2.91Å |
| 49 | K | 79.2 | Confident | 83.6 | Confident | 192 Ų | 192 | 61.1 Ų | 61.1 | 84% | 0.835 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.8 | 174.6 | -65.7 | -175.1 | 179.7 | -178.5 | 0 | 112.9 | ||
| 50 | S | 85.6 | Confident | 85 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 44% | 0.441 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 28.8 | -179.1 | -42.7 | 0 | 0 | 0 | 0 | 113.1 | T48 H52 V53 K54 | T48-S50 PolarHBondContact O-N 3.18Å; S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 2.91Å; S50-V53 PolarHBondContact O-N 2.98Å; S50-V53 VanDerWaalsContact O-N 3.15Å; S50-K54 PolarHBondContact O-N 3.41Å |
| 51 | C | 87.9 | Confident | 86 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.8 | -41.7 | -177.7 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | L46 T48 V53 K54 L55 | L46-C51 HydrophobicContact CD2-CB 3.91Å; T48-C51 WeakPolarHBondContact O-CB 3.33Å; T48-C51 PolarHBondContact O-N 2.91Å; C51-V53 PolarHBondContact O-N 3.12Å; C51-K54 PolarHBondContact O-N 3.18Å; C51-L55 WeakPolarHBondContact O-CG 3.46Å; C51-L55 PolarHBondContact O-N 3.29Å |
| 52 | H | 90.6 | Very high | 86.7 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.3 | -36.1 | 178.9 | 58.8 | -82.7 | 0 | 0 | 0 | 112.4 | S50 L55 G56 | S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 2.91Å; H52-L55 PolarHBondContact O-N 3.27Å; H52-G56 PolarHBondContact O-N 2.87Å |
| 53 | V | 93.3 | Very high | 87.3 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 176 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | S50 C51 L55 G56 E57 | S50-V53 PolarHBondContact O-N 2.98Å; S50-V53 VanDerWaalsContact O-N 3.15Å; C51-V53 PolarHBondContact O-N 3.12Å; V53-L55 VanDerWaalsContact C-N 3.3Å; V53-L55 PolarHBondContact O-N 3.37Å; V53-G56 WeakPolarHBondContact O-CA 3.5Å; V53-G56 PolarHBondContact O-N 3.48Å; V53-E57 PolarHBondContact O-N 3.17Å |
| 54 | K | 91.5 | Very high | 87.9 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 178.1 | -69.8 | -178.9 | 176.3 | -179.2 | 0 | 113 | F45 S50 C51 G56 E57 L58 | F45-K54 HydrophobicContact CB-CD 3.55Å; F45-K54 HydrophobicContact CD2-CB 3.37Å; F45-K54 HydrophobicContact CD2-CD 3.42Å; F45-K54 VanDerWaalsContact CD2-CD 3.42Å; F45-K54 HydrophobicContact CD2-CG 4.03Å; F45-K54 HydrophobicContact CE2-CB 3.35Å; F45-K54 HydrophobicContact CE2-CD 4.29Å; F45-K54 HydrophobicContact CE2-CG 4.46Å; F45-K54 HydrophobicContact CG-CB 4.14Å; F45-K54 HydrophobicContact CG-CD 3.59Å; F45-K54 HydrophobicContact CZ-CB 4.09Å; S50-K54 PolarHBondContact O-N 3.41Å; C51-K54 PolarHBondContact O-N 3.18Å; K54-G56 VanDerWaalsContact C-N 3.31Å; K54-E57 PolarHBondContact O-N 3.27Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 2.9Å; K54-L58 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 93.3 | Very high | 88.7 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 170.3 | -75.2 | 175.9 | 0 | 0 | 0 | 111.7 | F45 L46 C51 H52 V53 L58 A59 F66 I68 V77 | F45-L55 HydrophobicContact CE2-CD2 4.24Å; F45-L55 HydrophobicContact CE2-CG 4.13Å; F45-L55 HydrophobicContact CZ-CD2 3.99Å; F45-L55 HydrophobicContact CZ-CG 4.37Å; L46-L55 HydrophobicContact CD2-CD1 3.69Å; L46-L55 HydrophobicContact CD2-CD2 3.99Å; L46-L55 HydrophobicContact CD2-CG 3.78Å; C51-L55 WeakPolarHBondContact O-CG 3.46Å; C51-L55 PolarHBondContact O-N 3.29Å; H52-L55 PolarHBondContact O-N 3.27Å; V53-L55 VanDerWaalsContact C-N 3.3Å; V53-L55 PolarHBondContact O-N 3.37Å; L55-L58 PolarHBondContact O-N 2.96Å; L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 2.92Å; L55-F66 HydrophobicContact CD2-CE2 4.37Å; L55-F66 HydrophobicContact CD2-CZ 4.1Å; L55-I68 HydrophobicContact CD2-CD1 3.86Å; L55-V77 HydrophobicContact CD2-CG1 4.08Å; L55-V77 HydrophobicContact CD2-CG2 3.8Å |
| 56 | G | 94.3 | Very high | 89.4 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H52 V53 K54 L58 A59 D60 | H52-G56 PolarHBondContact O-N 2.87Å; V53-G56 WeakPolarHBondContact O-CA 3.5Å; V53-G56 PolarHBondContact O-N 3.48Å; K54-G56 VanDerWaalsContact C-N 3.31Å; G56-L58 PolarHBondContact O-N 3.5Å; G56-A59 WeakPolarHBondContact O-CA 3.16Å; G56-A59 VanDerWaalsContact O-CB 3.27Å; G56-A59 WeakPolarHBondContact O-CB 3.43Å; G56-A59 PolarHBondContact O-N 3.36Å; G56-D60 PolarHBondContact O-N 3.29Å |
| 57 | E | 93.7 | Very high | 90.4 | Very high | 118 Ų | 118 | 72.8 Ų | 72.8 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.5 | -33.7 | 176.1 | -65.9 | 169.6 | -174.6 | 0 | 0 | 112.7 | V53 K54 | V53-E57 PolarHBondContact O-N 3.17Å; K54-E57 PolarHBondContact O-N 3.27Å |
| 58 | L | 93.2 | Very high | 91.2 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.1 | -36.5 | 173.3 | -71.3 | 175.4 | 0 | 0 | 0 | 112.1 | P35 F45 K54 L55 G56 D60 R61 Y62 F66 I68 | P35-L58 HydrophobicContact CB-CD2 4.1Å; P35-L58 HydrophobicContact CG-CD1 4.28Å; P35-L58 HydrophobicContact CG-CD2 3.96Å; F45-L58 HydrophobicContact CE1-CD1 3.69Å; F45-L58 HydrophobicContact CZ-CD1 3.51Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 2.9Å; K54-L58 VanDerWaalsContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 2.96Å; G56-L58 PolarHBondContact O-N 3.5Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.02Å; L58-R61 PolarHBondContact O-N 3.36Å; L58-R61 VanDerWaalsContact O-N 3.08Å; L58-Y62 HydrophobicContact CB-CD2 4.3Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE2 3.68Å; L58-Y62 VanDerWaalsContact O-CD2 3.28Å; L58-Y62 WeakPolarHBondContact O-CD2 3.31Å; L58-Y62 PolarHBondContact O-N 3.25Å; L58-F66 HydrophobicContact CB-CE1 4.36Å; L58-F66 HydrophobicContact CB-CE2 3.66Å; L58-F66 HydrophobicContact CB-CZ 3.54Å; L58-F66 HydrophobicContact CD1-CE2 3.96Å; L58-F66 HydrophobicContact CD1-CZ 4.41Å; L58-F66 HydrophobicContact CG-CE2 4.47Å; L58-I68 HydrophobicContact CD1-CG2 4.26Å |
| 59 | A | 95.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | L55 G56 R61 Y62 G63 F66 S79 | L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 2.92Å; G56-A59 WeakPolarHBondContact O-CA 3.16Å; G56-A59 VanDerWaalsContact O-CB 3.27Å; G56-A59 WeakPolarHBondContact O-CB 3.43Å; G56-A59 PolarHBondContact O-N 3.36Å; A59-R61 PolarHBondContact O-N 3.14Å; A59-R61 VanDerWaalsContact O-N 3.13Å; A59-Y62 PolarHBondContact O-N 2.87Å; A59-G63 CarbonylContact O-C 3.59Å; A59-G63 WeakPolarHBondContact O-CA 3.29Å; A59-G63 PolarHBondContact O-N 3.18Å; A59-F66 HydrophobicContact CB-CE1 3.99Å; A59-S79 VanDerWaalsContact CB-CB 3.46Å; A59-S79 WeakPolarHBondContact CB-OG 3.41Å |
| 60 | D | 95.6 | Very high | 91.7 | Very high | 146 Ų | 146 | 58.4 Ų | 58.4 | 78% | 0.781 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59 | -27.6 | 175.7 | -64.2 | -27 | 0 | 0 | 0 | 112.7 | G56 L58 | G56-D60 PolarHBondContact O-N 3.29Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.02Å |
| 61 | R | 94.7 | Very high | 91.5 | Very high | 192 Ų | 192 | 56.4 Ų | 56.4 | 73% | 0.725 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -95.8 | -38.2 | -177.9 | -172.7 | 175.7 | -63.7 | -170.1 | 1.9 | 114.2 | L58 A59 | L58-R61 PolarHBondContact O-N 3.36Å; L58-R61 VanDerWaalsContact O-N 3.08Å; A59-R61 PolarHBondContact O-N 3.14Å; A59-R61 VanDerWaalsContact O-N 3.13Å |
| 62 | Y | 93.9 | Very high | 91 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -108.8 | -4.6 | -172.4 | -63 | -75.6 | 0 | 0 | 0 | 113.2 | P33 G34 P35 L58 A59 | P33-Y62 HydrophobicContact CB-CD1 4.15Å; P33-Y62 WeakPolarHBondContact CG-O 3.3Å; G34-Y62 VanDerWaalsContact C-CE1 3.4Å; G34-Y62 WeakPolarHBondContact O-CE1 3.32Å; P35-Y62 VanDerWaalsContact CA-CZ 3.45Å; P35-Y62 VanDerWaalsContact CA-OH 3.25Å; P35-Y62 WeakPolarHBondContact CA-OH 3.49Å; P35-Y62 HydrophobicContact CB-CD2 4.42Å; P35-Y62 HydrophobicContact CB-CE1 4.41Å; P35-Y62 HydrophobicContact CB-CE2 3.51Å; P35-Y62 VanDerWaalsContact CB-CZ 3.49Å; P35-Y62 VanDerWaalsContact CB-OH 3.29Å; P35-Y62 WeakPolarHBondContact CB-OH 3.33Å; P35-Y62 HydrophobicContact CG-CE2 4.08Å; L58-Y62 HydrophobicContact CB-CD2 4.3Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE2 3.68Å; L58-Y62 VanDerWaalsContact O-CD2 3.28Å; L58-Y62 WeakPolarHBondContact O-CD2 3.31Å; L58-Y62 PolarHBondContact O-N 3.25Å; A59-Y62 PolarHBondContact O-N 2.87Å |
| 63 | G | 93.9 | Very high | 90.5 | Very high | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | trans | 86.1 | -173.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A59 L65 F66 | A59-G63 CarbonylContact O-C 3.59Å; A59-G63 WeakPolarHBondContact O-CA 3.29Å; A59-G63 PolarHBondContact O-N 3.18Å; G63-L65 PolarHBondContact O-N 3.43Å; G63-L65 VanDerWaalsContact O-N 3.15Å; G63-F66 WeakPolarHBondContact O-CD1 3.42Å | ||
| 64 | D | 93.5 | Very high | 90.1 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.2 | -19.4 | -172.1 | -66.5 | -7.9 | 0 | 0 | 0 | 115.5 | S79 S80 | D64-S79 PolarHBondContact O-N 2.91Å; D64-S80 WeakPolarHBondContact CB-OG 3.44Å; D64-S80 VanDerWaalsContact OD2-CB 3.26Å; D64-S80 WeakPolarHBondContact OD2-CB 3.36Å; D64-S80 PolarHBondContact OD2-OG 3Å |
| 65 | L | 93.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 108.1 | -176.1 | -178.3 | 67.6 | 0 | 0 | 0 | 109.3 | L32 P33 G63 I76 L78 | L32-L65 HydrophobicContact CD1-CD1 4.37Å; L32-L65 HydrophobicContact CD1-CD2 4.49Å; L32-L65 HydrophobicContact CD1-CG 4.11Å; L32-L65 HydrophobicContact CD2-CD2 3.61Å; L32-L65 HydrophobicContact CD2-CG 3.72Å; P33-L65 WeakPolarHBondContact CD-O 3.32Å; P33-L65 VanDerWaalsContact CG-O 3.3Å; P33-L65 WeakPolarHBondContact CG-O 3.31Å; G63-L65 PolarHBondContact O-N 3.43Å; G63-L65 VanDerWaalsContact O-N 3.15Å; L65-I76 HydrophobicContact CD1-CG2 3.64Å; L65-L78 HydrophobicContact CD1-CD2 3.23Å |
| 66 | F | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 165.5 | -177.8 | 68.4 | -86.6 | 0 | 0 | 0 | 111.7 | P33 L55 L58 A59 G63 I68 V77 S79 | P33-F66 HydrophobicContact CG-CB 4.17Å; P33-F66 CarbonylContact O-C 3.53Å; P33-F66 WeakPolarHBondContact O-CA 3.42Å; P33-F66 WeakPolarHBondContact O-CB 3.35Å; L55-F66 HydrophobicContact CD2-CE2 4.37Å; L55-F66 HydrophobicContact CD2-CZ 4.1Å; L58-F66 HydrophobicContact CB-CE1 4.36Å; L58-F66 HydrophobicContact CB-CE2 3.66Å; L58-F66 HydrophobicContact CB-CZ 3.54Å; L58-F66 HydrophobicContact CD1-CE2 3.96Å; L58-F66 HydrophobicContact CD1-CZ 4.41Å; L58-F66 HydrophobicContact CG-CE2 4.47Å; A59-F66 HydrophobicContact CB-CE1 3.99Å; G63-F66 WeakPolarHBondContact O-CD1 3.42Å; F66-I68 HydrophobicContact CD2-CG2 3.91Å; F66-I68 HydrophobicContact CE2-CG2 3.68Å; F66-V77 HydrophobicContact CD1-CB 4.06Å; F66-V77 HydrophobicContact CD1-CG1 4.35Å; F66-V77 HydrophobicContact CD2-CB 4.22Å; F66-V77 HydrophobicContact CD2-CG2 4.24Å; F66-V77 HydrophobicContact CE1-CB 3.72Å; F66-V77 HydrophobicContact CE1-CG1 3.6Å; F66-V77 HydrophobicContact CE1-CG2 4.45Å; F66-V77 HydrophobicContact CE2-CB 3.89Å; F66-V77 HydrophobicContact CE2-CG1 4.29Å; F66-V77 HydrophobicContact CE2-CG2 3.74Å; F66-V77 HydrophobicContact CG-CB 4.3Å; F66-V77 HydrophobicContact CZ-CB 3.63Å; F66-V77 HydrophobicContact CZ-CG1 3.56Å; F66-V77 HydrophobicContact CZ-CG2 3.87Å; F66-V77 PolarHBondContact N-O 3.44Å; F66-V77 PolarHBondContact O-N 3.09Å; F66-S79 WeakPolarHBondContact CE1-OG 3.48Å |
| 67 | Q | 91.4 | Very high | 89.8 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.2 | 177.7 | 63.9 | 175.5 | 35 | 0 | 0 | 111.8 | L32 P33 G34 P35 L74 V75 | L32-Q67 HydrophobicContact CB-CB 4.1Å; L32-Q67 HydrophobicContact CB-CG 4.07Å; P33-Q67 PolarHBondContact O-N 2.92Å; G34-Q67 VanDerWaalsContact CA-O 3.28Å; G34-Q67 WeakPolarHBondContact CA-O 3.15Å; P35-Q67 WeakPolarHBondContact CD-O 3.41Å; Q67-L74 HydrophobicContact CB-CD1 3.74Å; Q67-L74 HydrophobicContact CG-CD1 4.39Å; Q67-V75 WeakPolarHBondContact CA-O 3.41Å |
| 68 | I | 89.8 | Confident | 89.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 162 | 168 | 60.5 | -175.6 | 0 | 0 | 0 | 108.7 | P35 Y43 L46 L55 L58 F66 V75 V77 | P35-I68 HydrophobicContact CG-CG2 3.94Å; Y43-I68 HydrophobicContact CD2-CB 4.39Å; Y43-I68 HydrophobicContact CD2-CG2 4.49Å; L46-I68 HydrophobicContact CD1-CD1 3.5Å; L46-I68 HydrophobicContact CG-CD1 4.37Å; L55-I68 HydrophobicContact CD2-CD1 3.86Å; L58-I68 HydrophobicContact CD1-CG2 4.26Å; F66-I68 HydrophobicContact CD2-CG2 3.91Å; F66-I68 HydrophobicContact CE2-CG2 3.68Å; I68-V75 HydrophobicContact CD1-CB 4.47Å; I68-V75 HydrophobicContact CD1-CG1 4.45Å; I68-V75 HydrophobicContact CG1-CB 3.88Å; I68-V75 HydrophobicContact CG1-CG1 4.29Å; I68-V75 PolarHBondContact N-O 3.36Å; I68-V75 PolarHBondContact O-N 3.12Å; I68-V75 VanDerWaalsContact O-O 3.12Å; I68-V77 HydrophobicContact CD1-CG2 3.74Å; I68-V77 HydrophobicContact CG1-CG2 4.03Å |
| 69 | Y | 85.9 | Confident | 89.9 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.8 | 169.9 | -68.1 | -99 | 0 | 0 | 0 | 110.4 | F23 H27 G42 Y43 K73 L74 | F23-Y69 HydrophobicContact CE1-CD2 4.47Å; F23-Y69 HydrophobicContact CE1-CE2 4.45Å; F23-Y69 AromaticContact CE2-CD1 3.64Å; F23-Y69 HydrophobicContact CE2-CD1 3.64Å; F23-Y69 AromaticContact CE2-CE1 3.92Å; F23-Y69 HydrophobicContact CE2-CE1 3.92Å; F23-Y69 HydrophobicContact CE2-CG 4.12Å; F23-Y69 AromaticContact CZ-CD1 3.46Å; F23-Y69 HydrophobicContact CZ-CD1 3.46Å; F23-Y69 VanDerWaalsContact CZ-CD1 3.46Å; F23-Y69 AromaticContact CZ-CD2 3.87Å; F23-Y69 HydrophobicContact CZ-CD2 3.87Å; F23-Y69 AromaticContact CZ-CE1 3.74Å; F23-Y69 HydrophobicContact CZ-CE1 3.74Å; F23-Y69 HydrophobicContact CZ-CE2 4.13Å; F23-Y69 AromaticContact CZ-CG 3.52Å; F23-Y69 HydrophobicContact CZ-CG 3.52Å; H27-Y69 AromaticContact CE1-CZ 3.9Å; H27-Y69 PolarHBondContact CE1-OH 2.95Å; H27-Y69 AromaticContact NE2-CE2 3.87Å; H27-Y69 PolarHBondContact NE2-OH 3.3Å; G42-Y69 CarbonylContact C-O 3.48Å; G42-Y69 WeakPolarHBondContact CA-O 3.49Å; Y43-Y69 PolarHBondContact N-O 3.41Å; Y69-K73 CarbonylContact C-O 3.52Å; Y69-K73 VanDerWaalsContact CA-O 3.23Å; Y69-K73 WeakPolarHBondContact CA-O 3.46Å; Y69-L74 HydrophobicContact CD1-CB 4.32Å; Y69-L74 HydrophobicContact CD1-CD1 4.46Å; Y69-L74 HydrophobicContact CD2-CD1 4.47Å; Y69-L74 HydrophobicContact CE1-CB 4Å; Y69-L74 HydrophobicContact CE1-CD1 3.99Å; Y69-L74 HydrophobicContact CE2-CD1 4Å |
| 70 | I | 83.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 122.7 | 172.9 | -40.6 | 165.9 | 0 | 0 | 0 | 106.6 | L46 F47 G72 K73 V75 F215 Y219 F220 | L46-I70 HydrophobicContact CB-CD1 4.49Å; L46-I70 HydrophobicContact CD1-CD1 3.1Å; L46-I70 HydrophobicContact CD1-CG1 3.73Å; L46-I70 HydrophobicContact CG-CD1 4.37Å; F47-I70 HydrophobicContact CE2-CG2 4.02Å; F47-I70 HydrophobicContact CZ-CG2 3.56Å; I70-G72 PolarHBondContact O-N 3.26Å; I70-G72 VanDerWaalsContact O-N 3.07Å; I70-K73 PolarHBondContact N-O 3.36Å; I70-K73 WeakPolarHBondContact O-CB 3.5Å; I70-K73 PolarHBondContact O-N 2.92Å; I70-V75 HydrophobicContact CD1-CB 4.41Å; I70-V75 HydrophobicContact CD1-CG2 3.64Å; I70-V75 HydrophobicContact CG1-CG2 4.12Å; I70-F215 HydrophobicContact CD1-CZ 4.18Å; I70-Y219 HydrophobicContact CB-CD1 3.62Å; I70-Y219 HydrophobicContact CB-CD2 4.22Å; I70-Y219 HydrophobicContact CB-CE1 3.92Å; I70-Y219 HydrophobicContact CB-CG 3.78Å; I70-Y219 HydrophobicContact CD1-CD1 4.47Å; I70-Y219 HydrophobicContact CD1-CD2 4.33Å; I70-Y219 HydrophobicContact CD1-CE1 4.01Å; I70-Y219 HydrophobicContact CD1-CE2 3.93Å; I70-Y219 HydrophobicContact CG2-CD1 3.87Å; I70-Y219 HydrophobicContact CG2-CD2 3.69Å; I70-Y219 HydrophobicContact CG2-CE1 4.44Å; I70-Y219 HydrophobicContact CG2-CE2 4.34Å; I70-Y219 HydrophobicContact CG2-CG 3.46Å; I70-Y219 VanDerWaalsContact CG2-CG 3.46Å; I70-Y219 WeakPolarHBondContact O-CD1 3.42Å; I70-F220 HydrophobicContact CG2-CE2 4.2Å |
| 71 | G | 79.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L40 I41 K73 Y219 | L40-G71 CarbonylContact O-C 3.42Å; L40-G71 WeakPolarHBondContact O-CA 3.27Å; I41-G71 PolarHBondContact O-N 2.86Å; G71-K73 VanDerWaalsContact C-N 3.28Å; G71-K73 PolarHBondContact O-N 3.06Å; G71-Y219 WeakPolarHBondContact CA-O 3.37Å |
| 72 | G | 77 | Confident | 89.9 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 2.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.4 | L40 I70 | L40-G72 PolarHBondContact O-N 3.39Å; I70-G72 PolarHBondContact O-N 3.26Å; I70-G72 VanDerWaalsContact O-N 3.07Å |
| 73 | K | 80.7 | Confident | 89.8 | Confident | 96 Ų | 96 | 45.7 Ų | 45.7 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.2 | 174 | -65.9 | -178.6 | 174.6 | 170 | 0 | 110.5 | Y69 I70 G71 N218 Y219 | Y69-K73 CarbonylContact C-O 3.52Å; Y69-K73 VanDerWaalsContact CA-O 3.23Å; Y69-K73 WeakPolarHBondContact CA-O 3.46Å; I70-K73 PolarHBondContact N-O 3.36Å; I70-K73 WeakPolarHBondContact O-CB 3.5Å; I70-K73 PolarHBondContact O-N 2.92Å; G71-K73 VanDerWaalsContact C-N 3.28Å; G71-K73 PolarHBondContact O-N 3.06Å; K73-N218 WeakPolarHBondContact CE-O 3.44Å; K73-N218 PolarHBondContact NZ-O 3.4Å; K73-Y219 HydrophobicContact CB-CD1 3.96Å; K73-Y219 HydrophobicContact CB-CE1 3.89Å; K73-Y219 HydrophobicContact CD-CD1 3.79Å; K73-Y219 HydrophobicContact CD-CE1 3.85Å; K73-Y219 HydrophobicContact CG-CD1 4.24Å; K73-Y219 HydrophobicContact CG-CE1 4.42Å |
| 74 | L | 85.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134.2 | 174.6 | 179.6 | 67.1 | 0 | 0 | 0 | 109.8 | Q67 Y69 | Q67-L74 HydrophobicContact CB-CD1 3.74Å; Q67-L74 HydrophobicContact CG-CD1 4.39Å; Y69-L74 HydrophobicContact CD1-CB 4.32Å; Y69-L74 HydrophobicContact CD1-CD1 4.46Å; Y69-L74 HydrophobicContact CD2-CD1 4.47Å; Y69-L74 HydrophobicContact CE1-CB 4Å; Y69-L74 HydrophobicContact CE1-CD1 3.99Å; Y69-L74 HydrophobicContact CE2-CD1 4Å |
| 75 | V | 88 | Confident | 89.8 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.2 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | Q67 I68 I70 Y219 | Q67-V75 WeakPolarHBondContact CA-O 3.41Å; I68-V75 HydrophobicContact CD1-CB 4.47Å; I68-V75 HydrophobicContact CD1-CG1 4.45Å; I68-V75 HydrophobicContact CG1-CB 3.88Å; I68-V75 HydrophobicContact CG1-CG1 4.29Å; I68-V75 PolarHBondContact N-O 3.36Å; I68-V75 PolarHBondContact O-N 3.12Å; I68-V75 VanDerWaalsContact O-O 3.12Å; I70-V75 HydrophobicContact CD1-CB 4.41Å; I70-V75 HydrophobicContact CD1-CG2 3.64Å; I70-V75 HydrophobicContact CG1-CG2 4.12Å; V75-Y219 HydrophobicContact CG2-CE1 4.37Å |
| 76 | I | 91.5 | Very high | 89.8 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.7 | 173.8 | -60.2 | 176.2 | 0 | 0 | 0 | 107.5 | L32 L65 L78 | L32-I76 HydrophobicContact CD1-CB 4.49Å; L32-I76 HydrophobicContact CD1-CD1 4.14Å; L32-I76 HydrophobicContact CD1-CG1 4.05Å; L32-I76 HydrophobicContact CD1-CG2 3.75Å; L65-I76 HydrophobicContact CD1-CG2 3.64Å; I76-L78 HydrophobicContact CG2-CD2 4.17Å |
| 77 | V | 93.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.8 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | L55 F66 I68 | L55-V77 HydrophobicContact CD2-CG1 4.08Å; L55-V77 HydrophobicContact CD2-CG2 3.8Å; F66-V77 HydrophobicContact CD1-CB 4.06Å; F66-V77 HydrophobicContact CD1-CG1 4.35Å; F66-V77 HydrophobicContact CD2-CB 4.22Å; F66-V77 HydrophobicContact CD2-CG2 4.24Å; F66-V77 HydrophobicContact CE1-CB 3.72Å; F66-V77 HydrophobicContact CE1-CG1 3.6Å; F66-V77 HydrophobicContact CE1-CG2 4.45Å; F66-V77 HydrophobicContact CE2-CB 3.89Å; F66-V77 HydrophobicContact CE2-CG1 4.29Å; F66-V77 HydrophobicContact CE2-CG2 3.74Å; F66-V77 HydrophobicContact CG-CB 4.3Å; F66-V77 HydrophobicContact CZ-CB 3.63Å; F66-V77 HydrophobicContact CZ-CG1 3.56Å; F66-V77 HydrophobicContact CZ-CG2 3.87Å; F66-V77 PolarHBondContact N-O 3.44Å; F66-V77 PolarHBondContact O-N 3.09Å; I68-V77 HydrophobicContact CD1-CG2 3.74Å; I68-V77 HydrophobicContact CG1-CG2 4.03Å |
| 78 | L | 95 | Very high | 89.8 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.4 | 172.6 | -47 | -179.5 | 0 | 0 | 0 | 107.5 | L65 I76 A83 A87 | L65-L78 HydrophobicContact CD1-CD2 3.23Å; I76-L78 HydrophobicContact CG2-CD2 4.17Å; L78-A83 HydrophobicContact CB-CB 4.42Å; L78-A87 HydrophobicContact CD1-CB 3.35Å |
| 79 | S | 94.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | trans | -120.3 | 3.2 | -173 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | A59 D64 F66 | A59-S79 VanDerWaalsContact CB-CB 3.46Å; A59-S79 WeakPolarHBondContact CB-OG 3.41Å; D64-S79 PolarHBondContact O-N 2.91Å; F66-S79 WeakPolarHBondContact CE1-OG 3.48Å | ||
| 80 | S | 94.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -122 | 157.7 | 169.2 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | D64 E82 A83 A84 | D64-S80 WeakPolarHBondContact CB-OG 3.44Å; D64-S80 VanDerWaalsContact OD2-CB 3.26Å; D64-S80 WeakPolarHBondContact OD2-CB 3.36Å; D64-S80 PolarHBondContact OD2-OG 3Å; S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 3.39Å; S80-A83 PolarHBondContact O-N 3Å; S80-A83 WeakPolarHBondContact OG-CB 3.29Å; S80-A83 PolarHBondContact OG-N 2.78Å; S80-A84 WeakPolarHBondContact O-CB 3.45Å; S80-A84 PolarHBondContact O-N 3.1Å |
| 81 | M | 95.7 | Very high | 90 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.4 | -178.9 | -175.9 | 57.7 | 0 | 0 | 110.9 | A84 K85 | M81-A84 PolarHBondContact O-N 3.04Å; M81-K85 HydrophobicContact CG-CD 4.09Å; M81-K85 HydrophobicContact CG-CG 4.38Å; M81-K85 WeakPolarHBondContact O-CB 3.19Å; M81-K85 WeakPolarHBondContact O-CG 3.4Å; M81-K85 PolarHBondContact O-N 3.22Å; M81-K85 PolarHBondContact SD-NZ 3.26Å; M81-K85 VanDerWaalsContact SD-NZ 3.4Å |
| 82 | E | 94.4 | Very high | 90.3 | Very high | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | -179.8 | -67.4 | 64.4 | -142.1 | 0 | 0 | 110.4 | S80 A84 K85 Q86 | S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 3.39Å; E82-A84 PolarHBondContact O-N 3.41Å; E82-K85 PolarHBondContact O-N 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.33Å; E82-Q86 PolarHBondContact O-N 3.12Å |
| 83 | A | 92.1 | Very high | 90.8 | Very high | 17 Ų | 17 | 81.5 Ų | 81.5 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L78 S80 Q86 A87 | L78-A83 HydrophobicContact CB-CB 4.42Å; S80-A83 PolarHBondContact O-N 3Å; S80-A83 WeakPolarHBondContact OG-CB 3.29Å; S80-A83 PolarHBondContact OG-N 2.78Å; A83-Q86 PolarHBondContact O-N 3.32Å; A83-A87 WeakPolarHBondContact O-CB 3.32Å; A83-A87 PolarHBondContact O-N 2.98Å |
| 84 | A | 94.1 | Very high | 91 | Very high | 23 Ų | 23 | 78.6 Ų | 78.6 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S80 M81 E82 Q86 A87 F88 | S80-A84 WeakPolarHBondContact O-CB 3.45Å; S80-A84 PolarHBondContact O-N 3.1Å; M81-A84 PolarHBondContact O-N 3.04Å; E82-A84 PolarHBondContact O-N 3.41Å; A84-Q86 PolarHBondContact O-N 3.4Å; A84-A87 PolarHBondContact O-N 2.98Å; A84-F88 HydrophobicContact CB-CD2 4.2Å; A84-F88 HydrophobicContact CB-CE2 4.06Å; A84-F88 WeakPolarHBondContact O-CB 3.36Å; A84-F88 WeakPolarHBondContact O-CD2 3.44Å; A84-F88 WeakPolarHBondContact O-CG 3.49Å; A84-F88 PolarHBondContact O-N 3.44Å |
| 85 | K | 94.5 | Very high | 90.7 | Very high | 135 Ų | 135 | 76.6 Ų | 76.6 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 176.9 | -80 | 176.3 | 176.7 | 173.1 | 0 | 111.7 | M81 E82 A87 G89 | M81-K85 HydrophobicContact CG-CD 4.09Å; M81-K85 HydrophobicContact CG-CG 4.38Å; M81-K85 WeakPolarHBondContact O-CB 3.19Å; M81-K85 WeakPolarHBondContact O-CG 3.4Å; M81-K85 PolarHBondContact O-N 3.22Å; M81-K85 PolarHBondContact SD-NZ 3.26Å; M81-K85 VanDerWaalsContact SD-NZ 3.4Å; E82-K85 PolarHBondContact O-N 3.27Å; K85-A87 VanDerWaalsContact C-N 3.34Å; K85-A87 PolarHBondContact O-N 2.94Å; K85-G89 PolarHBondContact O-N 3.29Å; K85-G89 VanDerWaalsContact O-N 3.08Å |
| 86 | Q | 92.8 | Very high | 90.3 | Very high | 136 Ų | 136 | 80.8 Ų | 80.8 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 177.9 | -71.5 | -178.4 | 18.1 | 0 | 0 | 112.3 | E82 A83 A84 K90 | E82-Q86 WeakPolarHBondContact O-CG 3.33Å; E82-Q86 PolarHBondContact O-N 3.12Å; A83-Q86 PolarHBondContact O-N 3.32Å; A84-Q86 PolarHBondContact O-N 3.4Å; Q86-K90 WeakPolarHBondContact O-CG 3.39Å |
| 87 | A | 92.2 | Very high | 89.6 | Confident | 12 Ų | 12 | 80 Ų | 80 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.3 | -48.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L78 A83 A84 K85 G89 K90 L93 | L78-A87 HydrophobicContact CD1-CB 3.35Å; A83-A87 WeakPolarHBondContact O-CB 3.32Å; A83-A87 PolarHBondContact O-N 2.98Å; A84-A87 PolarHBondContact O-N 2.98Å; K85-A87 VanDerWaalsContact C-N 3.34Å; K85-A87 PolarHBondContact O-N 2.94Å; A87-G89 PolarHBondContact O-N 2.93Å; A87-K90 PolarHBondContact O-N 3.42Å; A87-K90 VanDerWaalsContact O-N 3.11Å; A87-L93 HydrophobicContact CB-CD1 3.9Å |
| 88 | F | 90.5 | Very high | 88.4 | Confident | 170 Ų | 170 | 84.6 Ų | 84.6 | 75% | 0.746 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.7 | -15.1 | -178.2 | -64.2 | -41.5 | 0 | 0 | 0 | 113.8 | A84 K90 | A84-F88 HydrophobicContact CB-CD2 4.2Å; A84-F88 HydrophobicContact CB-CE2 4.06Å; A84-F88 WeakPolarHBondContact O-CB 3.36Å; A84-F88 WeakPolarHBondContact O-CD2 3.44Å; A84-F88 WeakPolarHBondContact O-CG 3.49Å; A84-F88 PolarHBondContact O-N 3.44Å; F88-K90 VanDerWaalsContact C-N 3.3Å |
| 89 | G | 89.4 | Confident | 87.2 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K85 A87 | K85-G89 PolarHBondContact O-N 3.29Å; K85-G89 VanDerWaalsContact O-N 3.08Å; A87-G89 PolarHBondContact O-N 2.93Å |
| 90 | K | 89.7 | Confident | 85.7 | Confident | 111 Ų | 111 | 84 Ų | 84 | 48% | 0.483 | 45% | 0.452 | S | S | . | . | trans | -101.6 | 128.8 | -174.6 | -73.5 | -179.8 | -176.5 | -178.1 | 0 | 112.3 | Q86 A87 F88 E92 L93 S94 | Q86-K90 WeakPolarHBondContact O-CG 3.39Å; A87-K90 PolarHBondContact O-N 3.42Å; A87-K90 VanDerWaalsContact O-N 3.11Å; F88-K90 VanDerWaalsContact C-N 3.3Å; K90-E92 VanDerWaalsContact C-N 3.3Å; K90-E92 WeakPolarHBondContact CB-OE2 3.3Å; K90-E92 PolarHBondContact O-N 3.19Å; K90-L93 HydrophobicContact CB-CB 4.43Å; K90-L93 HydrophobicContact CB-CD1 4.23Å; K90-L93 HydrophobicContact CB-CG 4.26Å; K90-L93 HydrophobicContact CD-CD1 4.28Å; K90-L93 PolarHBondContact O-N 2.93Å; K90-S94 PolarHBondContact O-OG 3.42Å | ||
| 91 | L | 85.2 | Confident | 84.2 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -67.7 | -33.4 | -179.2 | -163.4 | 63.5 | 0 | 0 | 0 | 112.1 | L93 S94 F118 | L91-L93 PolarHBondContact O-N 3.45Å; L91-S94 WeakPolarHBondContact O-CB 3.23Å; L91-S94 PolarHBondContact O-N 2.79Å; L91-S94 PolarHBondContact O-OG 3Å; L91-F118 HydrophobicContact CD1-CD1 4.05Å; L91-F118 HydrophobicContact CD1-CD2 4.04Å; L91-F118 HydrophobicContact CD1-CE1 3.44Å; L91-F118 VanDerWaalsContact CD1-CE1 3.44Å; L91-F118 HydrophobicContact CD1-CE2 3.42Å; L91-F118 VanDerWaalsContact CD1-CE2 3.42Å; L91-F118 HydrophobicContact CD1-CG 4.31Å; L91-F118 HydrophobicContact CD1-CZ 3.08Å; L91-F118 HydrophobicContact CD2-CE1 3.78Å; L91-F118 HydrophobicContact CD2-CZ 4.04Å; L91-F118 HydrophobicContact CG-CD1 4.28Å; L91-F118 HydrophobicContact CG-CE1 3.78Å; L91-F118 HydrophobicContact CG-CZ 3.94Å |
| 92 | E | 86.4 | Confident | 82.7 | Confident | 161 Ų | 161 | 78.3 Ų | 78.3 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -63.7 | -23.7 | 179.3 | -52.2 | 84.3 | 176.7 | 0 | 0 | 112.1 | K90 | K90-E92 VanDerWaalsContact C-N 3.3Å; K90-E92 WeakPolarHBondContact CB-OE2 3.3Å; K90-E92 PolarHBondContact O-N 3.19Å |
| 93 | L | 87.6 | Confident | 81.3 | Confident | 105 Ų | 105 | 75 Ų | 75 | 55% | 0.55 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -98.8 | 4.5 | 177.9 | -58.7 | 179.5 | 0 | 0 | 0 | 112.8 | A87 K90 L91 G95 | A87-L93 HydrophobicContact CB-CD1 3.9Å; K90-L93 HydrophobicContact CB-CB 4.43Å; K90-L93 HydrophobicContact CB-CD1 4.23Å; K90-L93 HydrophobicContact CB-CG 4.26Å; K90-L93 HydrophobicContact CD-CD1 4.28Å; K90-L93 PolarHBondContact O-N 2.93Å; L91-L93 PolarHBondContact O-N 3.45Å; L93-G95 PolarHBondContact O-N 3.23Å |
| 94 | S | 83.9 | Confident | 79.9 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 24% | 0.238 | 41% | 0.407 | C | S | . | . | trans | -80.6 | 3.9 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | K90 L91 R96 | K90-S94 PolarHBondContact O-OG 3.42Å; L91-S94 WeakPolarHBondContact O-CB 3.23Å; L91-S94 PolarHBondContact O-N 2.79Å; L91-S94 PolarHBondContact O-OG 3Å; S94-R96 PolarHBondContact O-NH1 3.4Å | ||
| 95 | G | 80.5 | Confident | 78.3 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | trans | -60 | 168.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L93 | L93-G95 PolarHBondContact O-N 3.23Š| ||
| 96 | R | 79.5 | Confident | 76.7 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | trans | -126 | 136.8 | 171.5 | -67.9 | -66 | -178.5 | -92.4 | 2.6 | 108.8 | S94 S98 A114 T116 | S94-R96 PolarHBondContact O-NH1 3.4Å; R96-S98 PolarHBondContact O-N 3.28Å; R96-A114 PolarHBondContact NE-O 3.07Å; R96-A114 VanDerWaalsContact NE-O 3.12Å; R96-T116 WeakPolarHBondContact CG-O 3.42Å | ||
| 97 | P | 75.3 | Confident | 75 | Confident | 79 Ų | 79 | 69 Ų | 69 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | trans | -57.1 | 129.6 | 171 | -23.6 | 33.8 | 0 | 0 | 0 | 110.5 | F99 | P97-F99 HydrophobicContact CB-CD1 4.15Å; P97-F99 HydrophobicContact CB-CD2 4.47Å; P97-F99 HydrophobicContact CB-CE1 3.6Å; P97-F99 HydrophobicContact CB-CE2 3.93Å; P97-F99 HydrophobicContact CB-CZ 3.47Å; P97-F99 VanDerWaalsContact CB-CZ 3.47Å; P97-F99 HydrophobicContact CG-CE2 4.42Å; P97-F99 HydrophobicContact CG-CZ 4.05Å; P97-F99 PolarHBondContact O-N 2.9Å; P97-F99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | S | 68.9 | Low | 73.1 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 78% | 0.783 | 39% | 0.394 | S | S | * | . | trans | -75 | 102.2 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 109 | R96 | R96-S98 PolarHBondContact O-N 3.28Š| ||
| 99 | F | 70.3 | Confident | 71.3 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | trans | -107.9 | 142.8 | 173.2 | -62.9 | -34.7 | 0 | 0 | 0 | 110.3 | P97 S101 L102 A103 N214 F215 N218 | P97-F99 HydrophobicContact CB-CD1 4.15Å; P97-F99 HydrophobicContact CB-CD2 4.47Å; P97-F99 HydrophobicContact CB-CE1 3.6Å; P97-F99 HydrophobicContact CB-CE2 3.93Å; P97-F99 HydrophobicContact CB-CZ 3.47Å; P97-F99 VanDerWaalsContact CB-CZ 3.47Å; P97-F99 HydrophobicContact CG-CE2 4.42Å; P97-F99 HydrophobicContact CG-CZ 4.05Å; P97-F99 PolarHBondContact O-N 2.9Å; P97-F99 VanDerWaalsContact O-N 3.13Å; F99-S101 PolarHBondContact O-N 3.23Å; F99-L102 HydrophobicContact CB-CB 4.1Å; F99-L102 HydrophobicContact CB-CD1 3.95Å; F99-L102 HydrophobicContact CB-CG 3.82Å; F99-L102 HydrophobicContact CD2-CD1 3.44Å; F99-L102 VanDerWaalsContact CD2-CD1 3.44Å; F99-L102 HydrophobicContact CD2-CG 4Å; F99-L102 HydrophobicContact CE2-CD1 4.33Å; F99-L102 HydrophobicContact CG-CD1 4.1Å; F99-L102 HydrophobicContact CG-CG 4.42Å; F99-L102 WeakPolarHBondContact O-CA 3.23Å; F99-L102 WeakPolarHBondContact O-CB 3.05Å; F99-L102 PolarHBondContact O-N 3.12Å; F99-A103 PolarHBondContact O-N 3.42Å; F99-A103 VanDerWaalsContact O-N 3.09Å; F99-N214 WeakPolarHBondContact CB-ND2 3.38Å; F99-F215 HydrophobicContact CZ-CD2 4.45Å; F99-N218 WeakPolarHBondContact CB-ND2 3.17Å; F99-N218 HydrophobicContact CD1-CB 3.79Å; F99-N218 VanDerWaalsContact CD1-CG 3.43Å; F99-N218 WeakPolarHBondContact CD1-ND2 3.18Å; F99-N218 HydrophobicContact CE1-CB 4.13Å; F99-N218 VanDerWaalsContact CG-ND2 3.35Å; F99-N218 WeakPolarHBondContact CG-ND2 3.26Å | ||
| 100 | E | 62.7 | Low | 69.6 | Low | 70 Ų | 70 | 64 Ų | 64 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | -178.6 | -172.4 | -173.4 | -177.4 | 0 | 0 | 113 | L102 A103 V104 R224 | E100-L102 PolarHBondContact O-N 3.18Å; E100-A103 WeakPolarHBondContact O-CA 3.04Å; E100-A103 WeakPolarHBondContact O-CB 3.5Å; E100-A103 PolarHBondContact O-N 3.26Å; E100-V104 PolarHBondContact O-N 3.43Å; E100-R224 VanDerWaalsContact CD-CZ 3.42Å; E100-R224 IonicContact OE1-CZ 2.65Å; E100-R224 IonicContact OE1-NE 2.63Å; E100-R224 PolarHBondContact OE1-NE 3.44Å; E100-R224 IonicContact OE1-NH2 3.76Å; E100-R224 PolarHBondContact OE1-NH2 2.98Å; E100-R224 WeakPolarHBondContact OE2-CD 3.44Å; E100-R224 IonicContact OE2-CZ 3.82Å; E100-R224 IonicContact OE2-NE 3.98Å; E100-R224 PolarHBondContact OE2-NE 3.41Å; E100-R224 IonicContact OE2-NH1 3.39Å; E100-R224 IonicContact OE2-NH2 2.8Å; E100-R224 PolarHBondContact OE2-NH2 3.38Å |
| 101 | S | 61.6 | Low | 67.9 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -25.5 | 175.4 | 88.2 | 0 | 0 | 0 | 0 | 112.6 | F99 V104 N214 | F99-S101 PolarHBondContact O-N 3.23Å; S101-V104 WeakPolarHBondContact O-CB 3.15Å; S101-V104 PolarHBondContact O-N 3.04Å; S101-N214 VanDerWaalsContact CB-CB 3.48Å; S101-N214 WeakPolarHBondContact CB-OD1 3.27Å; S101-N214 PolarHBondContact N-OD1 3.45Å; S101-N214 WeakPolarHBondContact OG-CB 3.17Å; S101-N214 PolarHBondContact OG-ND2 3.5Å; S101-N214 PolarHBondContact OG-OD1 2.92Å |
| 102 | L | 64.7 | Low | 66.9 | Low | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.2 | -19.9 | 173.3 | -62.8 | -175.3 | 0 | 0 | 0 | 111.5 | F99 E100 V104 F105 N106 F115 M211 | F99-L102 HydrophobicContact CB-CB 4.1Å; F99-L102 HydrophobicContact CB-CD1 3.95Å; F99-L102 HydrophobicContact CB-CG 3.82Å; F99-L102 HydrophobicContact CD2-CD1 3.44Å; F99-L102 VanDerWaalsContact CD2-CD1 3.44Å; F99-L102 HydrophobicContact CD2-CG 4Å; F99-L102 HydrophobicContact CE2-CD1 4.33Å; F99-L102 HydrophobicContact CG-CD1 4.1Å; F99-L102 HydrophobicContact CG-CG 4.42Å; F99-L102 WeakPolarHBondContact O-CA 3.23Å; F99-L102 WeakPolarHBondContact O-CB 3.05Å; F99-L102 PolarHBondContact O-N 3.12Å; E100-L102 PolarHBondContact O-N 3.18Å; L102-V104 VanDerWaalsContact C-N 3.3Å; L102-F105 HydrophobicContact CD2-CD2 3.66Å; L102-F105 HydrophobicContact CD2-CE2 3.87Å; L102-F105 WeakPolarHBondContact O-CB 3.46Å; L102-F105 PolarHBondContact O-N 3.49Å; L102-N106 VanDerWaalsContact O-CG 3.26Å; L102-N106 PolarHBondContact O-N 3.38Å; L102-N106 PolarHBondContact O-ND2 3.08Å; L102-F115 HydrophobicContact CB-CB 4.13Å; L102-F115 HydrophobicContact CD1-CB 4.01Å; L102-F115 HydrophobicContact CD1-CD1 3.57Å; L102-F115 HydrophobicContact CD1-CE1 4.38Å; L102-F115 HydrophobicContact CD1-CG 4.01Å; L102-F115 HydrophobicContact CD2-CB 3.99Å; L102-F115 HydrophobicContact CD2-CD1 3.41Å; L102-F115 VanDerWaalsContact CD2-CD1 3.41Å; L102-F115 HydrophobicContact CD2-CD2 3.8Å; L102-F115 HydrophobicContact CD2-CE1 3.78Å; L102-F115 HydrophobicContact CD2-CE2 4.15Å; L102-F115 HydrophobicContact CD2-CG 3.44Å; L102-F115 VanDerWaalsContact CD2-CG 3.44Å; L102-F115 HydrophobicContact CD2-CZ 4.15Å; L102-F115 HydrophobicContact CG-CB 4.25Å; L102-F115 HydrophobicContact CG-CD1 4.08Å; L102-F115 HydrophobicContact CG-CG 4.17Å; L102-M211 HydrophobicContact CD2-CE 3.89Å; L102-M211 HydrophobicContact CD2-SD 3.59Å; L102-M211 VanDerWaalsContact CD2-SD 3.59Å |
| 103 | A | 65.2 | Low | 66.1 | Low | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.3 | -27.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F99 E100 F105 N106 N107 | F99-A103 PolarHBondContact O-N 3.42Å; F99-A103 VanDerWaalsContact O-N 3.09Å; E100-A103 WeakPolarHBondContact O-CA 3.04Å; E100-A103 WeakPolarHBondContact O-CB 3.5Å; E100-A103 PolarHBondContact O-N 3.26Å; A103-F105 VanDerWaalsContact C-N 3.25Å; A103-F105 PolarHBondContact O-N 3.48Å; A103-N106 PolarHBondContact O-N 3.03Å; A103-N107 VanDerWaalsContact O-CB 3.23Å; A103-N107 WeakPolarHBondContact O-CB 3.26Å; A103-N107 PolarHBondContact O-N 3.02Å; A103-N107 PolarHBondContact O-ND2 2.93Å |
| 104 | V | 62.7 | Low | 65.5 | Low | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 168.9 | 169 | 0 | 0 | 0 | 0 | 109.5 | E100 S101 L102 E108 V109 F234 R235 | E100-V104 PolarHBondContact O-N 3.43Å; S101-V104 WeakPolarHBondContact O-CB 3.15Å; S101-V104 PolarHBondContact O-N 3.04Å; L102-V104 VanDerWaalsContact C-N 3.3Å; V104-E108 HydrophobicContact CG1-CB 4.44Å; V104-E108 VanDerWaalsContact CG1-OE2 3.3Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.4Å; V104-E108 WeakPolarHBondContact O-CA 3.38Å; V104-E108 VanDerWaalsContact O-CB 3.23Å; V104-E108 WeakPolarHBondContact O-CB 3.07Å; V104-E108 PolarHBondContact O-N 3.43Å; V104-V109 PolarHBondContact O-N 2.93Å; V104-V109 VanDerWaalsContact O-N 3.14Å; V104-F234 HydrophobicContact CG1-CD1 3.98Å; V104-F234 HydrophobicContact CG1-CE1 4.08Å; V104-R235 HydrophobicContact CG1-CB 4.35Å |
| 105 | F | 61.8 | Low | 65 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 174.5 | -62 | -55.9 | 0 | 0 | 0 | 112.8 | L102 A103 N107 V109 E112 F115 F207 M211 F234 | L102-F105 HydrophobicContact CD2-CD2 3.66Å; L102-F105 HydrophobicContact CD2-CE2 3.87Å; L102-F105 WeakPolarHBondContact O-CB 3.46Å; L102-F105 PolarHBondContact O-N 3.49Å; A103-F105 VanDerWaalsContact C-N 3.25Å; A103-F105 PolarHBondContact O-N 3.48Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 2.92Å; F105-V109 HydrophobicContact CD1-CB 4.05Å; F105-V109 HydrophobicContact CD1-CG2 3.78Å; F105-V109 HydrophobicContact CE1-CG2 4.36Å; F105-V109 CarbonylContact O-C 3.23Å; F105-V109 PolarHBondContact O-N 3.1Å; F105-E112 HydrophobicContact CB-CB 4.15Å; F105-E112 HydrophobicContact CB-CG 4.2Å; F105-E112 WeakPolarHBondContact CB-OE2 3.34Å; F105-E112 HydrophobicContact CD1-CG 4.39Å; F105-E112 WeakPolarHBondContact CD1-OE1 3.41Å; F105-E112 WeakPolarHBondContact CD1-OE2 3.45Å; F105-E112 VanDerWaalsContact CE1-OE1 3.32Å; F105-E112 WeakPolarHBondContact CE1-OE1 3.32Å; F105-E112 VanDerWaalsContact CG-CD 3.45Å; F105-E112 WeakPolarHBondContact CG-OE2 3.34Å; F105-F115 HydrophobicContact CB-CD2 4.43Å; F105-F115 AromaticContact CD2-CD2 3.8Å; F105-F115 HydrophobicContact CD2-CD2 3.8Å; F105-F115 HydrophobicContact CD2-CE2 4.11Å; F105-F115 HydrophobicContact CE2-CD2 4.41Å; F105-F115 HydrophobicContact CE2-CE2 4.27Å; F105-F115 HydrophobicContact CG-CD2 4.25Å; F105-F207 AromaticContact CE1-CD2 3.94Å; F105-F207 HydrophobicContact CE1-CD2 3.94Å; F105-F207 AromaticContact CE1-CE2 3.95Å; F105-F207 HydrophobicContact CE1-CE2 3.95Å; F105-F207 HydrophobicContact CE2-CD2 4.11Å; F105-F207 AromaticContact CE2-CE2 3.61Å; F105-F207 HydrophobicContact CE2-CE2 3.61Å; F105-F207 AromaticContact CZ-CD2 3.28Å; F105-F207 HydrophobicContact CZ-CD2 3.28Å; F105-F207 AromaticContact CZ-CE2 3.19Å; F105-F207 HydrophobicContact CZ-CE2 3.19Å; F105-F207 HydrophobicContact CZ-CZ 4.42Å; F105-M211 HydrophobicContact CE2-SD 4.35Å; F105-F234 HydrophobicContact CD1-CE1 4.27Å; F105-F234 HydrophobicContact CD1-CZ 4.48Å; F105-F234 AromaticContact CE1-CE1 3.38Å; F105-F234 HydrophobicContact CE1-CE1 3.38Å; F105-F234 AromaticContact CE1-CZ 3.28Å; F105-F234 HydrophobicContact CE1-CZ 3.28Å; F105-F234 HydrophobicContact CE2-CE1 4.08Å; F105-F234 HydrophobicContact CE2-CZ 4.3Å; F105-F234 AromaticContact CZ-CE1 3.21Å; F105-F234 HydrophobicContact CZ-CE1 3.21Å; F105-F234 HydrophobicContact CZ-CE2 4.39Å; F105-F234 AromaticContact CZ-CZ 3.13Å; F105-F234 HydrophobicContact CZ-CZ 3.13Å |
| 106 | N | 59.6 | Low | 64.4 | Low | 53 Ų | 53 | 47.6 Ų | 47.6 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.2 | -23.6 | -177.8 | -64.4 | -28.6 | 0 | 0 | 0 | 114.1 | L102 A103 T116 | L102-N106 VanDerWaalsContact O-CG 3.26Å; L102-N106 PolarHBondContact O-N 3.38Å; L102-N106 PolarHBondContact O-ND2 3.08Å; A103-N106 PolarHBondContact O-N 3.03Å; N106-T116 VanDerWaalsContact OD1-CG2 3.22Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.37Å |
| 107 | N | 57.6 | Low | 64 | Low | 126 Ų | 126 | 45.4 Ų | 45.4 | 67% | 0.674 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -112.8 | -30 | -173.1 | -65.1 | -24.9 | 0 | 0 | 0 | 113.9 | A103 F105 | A103-N107 VanDerWaalsContact O-CB 3.23Å; A103-N107 WeakPolarHBondContact O-CB 3.26Å; A103-N107 PolarHBondContact O-N 3.02Å; A103-N107 PolarHBondContact O-ND2 2.93Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 2.92Å |
| 108 | E | 52.1 | Low | 64 | Low | 60 Ų | 60 | 45.8 Ų | 45.8 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -33.2 | -167.6 | -54.2 | 174.7 | 148.2 | 0 | 0 | 111.8 | V104 K110 R235 | V104-E108 HydrophobicContact CG1-CB 4.44Å; V104-E108 VanDerWaalsContact CG1-OE2 3.3Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.4Å; V104-E108 WeakPolarHBondContact O-CA 3.38Å; V104-E108 VanDerWaalsContact O-CB 3.23Å; V104-E108 WeakPolarHBondContact O-CB 3.07Å; V104-E108 PolarHBondContact O-N 3.43Å; E108-K110 PolarHBondContact O-N 3.01Å; E108-R235 WeakPolarHBondContact OE1-CD 3.41Å; E108-R235 IonicContact OE1-CZ 3.3Å; E108-R235 IonicContact OE1-NE 3.81Å; E108-R235 PolarHBondContact OE1-NE 2.75Å; E108-R235 IonicContact OE1-NH2 3.98Å; E108-R235 VanDerWaalsContact OE2-CD 3.28Å; E108-R235 WeakPolarHBondContact OE2-CD 3.38Å; E108-R235 WeakPolarHBondContact OE2-CG 3.36Å; E108-R235 IonicContact OE2-CZ 3.04Å; E108-R235 IonicContact OE2-NE 3.88Å; E108-R235 PolarHBondContact OE2-NE 3.49Å |
| 109 | V | 51.8 | Low | 64.5 | Low | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -96.6 | 87.2 | 170 | -170 | 0 | 0 | 0 | 0 | 109.7 | V104 F105 G111 E112 N238 | V104-V109 PolarHBondContact O-N 2.93Å; V104-V109 VanDerWaalsContact O-N 3.14Å; F105-V109 HydrophobicContact CD1-CB 4.05Å; F105-V109 HydrophobicContact CD1-CG2 3.78Å; F105-V109 HydrophobicContact CE1-CG2 4.36Å; F105-V109 CarbonylContact O-C 3.23Å; F105-V109 PolarHBondContact O-N 3.1Å; V109-G111 PolarHBondContact O-N 2.92Å; V109-E112 HydrophobicContact CB-CG 4.14Å; V109-E112 HydrophobicContact CG1-CG 3.82Å; V109-E112 WeakPolarHBondContact CG1-OE1 3.33Å; V109-N238 HydrophobicContact CG2-CB 3.41Å; V109-N238 VanDerWaalsContact CG2-CB 3.41Å; V109-N238 VanDerWaalsContact CG2-OD1 3.27Å; V109-N238 WeakPolarHBondContact CG2-OD1 3.37Å |
| 110 | K | 53.8 | Low | 65 | Low | 72 Ų | 72 | 48.9 Ų | 48.9 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 128.8 | 179.9 | -59.6 | -173.9 | -173.2 | 162.3 | 0 | 110.2 | E108 E246 H269 E272 | E108-K110 PolarHBondContact O-N 3.01Å; K110-E246 VanDerWaalsContact CD-OE1 3.25Å; K110-E246 WeakPolarHBondContact CD-OE1 3.08Å; K110-E246 VanDerWaalsContact CE-OE1 3.26Å; K110-E246 WeakPolarHBondContact CE-OE1 3.45Å; K110-E246 IonicContact NZ-OE1 2.94Å; K110-E246 PolarHBondContact NZ-OE1 2.72Å; K110-E246 IonicContact NZ-OE2 2.63Å; K110-H269 WeakPolarHBondContact CD-CE1 3.28Å; K110-H269 VanDerWaalsContact CD-ND1 3.27Å; K110-H269 WeakPolarHBondContact CD-ND1 3.33Å; K110-H269 PolarHBondContact NZ-CE1 3.32Å; K110-E272 WeakPolarHBondContact CA-OE2 3.29Å; K110-E272 WeakPolarHBondContact CB-OE2 3.4Å; K110-E272 WeakPolarHBondContact CG-OE2 3.3Å |
| 111 | G | 54.5 | Low | 65.7 | Low | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 10.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | V109 F113 T268 E272 | V109-G111 PolarHBondContact O-N 2.92Å; G111-F113 PolarHBondContact O-N 2.91Å; G111-T268 WeakPolarHBondContact CA-OG1 3.22Å; G111-E272 PolarHBondContact N-OE1 2.88Å |
| 112 | E | 64.1 | Low | 66.5 | Low | 46 Ų | 46 | 47.9 Ų | 47.9 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | trans | -76.9 | 122.1 | 166 | -64.6 | -154.4 | -172.8 | 0 | 0 | 111.2 | F105 V109 F115 T116 | F105-E112 HydrophobicContact CB-CB 4.15Å; F105-E112 HydrophobicContact CB-CG 4.2Å; F105-E112 WeakPolarHBondContact CB-OE2 3.34Å; F105-E112 HydrophobicContact CD1-CG 4.39Å; F105-E112 WeakPolarHBondContact CD1-OE1 3.41Å; F105-E112 WeakPolarHBondContact CD1-OE2 3.45Å; F105-E112 VanDerWaalsContact CE1-OE1 3.32Å; F105-E112 WeakPolarHBondContact CE1-OE1 3.32Å; F105-E112 VanDerWaalsContact CG-CD 3.45Å; F105-E112 WeakPolarHBondContact CG-OE2 3.34Å; V109-E112 HydrophobicContact CB-CG 4.14Å; V109-E112 HydrophobicContact CG1-CG 3.82Å; V109-E112 WeakPolarHBondContact CG1-OE1 3.33Å; E112-F115 VanDerWaalsContact OE2-CD2 3.27Å; E112-F115 WeakPolarHBondContact OE2-CD2 3.33Å; E112-T116 WeakPolarHBondContact O-CG2 3.49Å | ||
| 113 | F | 70.1 | Confident | 67.3 | Low | 44 Ų | 44 | 50.2 Ų | 50.2 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -107.6 | -20 | 175.5 | 67.8 | -83.2 | 0 | 0 | 0 | 112.3 | G111 F115 T116 I125 R126 L129 F264 | G111-F113 PolarHBondContact O-N 2.91Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.32Å; F113-T116 PolarHBondContact O-N 2.9Å; F113-T116 PolarHBondContact O-OG1 2.59Å; F113-I125 HydrophobicContact CB-CG2 3.95Å; F113-I125 HydrophobicContact CD1-CG2 3.75Å; F113-I125 HydrophobicContact CE1-CG2 4.47Å; F113-I125 HydrophobicContact CG-CG2 3.86Å; F113-R126 HydrophobicContact CE2-CB 4.4Å; F113-L129 HydrophobicContact CE1-CD2 3.89Å; F113-L129 HydrophobicContact CZ-CD2 3.72Å; F113-F264 HydrophobicContact CD1-CZ 4.01Å; F113-F264 HydrophobicContact CE1-CE2 4.37Å; F113-F264 AromaticContact CE1-CZ 3.73Å; F113-F264 HydrophobicContact CE1-CZ 3.73Å | ||
| 114 | A | 75.6 | Confident | 68.2 | Low | 47 Ų | 47 | 53.6 Ų | 53.6 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -32.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R96 | R96-A114 PolarHBondContact NE-O 3.07Å; R96-A114 VanDerWaalsContact NE-O 3.12Å |
| 115 | F | 72.4 | Confident | 69.1 | Low | 48 Ų | 48 | 54 Ų | 54 | 21% | 0.211 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -0.8 | -177.9 | -59.4 | -60.6 | 0 | 0 | 0 | 114.2 | L102 F105 E112 F113 F207 M211 | L102-F115 HydrophobicContact CB-CB 4.13Å; L102-F115 HydrophobicContact CD1-CB 4.01Å; L102-F115 HydrophobicContact CD1-CD1 3.57Å; L102-F115 HydrophobicContact CD1-CE1 4.38Å; L102-F115 HydrophobicContact CD1-CG 4.01Å; L102-F115 HydrophobicContact CD2-CB 3.99Å; L102-F115 HydrophobicContact CD2-CD1 3.41Å; L102-F115 VanDerWaalsContact CD2-CD1 3.41Å; L102-F115 HydrophobicContact CD2-CD2 3.8Å; L102-F115 HydrophobicContact CD2-CE1 3.78Å; L102-F115 HydrophobicContact CD2-CE2 4.15Å; L102-F115 HydrophobicContact CD2-CG 3.44Å; L102-F115 VanDerWaalsContact CD2-CG 3.44Å; L102-F115 HydrophobicContact CD2-CZ 4.15Å; L102-F115 HydrophobicContact CG-CB 4.25Å; L102-F115 HydrophobicContact CG-CD1 4.08Å; L102-F115 HydrophobicContact CG-CG 4.17Å; F105-F115 HydrophobicContact CB-CD2 4.43Å; F105-F115 AromaticContact CD2-CD2 3.8Å; F105-F115 HydrophobicContact CD2-CD2 3.8Å; F105-F115 HydrophobicContact CD2-CE2 4.11Å; F105-F115 HydrophobicContact CE2-CD2 4.41Å; F105-F115 HydrophobicContact CE2-CE2 4.27Å; F105-F115 HydrophobicContact CG-CD2 4.25Å; E112-F115 VanDerWaalsContact OE2-CD2 3.27Å; E112-F115 WeakPolarHBondContact OE2-CD2 3.33Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.32Å; F115-F207 HydrophobicContact CE2-CE2 4.05Å; F115-F207 HydrophobicContact CE2-CZ 4.01Å; F115-F207 HydrophobicContact CZ-CE2 4.29Å; F115-F207 AromaticContact CZ-CZ 3.79Å; F115-F207 HydrophobicContact CZ-CZ 3.79Å; F115-M211 HydrophobicContact CE1-CE 4.15Å; F115-M211 HydrophobicContact CZ-CE 4.41Å |
| 116 | T | 69 | Low | 70.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -77.9 | 147 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | R96 N106 E112 F113 | R96-T116 WeakPolarHBondContact CG-O 3.42Å; N106-T116 VanDerWaalsContact OD1-CG2 3.22Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.37Å; E112-T116 WeakPolarHBondContact O-CG2 3.49Å; F113-T116 PolarHBondContact O-N 2.9Å; F113-T116 PolarHBondContact O-OG1 2.59Å |
| 117 | S | 69.3 | Low | 71.4 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 147.5 | 167.8 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | S119 | S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 PolarHBondContact O-OG 3.05Å |
| 118 | F | 77.1 | Confident | 72.7 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -51.5 | 128.3 | 177.1 | -178.7 | -94.5 | 0 | 0 | 0 | 111 | L91 I123 | L91-F118 HydrophobicContact CD1-CD1 4.05Å; L91-F118 HydrophobicContact CD1-CD2 4.04Å; L91-F118 HydrophobicContact CD1-CE1 3.44Å; L91-F118 VanDerWaalsContact CD1-CE1 3.44Å; L91-F118 HydrophobicContact CD1-CE2 3.42Å; L91-F118 VanDerWaalsContact CD1-CE2 3.42Å; L91-F118 HydrophobicContact CD1-CG 4.31Å; L91-F118 HydrophobicContact CD1-CZ 3.08Å; L91-F118 HydrophobicContact CD2-CE1 3.78Å; L91-F118 HydrophobicContact CD2-CZ 4.04Å; L91-F118 HydrophobicContact CG-CD1 4.28Å; L91-F118 HydrophobicContact CG-CE1 3.78Å; L91-F118 HydrophobicContact CG-CZ 3.94Å; F118-I123 HydrophobicContact CE1-CD1 4.16Å; F118-I123 HydrophobicContact CE2-CD1 3.73Å; F118-I123 HydrophobicContact CE2-CG1 3.66Å; F118-I123 HydrophobicContact CZ-CD1 3.27Å; F118-I123 HydrophobicContact CZ-CG1 3.77Å |
| 119 | S | 78 | Confident | 74.3 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 29% | 0.294 | C | S | . | . | trans | -156.7 | 158.1 | -179.4 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | S117 A121 C122 I123 | S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 PolarHBondContact O-OG 3.05Å; S119-A121 PolarHBondContact O-N 2.78Å; S119-C122 WeakPolarHBondContact O-CB 3.21Å; S119-C122 PolarHBondContact O-N 2.86Å; S119-C122 PolarHBondContact OG-N 2.92Å; S119-I123 PolarHBondContact O-N 2.73Å; S119-I123 VanDerWaalsContact O-N 3.1Å | ||
| 120 | E | 81.4 | Confident | 76 | Confident | 172 Ų | 172 | 61.9 Ų | 61.9 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56 | -38.9 | 175.7 | -66 | -178.1 | 170.6 | 0 | 0 | 112.1 | C122 I123 F124 | E120-C122 VanDerWaalsContact C-N 3.35Å; E120-C122 PolarHBondContact O-N 3.11Å; E120-I123 PolarHBondContact O-N 3.32Å; E120-F124 WeakPolarHBondContact O-CB 3.25Å; E120-F124 PolarHBondContact O-N 3.08Å |
| 121 | A | 78.2 | Confident | 77.7 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S119 F124 I125 | S119-A121 PolarHBondContact O-N 2.78Å; A121-F124 PolarHBondContact O-N 3.11Å; A121-I125 WeakPolarHBondContact O-CB 3.45Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.02Å |
| 122 | C | 77.6 | Confident | 79.2 | Confident | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.142 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | S119 E120 R126 | S119-C122 WeakPolarHBondContact O-CB 3.21Å; S119-C122 PolarHBondContact O-N 2.86Å; S119-C122 PolarHBondContact OG-N 2.92Å; E120-C122 VanDerWaalsContact C-N 3.35Å; E120-C122 PolarHBondContact O-N 3.11Å; C122-R126 VanDerWaalsContact O-CB 3.3Å; C122-R126 WeakPolarHBondContact O-CB 3.27Å; C122-R126 PolarHBondContact O-N 3.5Å |
| 123 | I | 82.1 | Confident | 80.3 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175 | -59 | 168.9 | 0 | 0 | 0 | 110.6 | F118 S119 E120 R126 K127 | F118-I123 HydrophobicContact CE1-CD1 4.16Å; F118-I123 HydrophobicContact CE2-CD1 3.73Å; F118-I123 HydrophobicContact CE2-CG1 3.66Å; F118-I123 HydrophobicContact CZ-CD1 3.27Å; F118-I123 HydrophobicContact CZ-CG1 3.77Å; S119-I123 PolarHBondContact O-N 2.73Å; S119-I123 VanDerWaalsContact O-N 3.1Å; E120-I123 PolarHBondContact O-N 3.32Å; I123-R126 PolarHBondContact O-N 2.97Å; I123-K127 HydrophobicContact CG2-CD 4.04Å; I123-K127 HydrophobicContact CG2-CG 4.39Å; I123-K127 WeakPolarHBondContact O-CB 3.35Å; I123-K127 WeakPolarHBondContact O-CG 3.49Å; I123-K127 PolarHBondContact O-N 3.4Å |
| 124 | F | 84.3 | Confident | 81.2 | Confident | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 179.5 | 175.6 | -89.5 | 0 | 0 | 0 | 111.1 | E120 A121 R126 K127 A128 M267 | E120-F124 WeakPolarHBondContact O-CB 3.25Å; E120-F124 PolarHBondContact O-N 3.08Å; A121-F124 PolarHBondContact O-N 3.11Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.01Å; F124-K127 PolarHBondContact O-N 2.98Å; F124-A128 WeakPolarHBondContact O-CB 3.26Å; F124-A128 PolarHBondContact O-N 3.44Å; F124-M267 HydrophobicContact CE1-CE 3.4Å; F124-M267 VanDerWaalsContact CE1-CE 3.4Å; F124-M267 HydrophobicContact CZ-CE 3.66Å |
| 125 | I | 80.3 | Confident | 81.7 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 177.1 | -72.9 | 170.2 | 0 | 0 | 0 | 110.6 | F113 A121 K127 A128 L129 F264 T268 C271 | F113-I125 HydrophobicContact CB-CG2 3.95Å; F113-I125 HydrophobicContact CD1-CG2 3.75Å; F113-I125 HydrophobicContact CE1-CG2 4.47Å; F113-I125 HydrophobicContact CG-CG2 3.86Å; A121-I125 WeakPolarHBondContact O-CB 3.45Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.02Å; I125-K127 PolarHBondContact O-N 3.31Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-L129 PolarHBondContact O-N 3.49Å; I125-F264 HydrophobicContact CG2-CD2 4.44Å; I125-F264 HydrophobicContact CG2-CE2 3.45Å; I125-F264 VanDerWaalsContact CG2-CE2 3.45Å; I125-F264 HydrophobicContact CG2-CZ 3.99Å; I125-T268 HydrophobicContact CD1-CG2 4.28Å; I125-T268 HydrophobicContact CG1-CG2 4.26Å; I125-T268 HydrophobicContact CG2-CG2 3.54Å; I125-C271 HydrophobicContact CD1-CB 3.86Å; I125-C271 HydrophobicContact CG1-CB 4.38Å |
| 126 | R | 83.5 | Confident | 82.3 | Confident | 148 Ų | 148 | 67 Ų | 67 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 177.9 | 179.3 | 179 | 171.1 | 91.9 | -0.3 | 111.9 | F113 C122 I123 F124 L129 I130 | F113-R126 HydrophobicContact CE2-CB 4.4Å; C122-R126 VanDerWaalsContact O-CB 3.3Å; C122-R126 WeakPolarHBondContact O-CB 3.27Å; C122-R126 PolarHBondContact O-N 3.5Å; I123-R126 PolarHBondContact O-N 2.97Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.01Å; R126-L129 PolarHBondContact O-N 3.38Å; R126-I130 HydrophobicContact CG-CD1 3.95Å; R126-I130 VanDerWaalsContact O-CG1 3.31Å; R126-I130 WeakPolarHBondContact O-CG1 3.49Å; R126-I130 PolarHBondContact O-N 2.85Å; R126-I130 VanDerWaalsContact O-N 3.09Å |
| 127 | K | 87.6 | Confident | 83.1 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 178 | -76.7 | 179.6 | 179.4 | 176.9 | 0 | 111.8 | I123 F124 I125 R131 | I123-K127 HydrophobicContact CG2-CD 4.04Å; I123-K127 HydrophobicContact CG2-CG 4.39Å; I123-K127 WeakPolarHBondContact O-CB 3.35Å; I123-K127 WeakPolarHBondContact O-CG 3.49Å; I123-K127 PolarHBondContact O-N 3.4Å; F124-K127 PolarHBondContact O-N 2.98Å; I125-K127 PolarHBondContact O-N 3.31Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 3.47Å; K127-R131 VanDerWaalsContact O-N 3.16Å |
| 128 | A | 84.6 | Confident | 84 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F124 I125 I130 R131 S132 | F124-A128 WeakPolarHBondContact O-CB 3.26Å; F124-A128 PolarHBondContact O-N 3.44Å; I125-A128 PolarHBondContact O-N 2.91Å; A128-I130 PolarHBondContact O-N 3.49Å; A128-R131 PolarHBondContact O-N 2.72Å; A128-S132 WeakPolarHBondContact O-CB 3.17Å; A128-S132 PolarHBondContact O-N 3.42Å; A128-S132 PolarHBondContact O-OG 3.41Å |
| 129 | L | 84.6 | Confident | 84.5 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.4 | -51.5 | 177.1 | -175.5 | 54.2 | 0 | 0 | 0 | 112.7 | F113 I125 R126 R131 S132 L133 L261 F264 | F113-L129 HydrophobicContact CE1-CD2 3.89Å; F113-L129 HydrophobicContact CZ-CD2 3.72Å; I125-L129 PolarHBondContact O-N 3.49Å; R126-L129 PolarHBondContact O-N 3.38Å; L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 PolarHBondContact O-N 3.08Å; L129-S132 PolarHBondContact O-N 2.94Å; L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 PolarHBondContact O-N 3.28Å; L129-L261 HydrophobicContact CD1-CD2 4.02Å; L129-F264 HydrophobicContact CB-CD2 3.52Å; L129-F264 HydrophobicContact CB-CE2 3.44Å; L129-F264 VanDerWaalsContact CB-CE2 3.44Å; L129-F264 HydrophobicContact CB-CG 4.27Å; L129-F264 HydrophobicContact CB-CZ 4.15Å; L129-F264 HydrophobicContact CD1-CB 4.42Å; L129-F264 HydrophobicContact CD1-CD1 3.73Å; L129-F264 HydrophobicContact CD1-CD2 3.84Å; L129-F264 HydrophobicContact CD1-CE1 3.89Å; L129-F264 HydrophobicContact CD1-CE2 3.97Å; L129-F264 HydrophobicContact CD1-CG 3.7Å; L129-F264 HydrophobicContact CD1-CZ 4.01Å; L129-F264 HydrophobicContact CD2-CE1 4.41Å; L129-F264 HydrophobicContact CD2-CE2 4.04Å; L129-F264 HydrophobicContact CD2-CZ 3.9Å; L129-F264 HydrophobicContact CG-CD2 4.17Å; L129-F264 HydrophobicContact CG-CE2 4Å; L129-F264 HydrophobicContact CG-CZ 4.23Å |
| 130 | I | 88.5 | Confident | 84.8 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | -177.3 | -69.1 | 167.7 | 0 | 0 | 0 | 110.4 | R126 A128 G134 | R126-I130 HydrophobicContact CG-CD1 3.95Å; R126-I130 VanDerWaalsContact O-CG1 3.31Å; R126-I130 WeakPolarHBondContact O-CG1 3.49Å; R126-I130 PolarHBondContact O-N 2.85Å; R126-I130 VanDerWaalsContact O-N 3.09Å; A128-I130 PolarHBondContact O-N 3.49Å; I130-G134 PolarHBondContact O-N 2.95Å |
| 131 | R | 88.7 | Confident | 85.2 | Confident | 163 Ų | 163 | 74.8 Ų | 74.8 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.7 | -46.9 | 177.1 | -72.8 | -172.9 | -175.7 | 107 | -5.1 | 112.1 | K127 A128 L129 G134 R135 | K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 3.47Å; K127-R131 VanDerWaalsContact O-N 3.16Å; A128-R131 PolarHBondContact O-N 2.72Å; L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 PolarHBondContact O-N 3.08Å; R131-G134 PolarHBondContact O-N 3.24Å; R131-R135 WeakPolarHBondContact O-CB 3.22Å; R131-R135 PolarHBondContact O-N 2.99Å |
| 132 | S | 86.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 77.6 Ų | 77.6 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 176.3 | -72.5 | 0 | 0 | 0 | 0 | 111.5 | A128 L129 G134 R135 L136 D260 | A128-S132 WeakPolarHBondContact O-CB 3.17Å; A128-S132 PolarHBondContact O-N 3.42Å; A128-S132 PolarHBondContact O-OG 3.41Å; L129-S132 PolarHBondContact O-N 2.94Å; S132-G134 PolarHBondContact O-N 3.43Å; S132-R135 PolarHBondContact O-N 2.97Å; S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 3.37Å; S132-D260 WeakPolarHBondContact CB-O 3.36Å; S132-D260 PolarHBondContact OG-O 2.99Å |
| 133 | L | 87 | Confident | 86.3 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 39% | 0.387 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | -177.2 | 61.6 | 0 | 0 | 0 | 111.5 | L129 R135 L136 L137 | L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 PolarHBondContact O-N 3.28Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.33Å; L133-L136 PolarHBondContact O-N 3.22Å; L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 3.96Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.11Å |
| 134 | G | 88.6 | Confident | 86.6 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I130 R131 S132 R138 | I130-G134 PolarHBondContact O-N 2.95Å; R131-G134 PolarHBondContact O-N 3.24Å; S132-G134 PolarHBondContact O-N 3.43Å; G134-R138 WeakPolarHBondContact O-CB 3.48Å; G134-R138 WeakPolarHBondContact O-CG 3.36Å; G134-R138 VanDerWaalsContact O-CZ 3.23Å; G134-R138 PolarHBondContact O-N 3.29Å; G134-R138 PolarHBondContact O-NH1 3.18Å |
| 135 | R | 87.2 | Confident | 86.9 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 175.5 | -170.7 | -178.8 | -59.4 | 135.7 | -10.2 | 111.1 | R131 S132 L133 L137 R138 S139 D260 | R131-R135 WeakPolarHBondContact O-CB 3.22Å; R131-R135 PolarHBondContact O-N 2.99Å; S132-R135 PolarHBondContact O-N 2.97Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.33Å; R135-L137 PolarHBondContact O-N 3.06Å; R135-R138 PolarHBondContact O-N 3.49Å; R135-S139 WeakPolarHBondContact O-CB 3.21Å; R135-S139 PolarHBondContact O-N 2.87Å; R135-S139 PolarHBondContact O-OG 3.23Å; R135-D260 WeakPolarHBondContact CB-OD2 3.42Å; R135-D260 WeakPolarHBondContact CD-OD1 3.07Å; R135-D260 WeakPolarHBondContact CD-OD2 3.45Å; R135-D260 VanDerWaalsContact CG-OD2 3.28Å; R135-D260 WeakPolarHBondContact CG-OD2 3.32Å; R135-D260 IonicContact CZ-OD1 2.83Å; R135-D260 IonicContact NH1-OD1 3.94Å; R135-D260 PolarHBondContact NH1-OD1 3.32Å |
| 136 | L | 84.5 | Confident | 87.5 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.6 | -50.4 | 176 | -177 | 74.2 | 0 | 0 | 0 | 111.4 | S132 L133 R138 K140 V144 M184 L261 | S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 3.37Å; L133-L136 PolarHBondContact O-N 3.22Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 2.97Å; L136-K140 HydrophobicContact CD1-CB 4.06Å; L136-K140 HydrophobicContact CD1-CD 3.9Å; L136-K140 HydrophobicContact CD1-CG 4.09Å; L136-K140 CarbonylContact O-C 3.42Å; L136-K140 WeakPolarHBondContact O-CA 3.4Å; L136-K140 WeakPolarHBondContact O-CB 3.28Å; L136-K140 PolarHBondContact O-N 3.27Å; L136-V144 HydrophobicContact CG-CG2 4.45Å; L136-M184 HydrophobicContact CD2-CB 4.25Å; L136-M184 HydrophobicContact CD2-CG 4.37Å; L136-M184 HydrophobicContact CD2-SD 4.25Å; L136-L261 HydrophobicContact CD2-CD1 3.49Å; L136-L261 VanDerWaalsContact CD2-CD1 3.49Å; L136-L261 HydrophobicContact CD2-CG 4.09Å |
| 137 | L | 86 | Confident | 87.8 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 45% | 0.45 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.3 | -24.5 | -177.5 | -67.3 | 176.5 | 0 | 0 | 0 | 113.6 | L133 R135 V144 | L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 3.96Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.31Å; L133-L137 PolarHBondContact O-N 3.11Å; R135-L137 PolarHBondContact O-N 3.06Å; L137-V144 HydrophobicContact CD2-CG1 4.32Å; L137-V144 HydrophobicContact CD2-CG2 4.44Å |
| 138 | R | 88.6 | Confident | 88 | Confident | 193 Ų | 193 | 75.3 Ų | 75.3 | 73% | 0.728 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -87.3 | -46.9 | 175.6 | -72.9 | -169.4 | -59.2 | -86.3 | 0.4 | 112.9 | G134 R135 L136 | G134-R138 WeakPolarHBondContact O-CB 3.48Å; G134-R138 WeakPolarHBondContact O-CG 3.36Å; G134-R138 VanDerWaalsContact O-CZ 3.23Å; G134-R138 PolarHBondContact O-N 3.29Å; G134-R138 PolarHBondContact O-NH1 3.18Å; R135-R138 PolarHBondContact O-N 3.49Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 2.97Å |
| 139 | S | 87.1 | Confident | 88.5 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -84.3 | -29.5 | -173.1 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | R135 | R135-S139 WeakPolarHBondContact O-CB 3.21Å; R135-S139 PolarHBondContact O-N 2.87Å; R135-S139 PolarHBondContact O-OG 3.23Å |
| 140 | K | 85.1 | Confident | 88.9 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 23% | 0.226 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -119.1 | 27 | -175.4 | -50.6 | -151.4 | -173.5 | -176.5 | 0 | 113.1 | L136 S142 Q143 V144 E259 | L136-K140 HydrophobicContact CD1-CB 4.06Å; L136-K140 HydrophobicContact CD1-CD 3.9Å; L136-K140 HydrophobicContact CD1-CG 4.09Å; L136-K140 CarbonylContact O-C 3.42Å; L136-K140 WeakPolarHBondContact O-CA 3.4Å; L136-K140 WeakPolarHBondContact O-CB 3.28Å; L136-K140 PolarHBondContact O-N 3.27Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.85Å; K140-Q143 HydrophobicContact CB-CB 4.29Å; K140-Q143 WeakPolarHBondContact O-CB 3.46Å; K140-Q143 PolarHBondContact O-N 2.99Å; K140-V144 WeakPolarHBondContact O-CG2 3.4Å; K140-V144 PolarHBondContact O-N 2.88Å; K140-E259 IonicContact NZ-OE1 2.71Å; K140-E259 PolarHBondContact NZ-OE1 3.16Å; K140-E259 IonicContact NZ-OE2 3.73Å; K140-E259 PolarHBondContact NZ-OE2 3.37Å |
| 141 | K | 88.7 | Confident | 89.1 | Confident | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -49.5 | -48.5 | -178.5 | -174.5 | -174.3 | 173 | -170.9 | 0 | 112.5 | Q143 V144 E145 | K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 3.28Å; K141-V144 WeakPolarHBondContact O-CB 3.4Å; K141-V144 PolarHBondContact O-N 3.46Å; K141-E145 PolarHBondContact O-N 3.45Å |
| 142 | S | 91 | Very high | 89.4 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | K140 E145 T146 | K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.85Å; S142-E145 PolarHBondContact O-N 3.38Å; S142-T146 PolarHBondContact O-N 3.39Å; S142-T146 PolarHBondContact O-OG1 3.3Å |
| 143 | Q | 87.4 | Confident | 89.8 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 38% | 0.383 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.1 | -173 | -177.5 | 12 | 0 | 0 | 111 | K140 K141 E145 T146 M147 | K140-Q143 HydrophobicContact CB-CB 4.29Å; K140-Q143 WeakPolarHBondContact O-CB 3.46Å; K140-Q143 PolarHBondContact O-N 2.99Å; K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 3.28Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-E145 PolarHBondContact O-N 3.39Å; Q143-T146 PolarHBondContact O-N 3.49Å; Q143-M147 HydrophobicContact CG-CE 3.97Å; Q143-M147 WeakPolarHBondContact O-CG 3.31Å; Q143-M147 PolarHBondContact O-N 3.14Å |
| 144 | V | 88.5 | Confident | 90 | Very high | 18 Ų | 18 | 74 Ų | 74 | 11% | 0.109 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L136 L137 K140 K141 M147 I148 M184 | L136-V144 HydrophobicContact CG-CG2 4.45Å; L137-V144 HydrophobicContact CD2-CG1 4.32Å; L137-V144 HydrophobicContact CD2-CG2 4.44Å; K140-V144 WeakPolarHBondContact O-CG2 3.4Å; K140-V144 PolarHBondContact O-N 2.88Å; K141-V144 WeakPolarHBondContact O-CB 3.4Å; K141-V144 PolarHBondContact O-N 3.46Å; V144-M147 PolarHBondContact O-N 3.43Å; V144-I148 HydrophobicContact CG1-CD1 3.95Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.26Å; V144-I148 PolarHBondContact O-N 3.48Å; V144-M184 HydrophobicContact CB-CE 4.03Å; V144-M184 HydrophobicContact CG1-CE 3.75Å; V144-M184 HydrophobicContact CG2-CE 3.86Å; V144-M184 HydrophobicContact CG2-SD 4.29Å |
| 145 | E | 92.3 | Very high | 90.3 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.9 | -173.5 | 170.9 | 178.1 | 0 | 0 | 112.1 | K141 S142 Q143 M147 I148 L149 | K141-E145 PolarHBondContact O-N 3.45Å; S142-E145 PolarHBondContact O-N 3.38Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-E145 PolarHBondContact O-N 3.39Å; E145-M147 VanDerWaalsContact C-N 3.32Å; E145-M147 PolarHBondContact O-N 2.65Å; E145-I148 PolarHBondContact O-N 3.09Å; E145-L149 HydrophobicContact CG-CD1 4.27Å; E145-L149 WeakPolarHBondContact O-CG 3.49Å; E145-L149 PolarHBondContact O-N 2.98Å |
| 146 | T | 92.3 | Very high | 90.6 | Very high | 86 Ų | 86 | 74.6 Ų | 74.6 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | S142 Q143 L149 A150 | S142-T146 PolarHBondContact O-N 3.39Å; S142-T146 PolarHBondContact O-OG1 3.3Å; Q143-T146 PolarHBondContact O-N 3.49Å; T146-L149 PolarHBondContact O-N 3.42Å; T146-A150 WeakPolarHBondContact O-CB 3.48Å; T146-A150 PolarHBondContact O-N 2.95Å |
| 147 | M | 89 | Confident | 91 | Very high | 40 Ų | 40 | 79.8 Ų | 79.8 | 20% | 0.197 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.6 | -70.8 | 171.8 | 174.1 | 0 | 0 | 112 | Q143 V144 E145 A151 P183 M184 | Q143-M147 HydrophobicContact CG-CE 3.97Å; Q143-M147 WeakPolarHBondContact O-CG 3.31Å; Q143-M147 PolarHBondContact O-N 3.14Å; V144-M147 PolarHBondContact O-N 3.43Å; E145-M147 VanDerWaalsContact C-N 3.32Å; E145-M147 PolarHBondContact O-N 2.65Å; M147-A151 VanDerWaalsContact O-CB 3.3Å; M147-A151 WeakPolarHBondContact O-CB 3.25Å; M147-A151 PolarHBondContact O-N 2.97Å; M147-P183 HydrophobicContact CE-CB 3.96Å; M147-M184 HydrophobicContact CB-CE 4.13Å; M147-M184 HydrophobicContact CG-CE 4.49Å; M147-M184 HydrophobicContact SD-CE 3.52Å; M147-M184 VanDerWaalsContact SD-CE 3.52Å; M147-M184 HydrophobicContact SD-CG 3.67Å |
| 148 | I | 93 | Very high | 91.3 | Very high | 80 Ų | 80 | 77.1 Ų | 77.1 | 41% | 0.41 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 177.2 | -69 | 165.2 | 0 | 0 | 0 | 110.7 | V144 E145 A151 Q152 I180 | V144-I148 HydrophobicContact CG1-CD1 3.95Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.26Å; V144-I148 PolarHBondContact O-N 3.48Å; E145-I148 PolarHBondContact O-N 3.09Å; I148-A151 PolarHBondContact O-N 3.23Å; I148-Q152 WeakPolarHBondContact O-CB 3.5Å; I148-Q152 PolarHBondContact O-N 3.31Å; I148-I180 HydrophobicContact CG1-CD1 4.2Å; I148-I180 HydrophobicContact CG1-CG2 4.15Å |
| 149 | L | 95.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 179.4 | -68.9 | 172.1 | 0 | 0 | 0 | 111.6 | E145 T146 A151 Q152 D153 | E145-L149 HydrophobicContact CG-CD1 4.27Å; E145-L149 WeakPolarHBondContact O-CG 3.49Å; E145-L149 PolarHBondContact O-N 2.98Å; T146-L149 PolarHBondContact O-N 3.42Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.27Å; L149-Q152 WeakPolarHBondContact O-CB 3.43Å; L149-Q152 PolarHBondContact O-N 2.84Å; L149-D153 PolarHBondContact O-N 3.5Å |
| 150 | A | 92.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 74.2 Ų | 74.2 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T146 Q152 D153 S154 | T146-A150 WeakPolarHBondContact O-CB 3.48Å; T146-A150 PolarHBondContact O-N 2.95Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-D153 PolarHBondContact O-N 3.2Å; A150-S154 WeakPolarHBondContact O-CB 3.39Å; A150-S154 PolarHBondContact O-N 3.47Å |
| 151 | A | 92.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 78.2 Ų | 78.2 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M147 I148 L149 L155 T176 I180 | M147-A151 VanDerWaalsContact O-CB 3.3Å; M147-A151 WeakPolarHBondContact O-CB 3.25Å; M147-A151 PolarHBondContact O-N 2.97Å; I148-A151 PolarHBondContact O-N 3.23Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.27Å; A151-L155 WeakPolarHBondContact O-CB 3.19Å; A151-L155 PolarHBondContact O-N 2.89Å; A151-T176 HydrophobicContact CB-CG2 3.98Å; A151-I180 HydrophobicContact CB-CD1 3.87Å; A151-I180 HydrophobicContact CB-CG1 3.52Å |
| 152 | Q | 94.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 173.8 | -176 | -170.3 | 11.9 | 0 | 0 | 111.4 | I148 L149 A150 L155 K156 | I148-Q152 WeakPolarHBondContact O-CB 3.5Å; I148-Q152 PolarHBondContact O-N 3.31Å; L149-Q152 WeakPolarHBondContact O-CB 3.43Å; L149-Q152 PolarHBondContact O-N 2.84Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-L155 WeakPolarHBondContact O-CB 3.5Å; Q152-L155 PolarHBondContact O-N 3.42Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.18Å |
| 153 | D | 95 | Very high | 92.2 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | -179.7 | -70.3 | -23.3 | 0 | 0 | 0 | 111.6 | L149 A150 L155 K156 Q157 | L149-D153 PolarHBondContact O-N 3.5Å; A150-D153 PolarHBondContact O-N 3.2Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.44Å; D153-K156 PolarHBondContact O-N 3.26Å; D153-K156 IonicContact OD1-NZ 3.34Å; D153-K156 PolarHBondContact OD1-NZ 2.99Å; D153-Q157 WeakPolarHBondContact O-CB 3.4Å; D153-Q157 PolarHBondContact O-N 3.24Å |
| 154 | S | 91.6 | Very high | 92.4 | Very high | 49 Ų | 49 | 76.2 Ų | 76.2 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 171.2 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | A150 Q158 | A150-S154 WeakPolarHBondContact O-CB 3.39Å; A150-S154 PolarHBondContact O-N 3.47Å; S154-Q158 WeakPolarHBondContact O-CG 3.37Å; S154-Q158 PolarHBondContact O-N 3.4Å; S154-Q158 PolarHBondContact O-NE2 3.44Å; S154-Q158 PolarHBondContact OG-NE2 3.46Å |
| 155 | L | 93.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 78.6 Ų | 78.6 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 174.8 | 176.9 | 60.8 | 0 | 0 | 0 | 111.4 | A151 Q152 D153 Q157 Q158 L159 L172 T176 | A151-L155 WeakPolarHBondContact O-CB 3.19Å; A151-L155 PolarHBondContact O-N 2.89Å; Q152-L155 WeakPolarHBondContact O-CB 3.5Å; Q152-L155 PolarHBondContact O-N 3.42Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.44Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.31Å; L155-Q158 PolarHBondContact O-N 3.2Å; L155-L159 HydrophobicContact CD1-CD1 4.28Å; L155-L159 HydrophobicContact CD1-CG 4.31Å; L155-L159 HydrophobicContact CG-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 2.99Å; L155-L172 HydrophobicContact CD1-CB 3.9Å; L155-L172 HydrophobicContact CD1-CD1 4.32Å; L155-T176 HydrophobicContact CD2-CG2 4.46Å |
| 156 | K | 94.4 | Very high | 92.5 | Very high | 98 Ų | 98 | 82.3 Ų | 82.3 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 175.8 | -70.3 | 174.3 | -167.3 | 150.4 | 0 | 111.1 | Q152 D153 Q158 L159 L160 | Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.18Å; D153-K156 PolarHBondContact O-N 3.26Å; D153-K156 IonicContact OD1-NZ 3.34Å; D153-K156 PolarHBondContact OD1-NZ 2.99Å; K156-Q158 PolarHBondContact O-N 2.87Å; K156-L159 PolarHBondContact O-N 3.41Å; K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.21Å |
| 157 | Q | 93.9 | Very high | 92.2 | Very high | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 179 | -177.1 | 178 | -5.7 | 0 | 0 | 111.5 | D153 L155 L159 L160 E161 | D153-Q157 WeakPolarHBondContact O-CB 3.4Å; D153-Q157 PolarHBondContact O-N 3.24Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.31Å; Q157-L159 VanDerWaalsContact C-N 3.29Å; Q157-L159 PolarHBondContact O-N 3.12Å; Q157-L160 PolarHBondContact O-N 3.29Å; Q157-E161 HydrophobicContact CG-CG 4.35Å; Q157-E161 VanDerWaalsContact CG-OE1 3.29Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.35Å; Q157-E161 PolarHBondContact NE2-OE1 3.02Å; Q157-E161 WeakPolarHBondContact O-CB 3.27Å; Q157-E161 WeakPolarHBondContact O-CG 3.47Å; Q157-E161 PolarHBondContact O-N 3.29Å |
| 158 | Q | 90.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 82.1 Ų | 82.1 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.8 | -76 | 170.8 | 93.4 | 0 | 0 | 112.5 | S154 L155 K156 S162 L172 | S154-Q158 WeakPolarHBondContact O-CG 3.37Å; S154-Q158 PolarHBondContact O-N 3.4Å; S154-Q158 PolarHBondContact O-NE2 3.44Å; S154-Q158 PolarHBondContact OG-NE2 3.46Å; L155-Q158 PolarHBondContact O-N 3.2Å; K156-Q158 PolarHBondContact O-N 2.87Å; Q158-S162 WeakPolarHBondContact O-CB 2.98Å; Q158-S162 PolarHBondContact O-N 3.29Å; Q158-S162 PolarHBondContact O-OG 3.32Å; Q158-S162 VanDerWaalsContact O-OG 3.07Å; Q158-L172 HydrophobicContact CB-CD2 4.14Å |
| 159 | L | 93 | Very high | 92 | Very high | 88 Ų | 88 | 82.1 Ų | 82.1 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 176 | -73 | 169.6 | 0 | 0 | 0 | 111.7 | L155 K156 Q157 S162 E163 L172 | L155-L159 HydrophobicContact CD1-CD1 4.28Å; L155-L159 HydrophobicContact CD1-CG 4.31Å; L155-L159 HydrophobicContact CG-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 2.99Å; K156-L159 PolarHBondContact O-N 3.41Å; Q157-L159 VanDerWaalsContact C-N 3.29Å; Q157-L159 PolarHBondContact O-N 3.12Å; L159-S162 WeakPolarHBondContact CA-OG 3.22Å; L159-S162 CarbonylContact O-C 3.58Å; L159-S162 PolarHBondContact O-N 2.94Å; L159-S162 PolarHBondContact O-OG 3.23Å; L159-E163 PolarHBondContact O-N 2.89Å; L159-L172 HydrophobicContact CD2-CD1 3.6Å; L159-L172 HydrophobicContact CG-CD1 4.31Å |
| 160 | L | 94.2 | Very high | 91.6 | Very high | 121 Ų | 121 | 83.1 Ų | 83.1 | 63% | 0.634 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 175.7 | -68.8 | 170.4 | 0 | 0 | 0 | 112 | K156 Q157 S162 E163 | K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.21Å; Q157-L160 PolarHBondContact O-N 3.29Å; L160-S162 PolarHBondContact O-N 2.9Å; L160-E163 WeakPolarHBondContact O-CB 3.42Å; L160-E163 PolarHBondContact O-N 2.97Å; L160-E163 VanDerWaalsContact O-N 3.11Å |
| 161 | E | 92 | Very high | 91.3 | Very high | 137 Ų | 137 | 84.9 Ų | 84.9 | 64% | 0.64 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.6 | -27.9 | 176.3 | -72.7 | 171.3 | -179.4 | 0 | 0 | 112.3 | Q157 | Q157-E161 HydrophobicContact CG-CG 4.35Å; Q157-E161 VanDerWaalsContact CG-OE1 3.29Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.35Å; Q157-E161 PolarHBondContact NE2-OE1 3.02Å; Q157-E161 WeakPolarHBondContact O-CB 3.27Å; Q157-E161 WeakPolarHBondContact O-CG 3.47Å; Q157-E161 PolarHBondContact O-N 3.29Å |
| 162 | S | 90.3 | Very high | 91.2 | Very high | 21 Ų | 21 | 85.5 Ų | 85.5 | 15% | 0.147 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.7 | 177.2 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | Q158 L159 L160 G164 S165 T167 | Q158-S162 WeakPolarHBondContact O-CB 2.98Å; Q158-S162 PolarHBondContact O-N 3.29Å; Q158-S162 PolarHBondContact O-OG 3.32Å; Q158-S162 VanDerWaalsContact O-OG 3.07Å; L159-S162 WeakPolarHBondContact CA-OG 3.22Å; L159-S162 CarbonylContact O-C 3.58Å; L159-S162 PolarHBondContact O-N 2.94Å; L159-S162 PolarHBondContact O-OG 3.23Å; L160-S162 PolarHBondContact O-N 2.9Å; S162-G164 PolarHBondContact O-N 3.29Å; S162-S165 WeakPolarHBondContact CA-OG 3.12Å; S162-S165 WeakPolarHBondContact CB-OG 3.08Å; S162-S165 WeakPolarHBondContact O-CA 3.32Å; S162-S165 WeakPolarHBondContact O-CB 2.86Å; S162-S165 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact O-OG 3Å; S162-T167 VanDerWaalsContact CB-OG1 3.26Å; S162-T167 WeakPolarHBondContact CB-OG1 3.4Å; S162-T167 PolarHBondContact OG-OG1 3.44Å |
| 163 | E | 90.9 | Very high | 91 | Very high | 159 Ų | 159 | 85.5 Ų | 85.5 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 128.7 | -178.6 | -172.2 | 173.6 | -168.8 | 0 | 0 | 110.9 | L159 L160 S165 | L159-E163 PolarHBondContact O-N 2.89Å; L160-E163 WeakPolarHBondContact O-CB 3.42Å; L160-E163 PolarHBondContact O-N 2.97Å; L160-E163 VanDerWaalsContact O-N 3.11Å; E163-S165 VanDerWaalsContact C-N 3.26Å; E163-S165 PolarHBondContact O-N 3.17Å |
| 164 | G | 91.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 84.1 Ų | 84.1 | 94% | 0.938 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S162 | S162-G164 PolarHBondContact O-N 3.29Š|
| 165 | S | 92.1 | Very high | 90.6 | Very high | 68 Ų | 68 | 84.8 Ų | 84.8 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -103.1 | 150.5 | 174.8 | 76.3 | 0 | 0 | 0 | 0 | 112.3 | S162 E163 T167 | S162-S165 WeakPolarHBondContact CA-OG 3.12Å; S162-S165 WeakPolarHBondContact CB-OG 3.08Å; S162-S165 WeakPolarHBondContact O-CA 3.32Å; S162-S165 WeakPolarHBondContact O-CB 2.86Å; S162-S165 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact O-OG 3Å; E163-S165 VanDerWaalsContact C-N 3.26Å; E163-S165 PolarHBondContact O-N 3.17Å; S165-T167 PolarHBondContact O-N 2.72Å |
| 166 | I | 89.9 | Confident | 90.4 | Very high | 181 Ų | 181 | 83.7 Ų | 83.7 | 93% | 0.928 | 45% | 0.451 | S | S | * | . | trans | -75.6 | 113.8 | 173.6 | -61.1 | 174.3 | 0 | 0 | 0 | 108.1 | ||||
| 167 | T | 87.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 82.8 Ų | 82.8 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | trans | -115.1 | 142.6 | 179.1 | -58 | 0 | 0 | 0 | 0 | 111.3 | S162 S165 P169 L172 | S162-T167 VanDerWaalsContact CB-OG1 3.26Å; S162-T167 WeakPolarHBondContact CB-OG1 3.4Å; S162-T167 PolarHBondContact OG-OG1 3.44Å; S165-T167 PolarHBondContact O-N 2.72Å; T167-P169 VanDerWaalsContact O-CD 3.26Å; T167-P169 WeakPolarHBondContact O-CD 3.41Å; T167-L172 HydrophobicContact CG2-CD1 3.54Å; T167-L172 HydrophobicContact CG2-CD2 4.35Å; T167-L172 HydrophobicContact CG2-CG 3.84Å | ||
| 168 | D | 87.9 | Confident | 90 | Very high | 69 Ų | 69 | 78.5 Ų | 78.5 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | trans | -83.4 | 106.9 | 174.6 | -175.5 | -8.5 | 0 | 0 | 0 | 110.1 | D170 K171 L172 | D168-D170 PolarHBondContact O-N 3.31Å; D168-D170 WeakPolarHBondContact OD1-CB 3.27Å; D168-D170 PolarHBondContact OD1-N 2.96Å; D168-D170 VanDerWaalsContact OD1-N 3.1Å; D168-K171 HydrophobicContact CB-CB 4.35Å; D168-K171 HydrophobicContact CB-CD 4.12Å; D168-K171 HydrophobicContact CB-CG 4.21Å; D168-K171 PolarHBondContact O-N 2.97Å; D168-L172 PolarHBondContact O-N 2.97Å | ||
| 169 | P | 89.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -28.9 | -177.1 | 27.3 | -34.9 | 0 | 0 | 0 | 112.4 | T167 K171 L172 I173 | T167-P169 VanDerWaalsContact O-CD 3.26Å; T167-P169 WeakPolarHBondContact O-CD 3.41Å; P169-K171 VanDerWaalsContact C-N 3.32Å; P169-K171 PolarHBondContact O-N 3.38Å; P169-L172 PolarHBondContact O-N 3.34Å; P169-I173 WeakPolarHBondContact O-CB 3.09Å; P169-I173 WeakPolarHBondContact O-CD1 3.34Å; P169-I173 VanDerWaalsContact O-CG1 3.25Å; P169-I173 WeakPolarHBondContact O-CG1 3.5Å; P169-I173 PolarHBondContact O-N 3.4Å |
| 170 | D | 87.1 | Confident | 89.6 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 179.3 | -76.7 | -19 | 0 | 0 | 0 | 110 | D168 I173 H174 | D168-D170 PolarHBondContact O-N 3.31Å; D168-D170 WeakPolarHBondContact OD1-CB 3.27Å; D168-D170 PolarHBondContact OD1-N 2.96Å; D168-D170 VanDerWaalsContact OD1-N 3.1Å; D170-I173 PolarHBondContact O-N 3.48Å; D170-H174 PolarHBondContact O-N 3.07Å; D170-H174 PolarHBondContact O-ND1 3.3Å |
| 171 | K | 86 | Confident | 89.3 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.1 | -72 | -177.9 | -179.3 | -179.6 | 0 | 112.3 | D168 P169 H174 K175 E205 | D168-K171 HydrophobicContact CB-CB 4.35Å; D168-K171 HydrophobicContact CB-CD 4.12Å; D168-K171 HydrophobicContact CB-CG 4.21Å; D168-K171 PolarHBondContact O-N 2.97Å; P169-K171 VanDerWaalsContact C-N 3.32Å; P169-K171 PolarHBondContact O-N 3.38Å; K171-H174 PolarHBondContact O-N 2.67Å; K171-K175 VanDerWaalsContact O-CB 3.31Å; K171-K175 WeakPolarHBondContact O-CB 3.48Å; K171-K175 PolarHBondContact O-N 2.98Å; K171-E205 WeakPolarHBondContact CE-OE1 3.28Å |
| 172 | L | 88.9 | Confident | 88.9 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.1 | -70.6 | -178.1 | 0 | 0 | 0 | 111.2 | L155 Q158 L159 T167 D168 P169 K175 T176 | L155-L172 HydrophobicContact CD1-CB 3.9Å; L155-L172 HydrophobicContact CD1-CD1 4.32Å; Q158-L172 HydrophobicContact CB-CD2 4.14Å; L159-L172 HydrophobicContact CD2-CD1 3.6Å; L159-L172 HydrophobicContact CG-CD1 4.31Å; T167-L172 HydrophobicContact CG2-CD1 3.54Å; T167-L172 HydrophobicContact CG2-CD2 4.35Å; T167-L172 HydrophobicContact CG2-CG 3.84Å; D168-L172 PolarHBondContact O-N 2.97Å; P169-L172 PolarHBondContact O-N 3.34Å; L172-K175 PolarHBondContact O-N 3.38Å; L172-T176 PolarHBondContact O-N 2.97Å; L172-T176 PolarHBondContact O-OG1 3.43Å; L172-T176 VanDerWaalsContact O-OG1 3.08Å |
| 173 | I | 91 | Very high | 88.4 | Confident | 88 Ų | 88 | 68.5 Ų | 68.5 | 45% | 0.451 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 179.5 | -69 | 165.4 | 0 | 0 | 0 | 110.9 | P169 D170 K175 T176 I177 | P169-I173 WeakPolarHBondContact O-CB 3.09Å; P169-I173 WeakPolarHBondContact O-CD1 3.34Å; P169-I173 VanDerWaalsContact O-CG1 3.25Å; P169-I173 WeakPolarHBondContact O-CG1 3.5Å; P169-I173 PolarHBondContact O-N 3.4Å; D170-I173 PolarHBondContact O-N 3.48Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.45Å; I173-T176 PolarHBondContact O-N 3.47Å; I173-I177 HydrophobicContact CG2-CD1 3.75Å; I173-I177 HydrophobicContact CG2-CG1 4.46Å; I173-I177 WeakPolarHBondContact O-CG1 3.32Å; I173-I177 PolarHBondContact O-N 3.14Å |
| 174 | H | 88.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 179.1 | -74.7 | 88.6 | 0 | 0 | 0 | 111.7 | D170 K171 I177 I178 L201 T204 | D170-H174 PolarHBondContact O-N 3.07Å; D170-H174 PolarHBondContact O-ND1 3.3Å; K171-H174 PolarHBondContact O-N 2.67Å; H174-I177 PolarHBondContact O-N 2.89Å; H174-I178 VanDerWaalsContact O-CG1 3.28Å; H174-I178 WeakPolarHBondContact O-CG1 3.05Å; H174-I178 PolarHBondContact O-N 3.27Å; H174-L201 HydrophobicContact CB-CD1 3.39Å; H174-T204 PolarHBondContact CD2-OG1 3.13Å |
| 175 | K | 88.8 | Confident | 87.2 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 27% | 0.274 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174.8 | 176.9 | 168.9 | -178.7 | -170.8 | 0 | 111.8 | K171 L172 I173 I177 I178 S179 F197 | K171-K175 VanDerWaalsContact O-CB 3.31Å; K171-K175 WeakPolarHBondContact O-CB 3.48Å; K171-K175 PolarHBondContact O-N 2.98Å; L172-K175 PolarHBondContact O-N 3.38Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.45Å; K175-I177 PolarHBondContact O-N 2.95Å; K175-I178 PolarHBondContact O-N 3.41Å; K175-S179 WeakPolarHBondContact O-CB 3.22Å; K175-S179 PolarHBondContact O-N 2.85Å; K175-S179 PolarHBondContact O-OG 3.26Å; K175-F197 HydrophobicContact CB-CE1 4.28Å; K175-F197 HydrophobicContact CB-CZ 4.42Å; K175-F197 HydrophobicContact CD-CE1 4.42Å; K175-F197 HydrophobicContact CG-CE1 3.76Å; K175-F197 HydrophobicContact CG-CZ 3.84Å; K175-F197 WeakPolarHBondContact O-CZ 3.39Å |
| 176 | T | 91.3 | Very high | 86.5 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | A151 L155 L172 I173 S179 I180 | A151-T176 HydrophobicContact CB-CG2 3.98Å; L155-T176 HydrophobicContact CD2-CG2 4.46Å; L172-T176 PolarHBondContact O-N 2.97Å; L172-T176 PolarHBondContact O-OG1 3.43Å; L172-T176 VanDerWaalsContact O-OG1 3.08Å; I173-T176 PolarHBondContact O-N 3.47Å; T176-S179 PolarHBondContact O-N 3.47Å; T176-I180 HydrophobicContact CG2-CD1 4.38Å; T176-I180 WeakPolarHBondContact O-CG1 3.47Å; T176-I180 PolarHBondContact O-N 3.04Å |
| 177 | I | 91.2 | Very high | 85.9 | Confident | 80 Ų | 80 | 47 Ų | 47 | 41% | 0.41 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 179.7 | -67.8 | 168 | 0 | 0 | 0 | 111.5 | I173 H174 K175 S179 I180 I181 | I173-I177 HydrophobicContact CG2-CD1 3.75Å; I173-I177 HydrophobicContact CG2-CG1 4.46Å; I173-I177 WeakPolarHBondContact O-CG1 3.32Å; I173-I177 PolarHBondContact O-N 3.14Å; H174-I177 PolarHBondContact O-N 2.89Å; K175-I177 PolarHBondContact O-N 2.95Å; I177-S179 VanDerWaalsContact C-N 3.27Å; I177-S179 PolarHBondContact O-N 3.28Å; I177-I180 PolarHBondContact O-N 3.48Å; I177-I180 VanDerWaalsContact O-N 3.12Å; I177-I181 HydrophobicContact CG2-CD1 3.65Å; I177-I181 HydrophobicContact CG2-CG1 4.35Å; I177-I181 PolarHBondContact O-N 3.14Å |
| 178 | I | 88.4 | Confident | 85.1 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 179.3 | -64 | 168.3 | 0 | 0 | 0 | 110.6 | H174 K175 I180 G182 L190 F197 L200 L201 | H174-I178 VanDerWaalsContact O-CG1 3.28Å; H174-I178 WeakPolarHBondContact O-CG1 3.05Å; H174-I178 PolarHBondContact O-N 3.27Å; K175-I178 PolarHBondContact O-N 3.41Å; I178-I180 PolarHBondContact O-N 3.25Å; I178-G182 VanDerWaalsContact O-CA 3.26Å; I178-G182 WeakPolarHBondContact O-CA 3.47Å; I178-G182 PolarHBondContact O-N 3.04Å; I178-L190 HydrophobicContact CG2-CD2 4.02Å; I178-F197 HydrophobicContact CB-CE2 3.9Å; I178-F197 HydrophobicContact CB-CZ 3.83Å; I178-F197 HydrophobicContact CG2-CD2 3.8Å; I178-F197 HydrophobicContact CG2-CE2 3.39Å; I178-F197 HydrophobicContact CG2-CZ 3.79Å; I178-L200 HydrophobicContact CD1-CB 4.26Å; I178-L200 HydrophobicContact CG2-CD1 4.31Å; I178-L201 HydrophobicContact CD1-CB 4.26Å; I178-L201 HydrophobicContact CD1-CD1 4.22Å |
| 179 | S | 87.7 | Confident | 84 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -23.7 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | K175 T176 I177 P183 | K175-S179 WeakPolarHBondContact O-CB 3.22Å; K175-S179 PolarHBondContact O-N 2.85Å; K175-S179 PolarHBondContact O-OG 3.26Å; T176-S179 PolarHBondContact O-N 3.47Å; I177-S179 VanDerWaalsContact C-N 3.27Å; I177-S179 PolarHBondContact O-N 3.28Å; S179-P183 VanDerWaalsContact O-CD 3.27Å; S179-P183 WeakPolarHBondContact O-CD 3.23Å; S179-P183 WeakPolarHBondContact O-CG 3.26Å |
| 180 | I | 88.3 | Confident | 83.2 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -88.3 | -55.3 | 175.6 | -61.6 | 164.2 | 0 | 0 | 0 | 110 | I148 A151 T176 I177 I178 M184 | I148-I180 HydrophobicContact CG1-CD1 4.2Å; I148-I180 HydrophobicContact CG1-CG2 4.15Å; A151-I180 HydrophobicContact CB-CD1 3.87Å; A151-I180 HydrophobicContact CB-CG1 3.52Å; T176-I180 HydrophobicContact CG2-CD1 4.38Å; T176-I180 WeakPolarHBondContact O-CG1 3.47Å; T176-I180 PolarHBondContact O-N 3.04Å; I177-I180 PolarHBondContact O-N 3.48Å; I177-I180 VanDerWaalsContact O-N 3.12Å; I178-I180 PolarHBondContact O-N 3.25Å; I180-M184 HydrophobicContact CG2-CE 3.39Å; I180-M184 HydrophobicContact CG2-SD 4.31Å; I180-M184 WeakPolarHBondContact O-CE 3.44Å; I180-M184 VanDerWaalsContact O-CG 3.31Å; I180-M184 WeakPolarHBondContact O-CG 3.41Å |
| 181 | I | 86.1 | Confident | 82.4 | Confident | 85 Ų | 85 | 45 Ų | 45 | 44% | 0.436 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76.3 | -33.4 | -171.5 | -61.5 | 176.7 | 0 | 0 | 0 | 111.7 | I177 M184 T185 | I177-I181 HydrophobicContact CG2-CD1 3.65Å; I177-I181 HydrophobicContact CG2-CG1 4.35Å; I177-I181 PolarHBondContact O-N 3.14Å; I181-M184 WeakPolarHBondContact O-CB 3.17Å; I181-M184 PolarHBondContact O-N 3.29Å; I181-T185 HydrophobicContact CG2-CG2 3.8Å; I181-T185 WeakPolarHBondContact O-CB 3.3Å; I181-T185 WeakPolarHBondContact O-CG2 3.28Å; I181-T185 PolarHBondContact O-N 2.76Å; I181-T185 PolarHBondContact O-OG1 3.11Å |
| 182 | G | 83.4 | Confident | 81.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.1 | -58 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I178 M184 T185 L186 | I178-G182 VanDerWaalsContact O-CA 3.26Å; I178-G182 WeakPolarHBondContact O-CA 3.47Å; I178-G182 PolarHBondContact O-N 3.04Å; G182-M184 VanDerWaalsContact C-N 3.27Å; G182-M184 PolarHBondContact O-N 3.44Å; G182-T185 PolarHBondContact O-N 3.39Å; G182-T185 PolarHBondContact O-OG1 2.95Å; G182-T185 VanDerWaalsContact O-OG1 3.05Å; G182-L186 WeakPolarHBondContact O-CB 3.07Å; G182-L186 PolarHBondContact O-N 3.27Å |
| 183 | P | 80.1 | Confident | 80.3 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -33.5 | 175.5 | -26.9 | 36.7 | 0 | 0 | 0 | 114.2 | M147 S179 T185 G187 | M147-P183 HydrophobicContact CE-CB 3.96Å; S179-P183 VanDerWaalsContact O-CD 3.27Å; S179-P183 WeakPolarHBondContact O-CD 3.23Å; S179-P183 WeakPolarHBondContact O-CG 3.26Å; P183-T185 VanDerWaalsContact C-N 3.26Å; P183-T185 PolarHBondContact O-N 3.08Å; P183-G187 WeakPolarHBondContact CA-O 3.23Å; P183-G187 WeakPolarHBondContact O-CA 3.33Å; P183-G187 PolarHBondContact O-N 3.43Å |
| 184 | M | 80 | Confident | 79.6 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -28.1 | 176.2 | -65.7 | 177.1 | -165.9 | 0 | 0 | 113 | L136 V144 M147 I180 I181 G182 L261 | L136-M184 HydrophobicContact CD2-CB 4.25Å; L136-M184 HydrophobicContact CD2-CG 4.37Å; L136-M184 HydrophobicContact CD2-SD 4.25Å; V144-M184 HydrophobicContact CB-CE 4.03Å; V144-M184 HydrophobicContact CG1-CE 3.75Å; V144-M184 HydrophobicContact CG2-CE 3.86Å; V144-M184 HydrophobicContact CG2-SD 4.29Å; M147-M184 HydrophobicContact CB-CE 4.13Å; M147-M184 HydrophobicContact CG-CE 4.49Å; M147-M184 HydrophobicContact SD-CE 3.52Å; M147-M184 VanDerWaalsContact SD-CE 3.52Å; M147-M184 HydrophobicContact SD-CG 3.67Å; I180-M184 HydrophobicContact CG2-CE 3.39Å; I180-M184 HydrophobicContact CG2-SD 4.31Å; I180-M184 WeakPolarHBondContact O-CE 3.44Å; I180-M184 VanDerWaalsContact O-CG 3.31Å; I180-M184 WeakPolarHBondContact O-CG 3.41Å; I181-M184 WeakPolarHBondContact O-CB 3.17Å; I181-M184 PolarHBondContact O-N 3.29Å; G182-M184 VanDerWaalsContact C-N 3.27Å; G182-M184 PolarHBondContact O-N 3.44Å; M184-L261 HydrophobicContact CB-CD1 4.09Å; M184-L261 WeakPolarHBondContact O-CB 3.42Å |
| 185 | T | 78 | Confident | 79.2 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -104.7 | -36 | -172 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | I181 G182 P183 L261 Q262 Y265 | I181-T185 HydrophobicContact CG2-CG2 3.8Å; I181-T185 WeakPolarHBondContact O-CB 3.3Å; I181-T185 WeakPolarHBondContact O-CG2 3.28Å; I181-T185 PolarHBondContact O-N 2.76Å; I181-T185 PolarHBondContact O-OG1 3.11Å; G182-T185 PolarHBondContact O-N 3.39Å; G182-T185 PolarHBondContact O-OG1 2.95Å; G182-T185 VanDerWaalsContact O-OG1 3.05Å; P183-T185 VanDerWaalsContact C-N 3.26Å; P183-T185 PolarHBondContact O-N 3.08Å; T185-L261 HydrophobicContact CG2-CB 4.36Å; T185-L261 HydrophobicContact CG2-CD1 3.93Å; T185-Q262 WeakPolarHBondContact O-CG 3.19Å; T185-Y265 HydrophobicContact CG2-CE2 3.68Å |
| 186 | L | 77.2 | Confident | 79 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -115.8 | 0.6 | -174.7 | -55 | 175.8 | 0 | 0 | 0 | 112.3 | G182 L190 L200 F244 M245 T248 H252 | G182-L186 WeakPolarHBondContact O-CB 3.07Å; G182-L186 PolarHBondContact O-N 3.27Å; L186-L190 HydrophobicContact CB-CB 4.41Å; L186-L190 HydrophobicContact CD1-CD2 4.38Å; L186-L200 HydrophobicContact CD1-CD1 4.27Å; L186-F244 HydrophobicContact CD1-CD1 4.35Å; L186-F244 HydrophobicContact CD1-CE1 3.87Å; L186-M245 HydrophobicContact CD2-CG 3.93Å; L186-T248 HydrophobicContact CB-CG2 4.15Å; L186-T248 HydrophobicContact CD2-CG2 4.4Å; L186-T248 WeakPolarHBondContact O-CG2 3.28Å; L186-H252 PolarHBondContact O-NE2 3.09Å |
| 187 | G | 76.5 | Confident | 78.6 | Confident | 9 Ų | 9 | 51 Ų | 51 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | 69.4 | -161.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P183 E189 | P183-G187 WeakPolarHBondContact CA-O 3.23Å; P183-G187 WeakPolarHBondContact O-CA 3.33Å; P183-G187 PolarHBondContact O-N 3.43Å; G187-E189 PolarHBondContact O-N 2.96Å; G187-E189 VanDerWaalsContact O-N 3.1Å |
| 188 | S | 69.8 | Low | 78.2 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 85% | 0.853 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -68 | -4.7 | -180 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | L190 | S188-L190 PolarHBondContact O-N 3.32Š|
| 189 | E | 66.2 | Low | 78 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -73.4 | -14.6 | -179.5 | -60.5 | -170.4 | 172.7 | 0 | 0 | 113.3 | G187 F244 T248 N251 | G187-E189 PolarHBondContact O-N 2.96Å; G187-E189 VanDerWaalsContact O-N 3.1Å; E189-F244 HydrophobicContact CB-CZ 4.28Å; E189-T248 WeakPolarHBondContact OE2-CA 3.37Å; E189-T248 WeakPolarHBondContact OE2-CB 3.47Å; E189-T248 VanDerWaalsContact OE2-CG2 3.23Å; E189-T248 WeakPolarHBondContact OE2-CG2 3.23Å; E189-T248 PolarHBondContact OE2-OG1 3.17Å; E189-N251 WeakPolarHBondContact OE1-CB 3.29Å; E189-N251 PolarHBondContact OE1-ND2 3.21Å |
| 190 | L | 71.8 | Confident | 77.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | trans | -99.8 | 99.5 | 174 | -169.4 | 76.5 | 0 | 0 | 0 | 110.6 | I178 L186 S188 M196 F197 L200 F244 | I178-L190 HydrophobicContact CG2-CD2 4.02Å; L186-L190 HydrophobicContact CB-CB 4.41Å; L186-L190 HydrophobicContact CD1-CD2 4.38Å; S188-L190 PolarHBondContact O-N 3.32Å; L190-M196 HydrophobicContact CD1-CB 4.14Å; L190-M196 HydrophobicContact CD1-CG 3.86Å; L190-F197 HydrophobicContact CD1-CB 4.37Å; L190-F197 HydrophobicContact CD2-CD2 4.09Å; L190-F197 HydrophobicContact CG-CD2 4.21Å; L190-L200 HydrophobicContact CD1-CD1 3.66Å; L190-L200 HydrophobicContact CD2-CD1 3.77Å; L190-L200 HydrophobicContact CG-CD1 4.39Å; L190-F244 HydrophobicContact CD1-CE1 4.33Å; L190-F244 HydrophobicContact CD1-CZ 4.42Å | ||
| 191 | N | 71.4 | Confident | 77.6 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | trans | -91.1 | 143.7 | 169.5 | -162.6 | -51.7 | 0 | 0 | 0 | 110.6 | K193 D194 F197 | N191-K193 PolarHBondContact O-N 2.84Å; N191-K193 VanDerWaalsContact O-N 3.11Å; N191-K193 PolarHBondContact OD1-N 3.45Å; N191-D194 WeakPolarHBondContact CA-OD2 3.4Å; N191-D194 HydrophobicContact CB-CB 4.42Å; N191-D194 VanDerWaalsContact CB-CG 3.45Å; N191-D194 WeakPolarHBondContact CB-OD2 3.46Å; N191-D194 PolarHBondContact N-OD2 2.85Å; N191-D194 WeakPolarHBondContact O-CB 3.36Å; N191-D194 PolarHBondContact O-N 2.87Å; N191-F197 WeakPolarHBondContact O-CB 3.42Å | ||
| 192 | C | 63.9 | Low | 77.4 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 46% | 0.459 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.1 | 174.9 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | F197 | C192-F197 HydrophobicContact CB-CD2 4.3Å; C192-F197 HydrophobicContact CB-CE2 4.25Å |
| 193 | K | 66.7 | Low | 77.3 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 81% | 0.813 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.6 | 173.2 | -62 | -176.1 | 180 | -178.7 | 0 | 113.6 | N191 | N191-K193 PolarHBondContact O-N 2.84Å; N191-K193 VanDerWaalsContact O-N 3.11Å; N191-K193 PolarHBondContact OD1-N 3.45Å |
| 194 | D | 76.6 | Confident | 77.4 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -81.6 | 144.6 | -175.4 | -65.7 | -24.7 | 0 | 0 | 0 | 111.4 | N191 M196 F197 D198 | N191-D194 WeakPolarHBondContact CA-OD2 3.4Å; N191-D194 HydrophobicContact CB-CB 4.42Å; N191-D194 VanDerWaalsContact CB-CG 3.45Å; N191-D194 WeakPolarHBondContact CB-OD2 3.46Å; N191-D194 PolarHBondContact N-OD2 2.85Å; N191-D194 WeakPolarHBondContact O-CB 3.36Å; N191-D194 PolarHBondContact O-N 2.87Å; D194-M196 PolarHBondContact O-N 3.24Å; D194-F197 VanDerWaalsContact O-CB 3.31Å; D194-F197 WeakPolarHBondContact O-CB 3.22Å; D194-F197 PolarHBondContact O-N 3.15Å; D194-D198 PolarHBondContact O-N 3.1Å |
| 195 | L | 80.7 | Confident | 77.4 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -52.8 | -29.3 | 172.2 | -175.3 | 68 | 0 | 0 | 0 | 112.3 | D198 Q199 | L195-D198 PolarHBondContact O-N 3.31Å; L195-Q199 VanDerWaalsContact O-CG 3.28Å; L195-Q199 WeakPolarHBondContact O-CG 3.41Å; L195-Q199 PolarHBondContact O-N 3.3Å |
| 196 | M | 82.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 176.7 | -173.9 | 54.8 | 51.7 | 0 | 0 | 112.5 | L190 D194 Q199 L200 I241 F244 | L190-M196 HydrophobicContact CD1-CB 4.14Å; L190-M196 HydrophobicContact CD1-CG 3.86Å; D194-M196 PolarHBondContact O-N 3.24Å; M196-Q199 WeakPolarHBondContact O-CB 3.36Å; M196-Q199 PolarHBondContact O-N 3.3Å; M196-Q199 HydrophobicContact SD-CB 4.35Å; M196-L200 WeakPolarHBondContact O-CG 2.95Å; M196-L200 PolarHBondContact O-N 3.23Å; M196-I241 HydrophobicContact SD-CG1 4.2Å; M196-F244 HydrophobicContact CB-CD2 4.37Å; M196-F244 HydrophobicContact CB-CE2 4.25Å; M196-F244 HydrophobicContact CB-CZ 4.41Å; M196-F244 HydrophobicContact CE-CB 3.38Å; M196-F244 HydrophobicContact CE-CD1 4.37Å; M196-F244 HydrophobicContact CE-CD2 3.77Å; M196-F244 HydrophobicContact CE-CG 3.58Å; M196-F244 HydrophobicContact CG-CB 4.38Å; M196-F244 HydrophobicContact CG-CD1 3.56Å; M196-F244 HydrophobicContact CG-CD2 3.84Å; M196-F244 HydrophobicContact CG-CE1 3.67Å; M196-F244 HydrophobicContact CG-CE2 3.93Å; M196-F244 HydrophobicContact CG-CG 3.64Å; M196-F244 HydrophobicContact CG-CZ 3.85Å; M196-F244 HydrophobicContact SD-CB 3.79Å; M196-F244 HydrophobicContact SD-CD1 3.9Å; M196-F244 HydrophobicContact SD-CD2 4.3Å; M196-F244 HydrophobicContact SD-CG 3.72Å |
| 197 | F | 83.6 | Confident | 77.7 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.9 | -170.6 | -78.6 | 0 | 0 | 0 | 110.7 | K175 I178 L190 N191 C192 D194 Q199 L200 L201 | K175-F197 HydrophobicContact CB-CE1 4.28Å; K175-F197 HydrophobicContact CB-CZ 4.42Å; K175-F197 HydrophobicContact CD-CE1 4.42Å; K175-F197 HydrophobicContact CG-CE1 3.76Å; K175-F197 HydrophobicContact CG-CZ 3.84Å; K175-F197 WeakPolarHBondContact O-CZ 3.39Å; I178-F197 HydrophobicContact CB-CE2 3.9Å; I178-F197 HydrophobicContact CB-CZ 3.83Å; I178-F197 HydrophobicContact CG2-CD2 3.8Å; I178-F197 HydrophobicContact CG2-CE2 3.39Å; I178-F197 HydrophobicContact CG2-CZ 3.79Å; L190-F197 HydrophobicContact CD1-CB 4.37Å; L190-F197 HydrophobicContact CD2-CD2 4.09Å; L190-F197 HydrophobicContact CG-CD2 4.21Å; N191-F197 WeakPolarHBondContact O-CB 3.42Å; C192-F197 HydrophobicContact CB-CD2 4.3Å; C192-F197 HydrophobicContact CB-CE2 4.25Å; D194-F197 VanDerWaalsContact O-CB 3.31Å; D194-F197 WeakPolarHBondContact O-CB 3.22Å; D194-F197 PolarHBondContact O-N 3.15Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 2.78Å; F197-L200 PolarHBondContact O-N 3.28Å; F197-L201 PolarHBondContact O-N 3.44Å |
| 198 | D | 83.1 | Confident | 77.8 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 174.3 | -70.7 | -28.6 | 0 | 0 | 0 | 112 | D194 L195 L201 N202 | D194-D198 PolarHBondContact O-N 3.1Å; L195-D198 PolarHBondContact O-N 3.31Å; D198-L201 PolarHBondContact O-N 2.88Å; D198-N202 WeakPolarHBondContact O-CB 3.09Å; D198-N202 VanDerWaalsContact O-CG 3.26Å; D198-N202 PolarHBondContact O-N 3.29Å; D198-N202 PolarHBondContact O-ND2 3.4Å |
| 199 | Q | 83.4 | Confident | 78.3 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 174.8 | -75.1 | 174.6 | 11 | 0 | 0 | 112.5 | L195 M196 F197 S203 N237 | L195-Q199 VanDerWaalsContact O-CG 3.28Å; L195-Q199 WeakPolarHBondContact O-CG 3.41Å; L195-Q199 PolarHBondContact O-N 3.3Å; M196-Q199 WeakPolarHBondContact O-CB 3.36Å; M196-Q199 PolarHBondContact O-N 3.3Å; M196-Q199 HydrophobicContact SD-CB 4.35Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 2.78Å; Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 2.8Å; Q199-N237 PolarHBondContact O-ND2 3.35Å; Q199-N237 VanDerWaalsContact O-ND2 3.08Å |
| 200 | L | 84.3 | Confident | 78.9 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.6 | -72.5 | 171.2 | 0 | 0 | 0 | 111.1 | I178 L186 L190 M196 F197 S203 T204 I241 | I178-L200 HydrophobicContact CD1-CB 4.26Å; I178-L200 HydrophobicContact CG2-CD1 4.31Å; L186-L200 HydrophobicContact CD1-CD1 4.27Å; L190-L200 HydrophobicContact CD1-CD1 3.66Å; L190-L200 HydrophobicContact CD2-CD1 3.77Å; L190-L200 HydrophobicContact CG-CD1 4.39Å; M196-L200 WeakPolarHBondContact O-CG 2.95Å; M196-L200 PolarHBondContact O-N 3.23Å; F197-L200 PolarHBondContact O-N 3.28Å; L200-S203 WeakPolarHBondContact O-CB 3.35Å; L200-S203 PolarHBondContact O-N 2.82Å; L200-S203 VanDerWaalsContact O-N 3.11Å; L200-T204 PolarHBondContact O-N 3.45Å; L200-I241 HydrophobicContact CD2-CD1 4.02Å; L200-I241 HydrophobicContact CD2-CG1 4.09Å; L200-I241 HydrophobicContact CD2-CG2 3.81Å |
| 201 | L | 84.5 | Confident | 79.2 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.3 | -175 | 63.5 | 0 | 0 | 0 | 111.7 | H174 I178 F197 D198 S203 T204 | H174-L201 HydrophobicContact CB-CD1 3.39Å; I178-L201 HydrophobicContact CD1-CB 4.26Å; I178-L201 HydrophobicContact CD1-CD1 4.22Å; F197-L201 PolarHBondContact O-N 3.44Å; D198-L201 PolarHBondContact O-N 2.88Å; L201-S203 PolarHBondContact O-N 3.45Å; L201-T204 PolarHBondContact O-N 3.48Å; L201-T204 PolarHBondContact O-OG1 3.09Å |
| 202 | N | 81.8 | Confident | 79.4 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -26.2 | 175.3 | -73.5 | -50.1 | 0 | 0 | 0 | 112.3 | D198 N206 | D198-N202 WeakPolarHBondContact O-CB 3.09Å; D198-N202 VanDerWaalsContact O-CG 3.26Å; D198-N202 PolarHBondContact O-N 3.29Å; D198-N202 PolarHBondContact O-ND2 3.4Å; N202-N206 WeakPolarHBondContact O-CB 3.22Å; N202-N206 VanDerWaalsContact O-CG 3.26Å; N202-N206 PolarHBondContact O-N 2.92Å; N202-N206 PolarHBondContact O-ND2 3.42Å |
| 203 | S | 81.6 | Confident | 80 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.3 | -155.2 | 0 | 0 | 0 | 0 | 111.8 | Q199 L200 L201 N206 F207 N237 | Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 2.8Å; L200-S203 WeakPolarHBondContact O-CB 3.35Å; L200-S203 PolarHBondContact O-N 2.82Å; L200-S203 VanDerWaalsContact O-N 3.11Å; L201-S203 PolarHBondContact O-N 3.45Å; S203-N206 PolarHBondContact O-N 3.32Å; S203-F207 WeakPolarHBondContact O-CA 3.14Å; S203-F207 WeakPolarHBondContact O-CB 3.35Å; S203-F207 PolarHBondContact O-N 2.85Å; S203-N237 VanDerWaalsContact CB-ND2 3.34Å; S203-N237 WeakPolarHBondContact CB-ND2 3.28Å; S203-N237 PolarHBondContact OG-ND2 3.45Å |
| 204 | T | 81.3 | Confident | 80.2 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | -179.7 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | H174 L200 L201 N208 | H174-T204 PolarHBondContact CD2-OG1 3.13Å; L200-T204 PolarHBondContact O-N 3.45Å; L201-T204 PolarHBondContact O-N 3.48Å; L201-T204 PolarHBondContact O-OG1 3.09Å; T204-N208 PolarHBondContact O-N 3.38Å; T204-N208 PolarHBondContact O-ND2 3.32Å |
| 205 | E | 80.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 174.2 | -68.3 | -172 | -172.3 | 0 | 0 | 111.9 | K171 F207 N208 K209 | K171-E205 WeakPolarHBondContact CE-OE1 3.28Å; E205-F207 VanDerWaalsContact C-N 3.34Å; E205-N208 PolarHBondContact O-N 3.3Å; E205-K209 PolarHBondContact O-N 2.98Å |
| 206 | N | 80.3 | Confident | 79.9 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -34.1 | -179.1 | -71.2 | -33.7 | 0 | 0 | 0 | 111.9 | N202 S203 N208 K209 V210 F234 | N202-N206 WeakPolarHBondContact O-CB 3.22Å; N202-N206 VanDerWaalsContact O-CG 3.26Å; N202-N206 PolarHBondContact O-N 2.92Å; N202-N206 PolarHBondContact O-ND2 3.42Å; S203-N206 PolarHBondContact O-N 3.32Å; N206-N208 PolarHBondContact O-N 3.25Å; N206-K209 PolarHBondContact O-N 3.04Å; N206-V210 WeakPolarHBondContact O-CB 3.41Å; N206-V210 WeakPolarHBondContact O-CG2 3.36Å; N206-V210 PolarHBondContact O-N 3.27Å; N206-F234 HydrophobicContact CB-CD2 3.89Å; N206-F234 HydrophobicContact CB-CE2 4.48Å |
| 207 | F | 80.8 | Confident | 79.5 | Confident | 60 Ų | 60 | 47 Ų | 47 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.3 | -50.2 | 173.1 | 178.3 | -85.7 | 0 | 0 | 0 | 110.6 | F105 F115 S203 E205 K209 V210 M211 F234 | F105-F207 AromaticContact CE1-CD2 3.94Å; F105-F207 HydrophobicContact CE1-CD2 3.94Å; F105-F207 AromaticContact CE1-CE2 3.95Å; F105-F207 HydrophobicContact CE1-CE2 3.95Å; F105-F207 HydrophobicContact CE2-CD2 4.11Å; F105-F207 AromaticContact CE2-CE2 3.61Å; F105-F207 HydrophobicContact CE2-CE2 3.61Å; F105-F207 AromaticContact CZ-CD2 3.28Å; F105-F207 HydrophobicContact CZ-CD2 3.28Å; F105-F207 AromaticContact CZ-CE2 3.19Å; F105-F207 HydrophobicContact CZ-CE2 3.19Å; F105-F207 HydrophobicContact CZ-CZ 4.42Å; F115-F207 HydrophobicContact CE2-CE2 4.05Å; F115-F207 HydrophobicContact CE2-CZ 4.01Å; F115-F207 HydrophobicContact CZ-CE2 4.29Å; F115-F207 AromaticContact CZ-CZ 3.79Å; F115-F207 HydrophobicContact CZ-CZ 3.79Å; S203-F207 WeakPolarHBondContact O-CA 3.14Å; S203-F207 WeakPolarHBondContact O-CB 3.35Å; S203-F207 PolarHBondContact O-N 2.85Å; E205-F207 VanDerWaalsContact C-N 3.34Å; F207-K209 VanDerWaalsContact C-N 3.34Å; F207-K209 PolarHBondContact O-N 3.42Å; F207-V210 PolarHBondContact O-N 2.82Å; F207-M211 HydrophobicContact CD1-CG 3.99Å; F207-M211 HydrophobicContact CE1-CG 3.6Å; F207-M211 HydrophobicContact CE2-CG 4.2Å; F207-M211 HydrophobicContact CG-CG 4.42Å; F207-M211 HydrophobicContact CZ-CG 3.68Å; F207-M211 HydrophobicContact CZ-SD 4.21Å; F207-M211 WeakPolarHBondContact O-CB 3.33Å; F207-M211 VanDerWaalsContact O-CG 3.28Å; F207-M211 WeakPolarHBondContact O-CG 3.41Å; F207-M211 PolarHBondContact O-N 3.42Å; F207-F234 VanDerWaalsContact CA-CE2 3.47Å; F207-F234 HydrophobicContact CB-CE2 3.88Å; F207-F234 HydrophobicContact CB-CZ 4.3Å; F207-F234 HydrophobicContact CD2-CE2 4.41Å; F207-F234 AromaticContact CD2-CZ 3.98Å; F207-F234 HydrophobicContact CD2-CZ 3.98Å |
| 208 | N | 79.3 | Confident | 79.2 | Confident | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 179.1 | -79 | -38.6 | 0 | 0 | 0 | 112.8 | T204 E205 N206 K212 | T204-N208 PolarHBondContact O-N 3.38Å; T204-N208 PolarHBondContact O-ND2 3.32Å; E205-N208 PolarHBondContact O-N 3.3Å; N206-N208 PolarHBondContact O-N 3.25Å; N208-K212 WeakPolarHBondContact O-CG 3.38Å; N208-K212 PolarHBondContact O-N 2.88Å |
| 209 | K | 79.3 | Confident | 79 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -51.8 | 175.1 | -69.8 | 171.7 | -173.7 | 163.2 | 0 | 110.7 | E205 N206 F207 M211 K212 F213 | E205-K209 PolarHBondContact O-N 2.98Å; N206-K209 PolarHBondContact O-N 3.04Å; F207-K209 VanDerWaalsContact C-N 3.34Å; F207-K209 PolarHBondContact O-N 3.42Å; K209-M211 PolarHBondContact O-N 2.95Å; K209-K212 PolarHBondContact O-N 3.25Å; K209-F213 HydrophobicContact CB-CD2 4.39Å; K209-F213 HydrophobicContact CB-CE2 4.35Å; K209-F213 WeakPolarHBondContact O-CD2 3.39Å; K209-F213 PolarHBondContact O-N 2.92Å |
| 210 | V | 79.2 | Confident | 78.7 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | -179.7 | 162.8 | 0 | 0 | 0 | 0 | 111.9 | N206 F207 K212 F213 N214 E230 F231 F234 | N206-V210 WeakPolarHBondContact O-CB 3.41Å; N206-V210 WeakPolarHBondContact O-CG2 3.36Å; N206-V210 PolarHBondContact O-N 3.27Å; F207-V210 PolarHBondContact O-N 2.82Å; V210-K212 PolarHBondContact O-N 3.49Å; V210-F213 PolarHBondContact O-N 3.06Å; V210-N214 WeakPolarHBondContact O-CB 3.17Å; V210-N214 PolarHBondContact O-N 2.84Å; V210-E230 HydrophobicContact CG2-CB 4.49Å; V210-F231 HydrophobicContact CG1-CD1 3.84Å; V210-F231 HydrophobicContact CG1-CE1 3.74Å; V210-F231 HydrophobicContact CG2-CD1 4.42Å; V210-F234 HydrophobicContact CB-CD1 4.44Å; V210-F234 HydrophobicContact CB-CD2 4.34Å; V210-F234 HydrophobicContact CB-CG 4.18Å; V210-F234 HydrophobicContact CG1-CD1 3.98Å; V210-F234 HydrophobicContact CG1-CE1 4.32Å; V210-F234 HydrophobicContact CG1-CG 4.21Å; V210-F234 HydrophobicContact CG2-CB 3.53Å; V210-F234 HydrophobicContact CG2-CD1 4.22Å; V210-F234 HydrophobicContact CG2-CD2 3.95Å; V210-F234 HydrophobicContact CG2-CG 3.62Å |
| 211 | M | 77.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 178.2 | -74.1 | -59 | -70.1 | 0 | 0 | 112.4 | L102 F105 F115 F207 K209 F215 | L102-M211 HydrophobicContact CD2-CE 3.89Å; L102-M211 HydrophobicContact CD2-SD 3.59Å; L102-M211 VanDerWaalsContact CD2-SD 3.59Å; F105-M211 HydrophobicContact CE2-SD 4.35Å; F115-M211 HydrophobicContact CE1-CE 4.15Å; F115-M211 HydrophobicContact CZ-CE 4.41Å; F207-M211 HydrophobicContact CD1-CG 3.99Å; F207-M211 HydrophobicContact CE1-CG 3.6Å; F207-M211 HydrophobicContact CE2-CG 4.2Å; F207-M211 HydrophobicContact CG-CG 4.42Å; F207-M211 HydrophobicContact CZ-CG 3.68Å; F207-M211 HydrophobicContact CZ-SD 4.21Å; F207-M211 WeakPolarHBondContact O-CB 3.33Å; F207-M211 VanDerWaalsContact O-CG 3.28Å; F207-M211 WeakPolarHBondContact O-CG 3.41Å; F207-M211 PolarHBondContact O-N 3.42Å; K209-M211 PolarHBondContact O-N 2.95Å; M211-F215 PolarHBondContact O-N 3.06Å |
| 212 | K | 75.7 | Confident | 77.9 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 59% | 0.591 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.8 | -50.2 | 175 | -74.1 | 172.4 | -178.3 | 170.5 | 0 | 111.7 | N208 K209 V210 F215 V216 | N208-K212 WeakPolarHBondContact O-CG 3.38Å; N208-K212 PolarHBondContact O-N 2.88Å; K209-K212 PolarHBondContact O-N 3.25Å; V210-K212 PolarHBondContact O-N 3.49Å; K212-F215 PolarHBondContact O-N 2.82Å; K212-V216 PolarHBondContact O-N 3.21Å |
| 213 | F | 76 | Confident | 77.7 | Confident | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 178.6 | -78.8 | -50.5 | 0 | 0 | 0 | 111.9 | K209 V210 F215 V216 A217 M227 E230 | K209-F213 HydrophobicContact CB-CD2 4.39Å; K209-F213 HydrophobicContact CB-CE2 4.35Å; K209-F213 WeakPolarHBondContact O-CD2 3.39Å; K209-F213 PolarHBondContact O-N 2.92Å; V210-F213 PolarHBondContact O-N 3.06Å; F213-F215 VanDerWaalsContact C-N 3.34Å; F213-F215 PolarHBondContact O-N 3.39Å; F213-V216 CarbonylContact O-C 3.38Å; F213-V216 WeakPolarHBondContact O-CA 3.3Å; F213-V216 WeakPolarHBondContact O-CB 3.08Å; F213-V216 PolarHBondContact O-N 3.43Å; F213-V216 VanDerWaalsContact O-N 3.09Å; F213-A217 PolarHBondContact O-N 3.25Å; F213-M227 HydrophobicContact CB-CG 4.06Å; F213-M227 HydrophobicContact CB-SD 3.45Å; F213-M227 WeakPolarHBondContact CB-SD 3.1Å; F213-M227 HydrophobicContact CD1-CG 4.03Å; F213-M227 HydrophobicContact CD1-SD 3.81Å; F213-M227 HydrophobicContact CG-CG 4.19Å; F213-M227 HydrophobicContact CG-SD 3.99Å; F213-E230 HydrophobicContact CD2-CB 4.45Å; F213-E230 HydrophobicContact CD2-CG 4.09Å; F213-E230 HydrophobicContact CE2-CG 4.01Å |
| 214 | N | 72.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.9 | 178 | 64.1 | 0 | 0 | 0 | 113.2 | F99 S101 V210 V216 A217 N218 F231 | F99-N214 WeakPolarHBondContact CB-ND2 3.38Å; S101-N214 VanDerWaalsContact CB-CB 3.48Å; S101-N214 WeakPolarHBondContact CB-OD1 3.27Å; S101-N214 PolarHBondContact N-OD1 3.45Å; S101-N214 WeakPolarHBondContact OG-CB 3.17Å; S101-N214 PolarHBondContact OG-ND2 3.5Å; S101-N214 PolarHBondContact OG-OD1 2.92Å; V210-N214 WeakPolarHBondContact O-CB 3.17Å; V210-N214 PolarHBondContact O-N 2.84Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 2.86Å; N214-A217 PolarHBondContact O-N 3.27Å; N214-N218 PolarHBondContact ND2-ND2 3.04Å; N214-N218 PolarHBondContact O-N 3.48Å; N214-N218 PolarHBondContact O-ND2 3.32Å; N214-N218 PolarHBondContact OD1-ND2 3.25Å; N214-F231 HydrophobicContact CB-CE1 3.98Å; N214-F231 HydrophobicContact CB-CZ 3.97Å |
| 215 | F | 73.2 | Confident | 77 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 174.2 | -166 | -101.3 | 0 | 0 | 0 | 109.6 | L46 F47 I70 F99 M211 K212 F213 Y219 | L46-F215 HydrophobicContact CB-CE1 3.87Å; L46-F215 HydrophobicContact CB-CZ 4.4Å; F47-F215 AromaticContact CD1-CD1 3.54Å; F47-F215 HydrophobicContact CD1-CD1 3.54Å; F47-F215 HydrophobicContact CD1-CE1 4.04Å; F47-F215 AromaticContact CE1-CD1 3.32Å; F47-F215 HydrophobicContact CE1-CD1 3.32Å; F47-F215 AromaticContact CE1-CE1 3.69Å; F47-F215 HydrophobicContact CE1-CE1 3.69Å; F47-F215 HydrophobicContact CE1-CG 4.35Å; F47-F215 HydrophobicContact CZ-CD1 4.46Å; I70-F215 HydrophobicContact CD1-CZ 4.18Å; F99-F215 HydrophobicContact CZ-CD2 4.45Å; M211-F215 PolarHBondContact O-N 3.06Å; K212-F215 PolarHBondContact O-N 2.82Å; F213-F215 VanDerWaalsContact C-N 3.34Å; F213-F215 PolarHBondContact O-N 3.39Å; F215-Y219 HydrophobicContact CD1-CD2 4.34Å; F215-Y219 HydrophobicContact CD1-CE2 4.09Å; F215-Y219 AromaticContact CD2-CE2 3.86Å; F215-Y219 HydrophobicContact CD2-CE2 3.86Å; F215-Y219 HydrophobicContact CE1-CD2 4.21Å; F215-Y219 AromaticContact CE1-CE2 3.77Å; F215-Y219 HydrophobicContact CE1-CE2 3.77Å; F215-Y219 AromaticContact CE2-CE2 3.57Å; F215-Y219 HydrophobicContact CE2-CE2 3.57Å; F215-Y219 HydrophobicContact CG-CE2 4.12Å; F215-Y219 HydrophobicContact CZ-CD2 4.37Å; F215-Y219 AromaticContact CZ-CE2 3.5Å; F215-Y219 HydrophobicContact CZ-CE2 3.5Å; F215-Y219 VanDerWaalsContact CZ-CE2 3.5Å; F215-Y219 WeakPolarHBondContact O-CD2 3.28Å |
| 216 | V | 76.2 | Confident | 76.6 | Confident | 31 Ų | 31 | 71 Ų | 71 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | F47 K212 F213 N214 N218 Y219 F220 L223 | F47-V216 HydrophobicContact CB-CG2 4.18Å; F47-V216 HydrophobicContact CD1-CB 4.13Å; F47-V216 HydrophobicContact CD1-CG2 3.28Å; F47-V216 VanDerWaalsContact CE1-CA 3.46Å; F47-V216 HydrophobicContact CE1-CB 4.13Å; F47-V216 HydrophobicContact CE1-CG2 3.8Å; F47-V216 HydrophobicContact CG-CG2 3.76Å; K212-V216 PolarHBondContact O-N 3.21Å; F213-V216 CarbonylContact O-C 3.38Å; F213-V216 WeakPolarHBondContact O-CA 3.3Å; F213-V216 WeakPolarHBondContact O-CB 3.08Å; F213-V216 PolarHBondContact O-N 3.43Å; F213-V216 VanDerWaalsContact O-N 3.09Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 2.86Å; V216-N218 VanDerWaalsContact C-N 3.3Å; V216-N218 PolarHBondContact O-N 3.38Å; V216-Y219 PolarHBondContact O-N 2.81Å; V216-F220 PolarHBondContact O-N 2.83Å; V216-L223 HydrophobicContact CG1-CD1 3.44Å; V216-L223 VanDerWaalsContact CG1-CD1 3.44Å |
| 217 | A | 75.8 | Confident | 76.3 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -39.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F213 N214 Y219 F220 M227 | F213-A217 PolarHBondContact O-N 3.25Å; N214-A217 PolarHBondContact O-N 3.27Å; A217-Y219 VanDerWaalsContact C-N 3.33Å; A217-Y219 PolarHBondContact O-N 3.47Å; A217-F220 CarbonylContact O-C 3.52Å; A217-F220 VanDerWaalsContact O-C 3.23Å; A217-F220 PolarHBondContact O-N 3.13Å; A217-M227 VanDerWaalsContact CA-CE 3.46Å; A217-M227 HydrophobicContact CB-CE 3.22Å; A217-M227 HydrophobicContact CB-SD 3.95Å |
| 218 | N | 76.5 | Confident | 76.2 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.7 | -22.9 | -175.7 | -76.6 | -61.6 | 0 | 0 | 0 | 113.9 | K73 F99 N214 V216 | K73-N218 WeakPolarHBondContact CE-O 3.44Å; K73-N218 PolarHBondContact NZ-O 3.4Å; F99-N218 WeakPolarHBondContact CB-ND2 3.17Å; F99-N218 HydrophobicContact CD1-CB 3.79Å; F99-N218 VanDerWaalsContact CD1-CG 3.43Å; F99-N218 WeakPolarHBondContact CD1-ND2 3.18Å; F99-N218 HydrophobicContact CE1-CB 4.13Å; F99-N218 VanDerWaalsContact CG-ND2 3.35Å; F99-N218 WeakPolarHBondContact CG-ND2 3.26Å; N214-N218 PolarHBondContact ND2-ND2 3.04Å; N214-N218 PolarHBondContact O-N 3.48Å; N214-N218 PolarHBondContact O-ND2 3.32Å; N214-N218 PolarHBondContact OD1-ND2 3.25Å; V216-N218 VanDerWaalsContact C-N 3.3Å; V216-N218 PolarHBondContact O-N 3.38Å |
| 219 | Y | 78.2 | Confident | 76.3 | Confident | 24 Ų | 24 | 78 Ų | 78 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -94.6 | -28.3 | 173.6 | -63.7 | -65 | 0 | 0 | 0 | 111.3 | F47 I70 G71 K73 V75 F215 V216 A217 P221 | F47-Y219 HydrophobicContact CE1-CD2 4.07Å; F47-Y219 HydrophobicContact CZ-CD2 4.02Å; F47-Y219 HydrophobicContact CZ-CG 4.49Å; I70-Y219 HydrophobicContact CB-CD1 3.62Å; I70-Y219 HydrophobicContact CB-CD2 4.22Å; I70-Y219 HydrophobicContact CB-CE1 3.92Å; I70-Y219 HydrophobicContact CB-CG 3.78Å; I70-Y219 HydrophobicContact CD1-CD1 4.47Å; I70-Y219 HydrophobicContact CD1-CD2 4.33Å; I70-Y219 HydrophobicContact CD1-CE1 4.01Å; I70-Y219 HydrophobicContact CD1-CE2 3.93Å; I70-Y219 HydrophobicContact CG2-CD1 3.87Å; I70-Y219 HydrophobicContact CG2-CD2 3.69Å; I70-Y219 HydrophobicContact CG2-CE1 4.44Å; I70-Y219 HydrophobicContact CG2-CE2 4.34Å; I70-Y219 HydrophobicContact CG2-CG 3.46Å; I70-Y219 VanDerWaalsContact CG2-CG 3.46Å; I70-Y219 WeakPolarHBondContact O-CD1 3.42Å; G71-Y219 WeakPolarHBondContact CA-O 3.37Å; K73-Y219 HydrophobicContact CB-CD1 3.96Å; K73-Y219 HydrophobicContact CB-CE1 3.89Å; K73-Y219 HydrophobicContact CD-CD1 3.79Å; K73-Y219 HydrophobicContact CD-CE1 3.85Å; K73-Y219 HydrophobicContact CG-CD1 4.24Å; K73-Y219 HydrophobicContact CG-CE1 4.42Å; V75-Y219 HydrophobicContact CG2-CE1 4.37Å; F215-Y219 HydrophobicContact CD1-CD2 4.34Å; F215-Y219 HydrophobicContact CD1-CE2 4.09Å; F215-Y219 AromaticContact CD2-CE2 3.86Å; F215-Y219 HydrophobicContact CD2-CE2 3.86Å; F215-Y219 HydrophobicContact CE1-CD2 4.21Å; F215-Y219 AromaticContact CE1-CE2 3.77Å; F215-Y219 HydrophobicContact CE1-CE2 3.77Å; F215-Y219 AromaticContact CE2-CE2 3.57Å; F215-Y219 HydrophobicContact CE2-CE2 3.57Å; F215-Y219 HydrophobicContact CG-CE2 4.12Å; F215-Y219 HydrophobicContact CZ-CD2 4.37Å; F215-Y219 AromaticContact CZ-CE2 3.5Å; F215-Y219 HydrophobicContact CZ-CE2 3.5Å; F215-Y219 VanDerWaalsContact CZ-CE2 3.5Å; F215-Y219 WeakPolarHBondContact O-CD2 3.28Å; V216-Y219 PolarHBondContact O-N 2.81Å; A217-Y219 VanDerWaalsContact C-N 3.33Å; A217-Y219 PolarHBondContact O-N 3.47Å; Y219-P221 WeakPolarHBondContact O-CD 3.21Å |
| 220 | F | 78.9 | Confident | 76.3 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | trans | -123.7 | 80.9 | 179.6 | -62.6 | -90.3 | 0 | 0 | 0 | 110.3 | I41 F47 I70 V216 A217 L222 L223 | I41-F220 HydrophobicContact CB-CE1 4.5Å; I41-F220 HydrophobicContact CG2-CE1 4.22Å; I41-F220 HydrophobicContact CG2-CZ 4.1Å; I41-F220 WeakPolarHBondContact O-CZ 3.49Å; F47-F220 AromaticContact CE2-CD2 3.98Å; F47-F220 HydrophobicContact CE2-CD2 3.98Å; F47-F220 AromaticContact CE2-CE2 3.35Å; F47-F220 HydrophobicContact CE2-CE2 3.35Å; F47-F220 HydrophobicContact CE2-CZ 4.24Å; F47-F220 AromaticContact CZ-CD2 3.86Å; F47-F220 HydrophobicContact CZ-CD2 3.86Å; F47-F220 AromaticContact CZ-CE2 3.51Å; F47-F220 HydrophobicContact CZ-CE2 3.51Å; I70-F220 HydrophobicContact CG2-CE2 4.2Å; V216-F220 PolarHBondContact O-N 2.83Å; A217-F220 CarbonylContact O-C 3.52Å; A217-F220 VanDerWaalsContact O-C 3.23Å; A217-F220 PolarHBondContact O-N 3.13Å; F220-L222 PolarHBondContact O-N 2.93Å; F220-L223 HydrophobicContact CB-CD1 3.86Å; F220-L223 HydrophobicContact CB-CG 4.1Å; F220-L223 HydrophobicContact CG-CD1 4.48Å; F220-L223 PolarHBondContact O-N 3.08Å | ||
| 221 | P | 75.8 | Confident | 76.2 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -55.5 | -27.6 | -176.6 | -27.7 | 35.1 | 0 | 0 | 0 | 114.3 | Y219 L223 R224 | Y219-P221 WeakPolarHBondContact O-CD 3.21Å; P221-L223 PolarHBondContact O-N 3.46Å; P221-R224 WeakPolarHBondContact O-CB 3.27Å; P221-R224 PolarHBondContact O-N 2.89Å; P221-R224 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 76.2 | Confident | 76.4 | Confident | 162 Ų | 162 | 79.9 Ų | 79.9 | 85% | 0.848 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -60.3 | -28.8 | 176.1 | -66.4 | 170.6 | 0 | 0 | 0 | 112.8 | F220 R224 | F220-L222 PolarHBondContact O-N 2.93Å; L222-R224 VanDerWaalsContact C-N 3.33Å |
| 223 | L | 76.6 | Confident | 76.7 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -81.4 | -13.3 | 179 | -60.9 | 177.7 | 0 | 0 | 0 | 112.6 | V216 F220 P221 Q225 I226 M227 | V216-L223 HydrophobicContact CG1-CD1 3.44Å; V216-L223 VanDerWaalsContact CG1-CD1 3.44Å; F220-L223 HydrophobicContact CB-CD1 3.86Å; F220-L223 HydrophobicContact CB-CG 4.1Å; F220-L223 HydrophobicContact CG-CD1 4.48Å; F220-L223 PolarHBondContact O-N 3.08Å; P221-L223 PolarHBondContact O-N 3.46Å; L223-Q225 PolarHBondContact O-N 3.49Å; L223-Q225 VanDerWaalsContact O-N 3.14Å; L223-I226 HydrophobicContact CD2-CD1 4.05Å; L223-I226 PolarHBondContact O-N 2.98Å; L223-M227 HydrophobicContact CB-CE 3.6Å; L223-M227 WeakPolarHBondContact O-CE 3.25Å |
| 224 | R | 73.8 | Confident | 76.9 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -54.3 | -35.8 | -177.1 | -174.3 | 179.5 | 173.8 | -177.9 | 0.3 | 113.3 | E100 P221 L222 I226 M227 | E100-R224 VanDerWaalsContact CD-CZ 3.42Å; E100-R224 IonicContact OE1-CZ 2.65Å; E100-R224 IonicContact OE1-NE 2.63Å; E100-R224 PolarHBondContact OE1-NE 3.44Å; E100-R224 IonicContact OE1-NH2 3.76Å; E100-R224 PolarHBondContact OE1-NH2 2.98Å; E100-R224 WeakPolarHBondContact OE2-CD 3.44Å; E100-R224 IonicContact OE2-CZ 3.82Å; E100-R224 IonicContact OE2-NE 3.98Å; E100-R224 PolarHBondContact OE2-NE 3.41Å; E100-R224 IonicContact OE2-NH1 3.39Å; E100-R224 IonicContact OE2-NH2 2.8Å; E100-R224 PolarHBondContact OE2-NH2 3.38Å; P221-R224 WeakPolarHBondContact O-CB 3.27Å; P221-R224 PolarHBondContact O-N 2.89Å; P221-R224 VanDerWaalsContact O-N 3.09Å; L222-R224 VanDerWaalsContact C-N 3.33Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 2.99Å; R224-M227 PolarHBondContact O-N 3.38Å |
| 225 | Q | 73.8 | Confident | 77.3 | Confident | 174 Ų | 174 | 77.5 Ų | 77.5 | 81% | 0.813 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -64.4 | -36.4 | -179.5 | -69.7 | -178.1 | -16.5 | 0 | 0 | 112.7 | L223 M227 | L223-Q225 PolarHBondContact O-N 3.49Å; L223-Q225 VanDerWaalsContact O-N 3.14Å; Q225-M227 VanDerWaalsContact C-N 3.25Å; Q225-M227 PolarHBondContact O-N 3.15Å |
| 226 | I | 72.2 | Confident | 77.8 | Confident | 126 Ų | 126 | 78.7 Ų | 78.7 | 65% | 0.646 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31.6 | -179.2 | -56.5 | 172.8 | 0 | 0 | 0 | 110.4 | L223 R224 | L223-I226 HydrophobicContact CD2-CD1 4.05Å; L223-I226 PolarHBondContact O-N 2.98Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 2.99Å |
| 227 | M | 74.9 | Confident | 78.1 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.2 | -172.2 | -66.1 | 176.6 | -83.8 | 0 | 0 | 114.3 | F213 A217 L223 R224 Q225 R229 E230 F231 | F213-M227 HydrophobicContact CB-CG 4.06Å; F213-M227 HydrophobicContact CB-SD 3.45Å; F213-M227 WeakPolarHBondContact CB-SD 3.1Å; F213-M227 HydrophobicContact CD1-CG 4.03Å; F213-M227 HydrophobicContact CD1-SD 3.81Å; F213-M227 HydrophobicContact CG-CG 4.19Å; F213-M227 HydrophobicContact CG-SD 3.99Å; A217-M227 VanDerWaalsContact CA-CE 3.46Å; A217-M227 HydrophobicContact CB-CE 3.22Å; A217-M227 HydrophobicContact CB-SD 3.95Å; L223-M227 HydrophobicContact CB-CE 3.6Å; L223-M227 WeakPolarHBondContact O-CE 3.25Å; R224-M227 PolarHBondContact O-N 3.38Å; Q225-M227 VanDerWaalsContact C-N 3.25Å; Q225-M227 PolarHBondContact O-N 3.15Å; M227-R229 PolarHBondContact O-N 3.41Å; M227-E230 VanDerWaalsContact C-OE2 3.29Å; M227-E230 VanDerWaalsContact CA-OE2 3.28Å; M227-E230 WeakPolarHBondContact CA-OE2 3.34Å; M227-E230 PolarHBondContact O-N 3.3Å; M227-F231 HydrophobicContact CB-CD2 4.09Å; M227-F231 HydrophobicContact CB-CE2 3.64Å; M227-F231 HydrophobicContact CB-CZ 4.39Å; M227-F231 WeakPolarHBondContact O-CD2 2.89Å; M227-F231 PolarHBondContact O-N 3.19Å |
| 228 | H | 78.4 | Confident | 78.3 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -34.4 | -177 | -178.2 | -86.3 | 0 | 0 | 0 | 112.4 | K232 | H228-K232 WeakPolarHBondContact O-CB 3.39Å; H228-K232 PolarHBondContact O-N 3.21Å |
| 229 | R | 81.8 | Confident | 78.5 | Confident | 190 Ų | 190 | 79.3 Ų | 79.3 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | -179.3 | -177.7 | -178 | 177.6 | -170.2 | -0.6 | 111.3 | M227 K232 V233 | M227-R229 PolarHBondContact O-N 3.41Å; R229-K232 PolarHBondContact O-N 2.98Å; R229-V233 WeakPolarHBondContact O-CG2 3.24Å; R229-V233 PolarHBondContact O-N 2.97Å |
| 230 | E | 78.5 | Confident | 78.7 | Confident | 63 Ų | 63 | 85 Ų | 85 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | -178.8 | -66.1 | 71.1 | -160.4 | 0 | 0 | 110.3 | V210 F213 M227 K232 V233 F234 | V210-E230 HydrophobicContact CG2-CB 4.49Å; F213-E230 HydrophobicContact CD2-CB 4.45Å; F213-E230 HydrophobicContact CD2-CG 4.09Å; F213-E230 HydrophobicContact CE2-CG 4.01Å; M227-E230 VanDerWaalsContact C-OE2 3.29Å; M227-E230 VanDerWaalsContact CA-OE2 3.28Å; M227-E230 WeakPolarHBondContact CA-OE2 3.34Å; M227-E230 PolarHBondContact O-N 3.3Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.2Å; E230-V233 PolarHBondContact O-N 2.83Å; E230-F234 WeakPolarHBondContact O-CB 3.24Å; E230-F234 PolarHBondContact O-N 3.02Å |
| 231 | F | 77.6 | Confident | 78.7 | Confident | 17 Ų | 17 | 83.2 Ų | 83.2 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 173.7 | -68 | -51.6 | 0 | 0 | 0 | 112.2 | V210 N214 M227 F234 R235 | V210-F231 HydrophobicContact CG1-CD1 3.84Å; V210-F231 HydrophobicContact CG1-CE1 3.74Å; V210-F231 HydrophobicContact CG2-CD1 4.42Å; N214-F231 HydrophobicContact CB-CE1 3.98Å; N214-F231 HydrophobicContact CB-CZ 3.97Å; M227-F231 HydrophobicContact CB-CD2 4.09Å; M227-F231 HydrophobicContact CB-CE2 3.64Å; M227-F231 HydrophobicContact CB-CZ 4.39Å; M227-F231 WeakPolarHBondContact O-CD2 2.89Å; M227-F231 PolarHBondContact O-N 3.19Å; F231-F234 PolarHBondContact O-N 3.37Å; F231-R235 VanDerWaalsContact O-CB 3.25Å; F231-R235 WeakPolarHBondContact O-CB 3.2Å; F231-R235 PolarHBondContact O-N 2.96Å |
| 232 | K | 82.5 | Confident | 78.9 | Confident | 109 Ų | 109 | 79.1 Ų | 79.1 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -51.1 | 177.6 | -179 | 178.6 | 173.7 | -179.2 | 0 | 111.8 | H228 R229 E230 F234 R235 E236 | H228-K232 WeakPolarHBondContact O-CB 3.39Å; H228-K232 PolarHBondContact O-N 3.21Å; R229-K232 PolarHBondContact O-N 2.98Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.2Å; K232-F234 VanDerWaalsContact C-N 3.26Å; K232-F234 PolarHBondContact O-N 3.47Å; K232-R235 PolarHBondContact O-N 3.24Å; K232-E236 WeakPolarHBondContact CE-OE1 3.09Å; K232-E236 IonicContact NZ-OE1 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3Å; K232-E236 PolarHBondContact O-N 3.28Å |
| 233 | V | 82.1 | Confident | 79.1 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 178 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | R229 E230 E236 N237 | R229-V233 WeakPolarHBondContact O-CG2 3.24Å; R229-V233 PolarHBondContact O-N 2.97Å; E230-V233 PolarHBondContact O-N 2.83Å; V233-E236 PolarHBondContact O-N 2.78Å; V233-N237 PolarHBondContact O-N 3.39Å |
| 234 | F | 80 | Confident | 79.3 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 179.1 | -174.2 | -104.1 | 0 | 0 | 0 | 112.7 | V104 F105 N206 F207 V210 E230 F231 K232 E236 N237 N238 | V104-F234 HydrophobicContact CG1-CD1 3.98Å; V104-F234 HydrophobicContact CG1-CE1 4.08Å; F105-F234 HydrophobicContact CD1-CE1 4.27Å; F105-F234 HydrophobicContact CD1-CZ 4.48Å; F105-F234 AromaticContact CE1-CE1 3.38Å; F105-F234 HydrophobicContact CE1-CE1 3.38Å; F105-F234 AromaticContact CE1-CZ 3.28Å; F105-F234 HydrophobicContact CE1-CZ 3.28Å; F105-F234 HydrophobicContact CE2-CE1 4.08Å; F105-F234 HydrophobicContact CE2-CZ 4.3Å; F105-F234 AromaticContact CZ-CE1 3.21Å; F105-F234 HydrophobicContact CZ-CE1 3.21Å; F105-F234 HydrophobicContact CZ-CE2 4.39Å; F105-F234 AromaticContact CZ-CZ 3.13Å; F105-F234 HydrophobicContact CZ-CZ 3.13Å; N206-F234 HydrophobicContact CB-CD2 3.89Å; N206-F234 HydrophobicContact CB-CE2 4.48Å; F207-F234 VanDerWaalsContact CA-CE2 3.47Å; F207-F234 HydrophobicContact CB-CE2 3.88Å; F207-F234 HydrophobicContact CB-CZ 4.3Å; F207-F234 HydrophobicContact CD2-CE2 4.41Å; F207-F234 AromaticContact CD2-CZ 3.98Å; F207-F234 HydrophobicContact CD2-CZ 3.98Å; V210-F234 HydrophobicContact CB-CD1 4.44Å; V210-F234 HydrophobicContact CB-CD2 4.34Å; V210-F234 HydrophobicContact CB-CG 4.18Å; V210-F234 HydrophobicContact CG1-CD1 3.98Å; V210-F234 HydrophobicContact CG1-CE1 4.32Å; V210-F234 HydrophobicContact CG1-CG 4.21Å; V210-F234 HydrophobicContact CG2-CB 3.53Å; V210-F234 HydrophobicContact CG2-CD1 4.22Å; V210-F234 HydrophobicContact CG2-CD2 3.95Å; V210-F234 HydrophobicContact CG2-CG 3.62Å; E230-F234 WeakPolarHBondContact O-CB 3.24Å; E230-F234 PolarHBondContact O-N 3.02Å; F231-F234 PolarHBondContact O-N 3.37Å; K232-F234 VanDerWaalsContact C-N 3.26Å; K232-F234 PolarHBondContact O-N 3.47Å; F234-E236 PolarHBondContact O-N 2.98Å; F234-N237 PolarHBondContact O-N 2.96Å; F234-N238 WeakPolarHBondContact CD2-ND2 3.28Å; F234-N238 WeakPolarHBondContact CE1-ND2 3.22Å; F234-N238 WeakPolarHBondContact CE2-ND2 3.34Å; F234-N238 WeakPolarHBondContact CZ-ND2 3.36Å; F234-N238 VanDerWaalsContact O-CB 3.27Å; F234-N238 WeakPolarHBondContact O-CB 3.39Å; F234-N238 PolarHBondContact O-N 3.48Å; F234-N238 PolarHBondContact O-ND2 3.02Å |
| 235 | R | 80.4 | Confident | 79.6 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 174.2 | 163.9 | 178.5 | -53.5 | 167.9 | 4.5 | 112.2 | V104 E108 F231 K232 N238 S239 | V104-R235 HydrophobicContact CG1-CB 4.35Å; E108-R235 WeakPolarHBondContact OE1-CD 3.41Å; E108-R235 IonicContact OE1-CZ 3.3Å; E108-R235 IonicContact OE1-NE 3.81Å; E108-R235 PolarHBondContact OE1-NE 2.75Å; E108-R235 IonicContact OE1-NH2 3.98Å; E108-R235 VanDerWaalsContact OE2-CD 3.28Å; E108-R235 WeakPolarHBondContact OE2-CD 3.38Å; E108-R235 WeakPolarHBondContact OE2-CG 3.36Å; E108-R235 IonicContact OE2-CZ 3.04Å; E108-R235 IonicContact OE2-NE 3.88Å; E108-R235 PolarHBondContact OE2-NE 3.49Å; F231-R235 VanDerWaalsContact O-CB 3.25Å; F231-R235 WeakPolarHBondContact O-CB 3.2Å; F231-R235 PolarHBondContact O-N 2.96Å; K232-R235 PolarHBondContact O-N 3.24Å; R235-N238 PolarHBondContact O-N 3.45Å; R235-S239 WeakPolarHBondContact O-CB 3.02Å; R235-S239 PolarHBondContact O-N 2.78Å |
| 236 | E | 84.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | -178.9 | -74.3 | 174.1 | -177.7 | 0 | 0 | 111.8 | K232 V233 F234 S239 R240 | K232-E236 WeakPolarHBondContact CE-OE1 3.09Å; K232-E236 IonicContact NZ-OE1 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3Å; K232-E236 PolarHBondContact O-N 3.28Å; V233-E236 PolarHBondContact O-N 2.78Å; F234-E236 PolarHBondContact O-N 2.98Å; E236-S239 PolarHBondContact O-N 3.4Å; E236-R240 WeakPolarHBondContact O-CG 3.45Å; E236-R240 PolarHBondContact O-N 3.19Å |
| 237 | N | 82.2 | Confident | 80.3 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -168 | 63.1 | 0 | 0 | 0 | 111.6 | Q199 S203 V233 F234 S239 R240 I241 | Q199-N237 PolarHBondContact O-ND2 3.35Å; Q199-N237 VanDerWaalsContact O-ND2 3.08Å; S203-N237 VanDerWaalsContact CB-ND2 3.34Å; S203-N237 WeakPolarHBondContact CB-ND2 3.28Å; S203-N237 PolarHBondContact OG-ND2 3.45Å; V233-N237 PolarHBondContact O-N 3.39Å; F234-N237 PolarHBondContact O-N 2.96Å; N237-S239 VanDerWaalsContact C-N 3.35Å; N237-S239 PolarHBondContact O-N 3.46Å; N237-R240 WeakPolarHBondContact O-CB 3.49Å; N237-R240 PolarHBondContact O-N 3.05Å; N237-R240 VanDerWaalsContact O-N 3.14Å; N237-I241 WeakPolarHBondContact ND2-CD1 3.48Å; N237-I241 PolarHBondContact O-N 2.89Å |
| 238 | N | 78.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -34.4 | -179.6 | -88.7 | -72.5 | 0 | 0 | 0 | 113.4 | V109 F234 R235 R240 I241 G242 | V109-N238 HydrophobicContact CG2-CB 3.41Å; V109-N238 VanDerWaalsContact CG2-CB 3.41Å; V109-N238 VanDerWaalsContact CG2-OD1 3.27Å; V109-N238 WeakPolarHBondContact CG2-OD1 3.37Å; F234-N238 WeakPolarHBondContact CD2-ND2 3.28Å; F234-N238 WeakPolarHBondContact CE1-ND2 3.22Å; F234-N238 WeakPolarHBondContact CE2-ND2 3.34Å; F234-N238 WeakPolarHBondContact CZ-ND2 3.36Å; F234-N238 VanDerWaalsContact O-CB 3.27Å; F234-N238 WeakPolarHBondContact O-CB 3.39Å; F234-N238 PolarHBondContact O-N 3.48Å; F234-N238 PolarHBondContact O-ND2 3.02Å; R235-N238 PolarHBondContact O-N 3.45Å; N238-R240 VanDerWaalsContact C-N 3.31Å; N238-R240 PolarHBondContact O-N 3.04Å; N238-I241 PolarHBondContact O-N 3.27Å; N238-G242 PolarHBondContact O-N 3.4Å |
| 239 | S | 81.5 | Confident | 80.5 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | R235 E236 N237 K243 | R235-S239 WeakPolarHBondContact O-CB 3.02Å; R235-S239 PolarHBondContact O-N 2.78Å; E236-S239 PolarHBondContact O-N 3.4Å; N237-S239 VanDerWaalsContact C-N 3.35Å; N237-S239 PolarHBondContact O-N 3.46Å; S239-K243 WeakPolarHBondContact O-CG 3.33Å; S239-K243 PolarHBondContact O-N 2.99Å |
| 240 | R | 82 | Confident | 80.6 | Confident | 142 Ų | 142 | 55.9 Ų | 55.9 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 175.7 | -67 | 172.1 | -175.1 | 177.7 | 2 | 111.5 | E236 N237 N238 G242 K243 F244 | E236-R240 WeakPolarHBondContact O-CG 3.45Å; E236-R240 PolarHBondContact O-N 3.19Å; N237-R240 WeakPolarHBondContact O-CB 3.49Å; N237-R240 PolarHBondContact O-N 3.05Å; N237-R240 VanDerWaalsContact O-N 3.14Å; N238-R240 VanDerWaalsContact C-N 3.31Å; N238-R240 PolarHBondContact O-N 3.04Å; R240-G242 VanDerWaalsContact C-N 3.34Å; R240-G242 PolarHBondContact O-N 3.33Å; R240-K243 PolarHBondContact O-N 3.26Å; R240-F244 PolarHBondContact O-N 2.82Å |
| 241 | I | 80.1 | Confident | 80.8 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.2 | -67.4 | 164.3 | 0 | 0 | 0 | 110.5 | M196 L200 N237 N238 K243 F244 M245 | M196-I241 HydrophobicContact SD-CG1 4.2Å; L200-I241 HydrophobicContact CD2-CD1 4.02Å; L200-I241 HydrophobicContact CD2-CG1 4.09Å; L200-I241 HydrophobicContact CD2-CG2 3.81Å; N237-I241 WeakPolarHBondContact ND2-CD1 3.48Å; N237-I241 PolarHBondContact O-N 2.89Å; N238-I241 PolarHBondContact O-N 3.27Å; I241-K243 VanDerWaalsContact C-N 3.34Å; I241-K243 PolarHBondContact O-N 2.82Å; I241-F244 WeakPolarHBondContact O-CB 3.47Å; I241-F244 PolarHBondContact O-N 3.05Å; I241-M245 HydrophobicContact CG2-CE 3.61Å; I241-M245 HydrophobicContact CG2-CG 4.34Å; I241-M245 HydrophobicContact CG2-SD 3.99Å; I241-M245 VanDerWaalsContact O-CG 3.32Å; I241-M245 WeakPolarHBondContact O-CG 3.15Å; I241-M245 PolarHBondContact O-N 3.18Å |
| 242 | G | 78.3 | Confident | 81 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | N238 R240 M245 E246 | N238-G242 PolarHBondContact O-N 3.4Å; R240-G242 VanDerWaalsContact C-N 3.34Å; R240-G242 PolarHBondContact O-N 3.33Å; G242-M245 PolarHBondContact O-N 3.08Å; G242-E246 WeakPolarHBondContact O-CG 3.38Å; G242-E246 PolarHBondContact O-N 3.09Å |
| 243 | K | 81.1 | Confident | 81 | Confident | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 174.6 | -75.4 | 177.7 | -178 | -175.7 | 0 | 112.4 | S239 R240 I241 E246 E247 | S239-K243 WeakPolarHBondContact O-CG 3.33Å; S239-K243 PolarHBondContact O-N 2.99Å; R240-K243 PolarHBondContact O-N 3.26Å; I241-K243 VanDerWaalsContact C-N 3.34Å; I241-K243 PolarHBondContact O-N 2.82Å; K243-E246 WeakPolarHBondContact O-CB 3.09Å; K243-E246 PolarHBondContact O-N 3.49Å; K243-E247 WeakPolarHBondContact O-CG 3.03Å; K243-E247 PolarHBondContact O-N 2.93Å |
| 244 | F | 81.3 | Confident | 81.2 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 175.7 | 177.1 | -97.5 | 0 | 0 | 0 | 111.2 | L186 E189 L190 M196 R240 I241 E246 E247 T248 | L186-F244 HydrophobicContact CD1-CD1 4.35Å; L186-F244 HydrophobicContact CD1-CE1 3.87Å; E189-F244 HydrophobicContact CB-CZ 4.28Å; L190-F244 HydrophobicContact CD1-CE1 4.33Å; L190-F244 HydrophobicContact CD1-CZ 4.42Å; M196-F244 HydrophobicContact CB-CD2 4.37Å; M196-F244 HydrophobicContact CB-CE2 4.25Å; M196-F244 HydrophobicContact CB-CZ 4.41Å; M196-F244 HydrophobicContact CE-CB 3.38Å; M196-F244 HydrophobicContact CE-CD1 4.37Å; M196-F244 HydrophobicContact CE-CD2 3.77Å; M196-F244 HydrophobicContact CE-CG 3.58Å; M196-F244 HydrophobicContact CG-CB 4.38Å; M196-F244 HydrophobicContact CG-CD1 3.56Å; M196-F244 HydrophobicContact CG-CD2 3.84Å; M196-F244 HydrophobicContact CG-CE1 3.67Å; M196-F244 HydrophobicContact CG-CE2 3.93Å; M196-F244 HydrophobicContact CG-CG 3.64Å; M196-F244 HydrophobicContact CG-CZ 3.85Å; M196-F244 HydrophobicContact SD-CB 3.79Å; M196-F244 HydrophobicContact SD-CD1 3.9Å; M196-F244 HydrophobicContact SD-CD2 4.3Å; M196-F244 HydrophobicContact SD-CG 3.72Å; R240-F244 PolarHBondContact O-N 2.82Å; I241-F244 WeakPolarHBondContact O-CB 3.47Å; I241-F244 PolarHBondContact O-N 3.05Å; F244-E246 VanDerWaalsContact C-N 3.29Å; F244-E246 PolarHBondContact O-N 3.17Å; F244-E247 PolarHBondContact O-N 2.63Å; F244-E247 VanDerWaalsContact O-N 3.09Å; F244-T248 PolarHBondContact O-N 3.04Å; F244-T248 PolarHBondContact O-OG1 3.15Å; F244-T248 VanDerWaalsContact O-OG1 3.07Å |
| 245 | M | 79.2 | Confident | 81.5 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 176.3 | -70.1 | 179.1 | 171.1 | 0 | 0 | 112.2 | L186 I241 G242 T248 I249 Y265 | L186-M245 HydrophobicContact CD2-CG 3.93Å; I241-M245 HydrophobicContact CG2-CE 3.61Å; I241-M245 HydrophobicContact CG2-CG 4.34Å; I241-M245 HydrophobicContact CG2-SD 3.99Å; I241-M245 VanDerWaalsContact O-CG 3.32Å; I241-M245 WeakPolarHBondContact O-CG 3.15Å; I241-M245 PolarHBondContact O-N 3.18Å; G242-M245 PolarHBondContact O-N 3.08Å; M245-T248 PolarHBondContact O-N 3.39Å; M245-I249 WeakPolarHBondContact O-CB 3.17Å; M245-I249 VanDerWaalsContact O-CD1 3.27Å; M245-I249 WeakPolarHBondContact O-CD1 3.44Å; M245-I249 WeakPolarHBondContact O-CG1 3.22Å; M245-I249 PolarHBondContact O-N 2.85Å; M245-Y265 HydrophobicContact CE-CE1 4.49Å |
| 246 | E | 78.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.8 | -77.5 | 178.1 | -157 | 0 | 0 | 113.1 | K110 G242 K243 F244 R250 H269 | K110-E246 VanDerWaalsContact CD-OE1 3.25Å; K110-E246 WeakPolarHBondContact CD-OE1 3.08Å; K110-E246 VanDerWaalsContact CE-OE1 3.26Å; K110-E246 WeakPolarHBondContact CE-OE1 3.45Å; K110-E246 IonicContact NZ-OE1 2.94Å; K110-E246 PolarHBondContact NZ-OE1 2.72Å; K110-E246 IonicContact NZ-OE2 2.63Å; G242-E246 WeakPolarHBondContact O-CG 3.38Å; G242-E246 PolarHBondContact O-N 3.09Å; K243-E246 WeakPolarHBondContact O-CB 3.09Å; K243-E246 PolarHBondContact O-N 3.49Å; F244-E246 VanDerWaalsContact C-N 3.29Å; F244-E246 PolarHBondContact O-N 3.17Å; E246-R250 WeakPolarHBondContact O-CB 3.31Å; E246-R250 PolarHBondContact O-N 3.47Å; E246-H269 VanDerWaalsContact CD-CE1 3.47Å; E246-H269 IonicContact OE1-CE1 2.74Å; E246-H269 PolarHBondContact OE1-CE1 2.87Å; E246-H269 VanDerWaalsContact OE1-CE1 3.3Å; E246-H269 IonicContact OE1-ND1 2.91Å; E246-H269 IonicContact OE2-CE1 2.7Å |
| 247 | E | 82 | Confident | 81.3 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 175.7 | -74.9 | 168.5 | -167.9 | 0 | 0 | 111.3 | K243 F244 I249 R250 N251 | K243-E247 WeakPolarHBondContact O-CG 3.03Å; K243-E247 PolarHBondContact O-N 2.93Å; F244-E247 PolarHBondContact O-N 2.63Å; F244-E247 VanDerWaalsContact O-N 3.09Å; E247-I249 PolarHBondContact O-N 3.33Å; E247-R250 WeakPolarHBondContact O-CA 3.39Å; E247-R250 WeakPolarHBondContact O-CB 2.92Å; E247-R250 PolarHBondContact O-N 3.07Å; E247-R250 VanDerWaalsContact O-N 3.08Å; E247-N251 VanDerWaalsContact O-CG 3.26Å; E247-N251 PolarHBondContact O-N 3.47Å; E247-N251 PolarHBondContact O-OD1 3.27Å |
| 248 | T | 80.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | L186 E189 F244 M245 R250 N251 H252 | L186-T248 HydrophobicContact CB-CG2 4.15Å; L186-T248 HydrophobicContact CD2-CG2 4.4Å; L186-T248 WeakPolarHBondContact O-CG2 3.28Å; E189-T248 WeakPolarHBondContact OE2-CA 3.37Å; E189-T248 WeakPolarHBondContact OE2-CB 3.47Å; E189-T248 VanDerWaalsContact OE2-CG2 3.23Å; E189-T248 WeakPolarHBondContact OE2-CG2 3.23Å; E189-T248 PolarHBondContact OE2-OG1 3.17Å; F244-T248 PolarHBondContact O-N 3.04Å; F244-T248 PolarHBondContact O-OG1 3.15Å; F244-T248 VanDerWaalsContact O-OG1 3.07Å; M245-T248 PolarHBondContact O-N 3.39Å; T248-R250 VanDerWaalsContact C-N 3.28Å; T248-R250 PolarHBondContact O-N 3.33Å; T248-N251 PolarHBondContact O-N 2.82Å; T248-H252 PolarHBondContact O-CD2 2.63Å; T248-H252 PolarHBondContact O-N 2.81Å |
| 249 | I | 78.7 | Confident | 80.7 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.7 | -66.9 | 159.4 | 0 | 0 | 0 | 110.7 | M245 E247 R253 | M245-I249 WeakPolarHBondContact O-CB 3.17Å; M245-I249 VanDerWaalsContact O-CD1 3.27Å; M245-I249 WeakPolarHBondContact O-CD1 3.44Å; M245-I249 WeakPolarHBondContact O-CG1 3.22Å; M245-I249 PolarHBondContact O-N 2.85Å; E247-I249 PolarHBondContact O-N 3.33Å; I249-R253 WeakPolarHBondContact O-CB 3.1Å; I249-R253 VanDerWaalsContact O-CG 3.31Å; I249-R253 WeakPolarHBondContact O-CG 3.43Å; I249-R253 PolarHBondContact O-N 3.35Å |
| 250 | R | 82.4 | Confident | 80.2 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 50% | 0.502 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 178.3 | -171.8 | -175.6 | -56.9 | 105.8 | 6.2 | 111.2 | E246 E247 T248 R253 S254 | E246-R250 WeakPolarHBondContact O-CB 3.31Å; E246-R250 PolarHBondContact O-N 3.47Å; E247-R250 WeakPolarHBondContact O-CA 3.39Å; E247-R250 WeakPolarHBondContact O-CB 2.92Å; E247-R250 PolarHBondContact O-N 3.07Å; E247-R250 VanDerWaalsContact O-N 3.08Å; T248-R250 VanDerWaalsContact C-N 3.28Å; T248-R250 PolarHBondContact O-N 3.33Å; R250-R253 PolarHBondContact O-N 3.46Å; R250-S254 PolarHBondContact O-N 2.74Å; R250-S254 PolarHBondContact O-OG 2.87Å |
| 251 | N | 83.7 | Confident | 79.7 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 178.2 | -67.6 | -14.1 | 0 | 0 | 0 | 111.8 | E189 E247 T248 R253 S254 N255 | E189-N251 WeakPolarHBondContact OE1-CB 3.29Å; E189-N251 PolarHBondContact OE1-ND2 3.21Å; E247-N251 VanDerWaalsContact O-CG 3.26Å; E247-N251 PolarHBondContact O-N 3.47Å; E247-N251 PolarHBondContact O-OD1 3.27Å; T248-N251 PolarHBondContact O-N 2.82Å; N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 PolarHBondContact O-N 3.28Å; N251-S254 WeakPolarHBondContact CA-OG 3.1Å; N251-S254 PolarHBondContact O-N 3.03Å; N251-S254 PolarHBondContact O-OG 3.12Å; N251-N255 WeakPolarHBondContact O-CB 3.43Å; N251-N255 VanDerWaalsContact O-CG 3.3Å; N251-N255 PolarHBondContact O-N 3.22Å; N251-N255 PolarHBondContact O-ND2 2.62Å |
| 252 | H | 81.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.06 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 175.1 | -80.8 | -66.8 | 0 | 0 | 0 | 112 | L186 T248 N256 T257 V258 | L186-H252 PolarHBondContact O-NE2 3.09Å; T248-H252 PolarHBondContact O-CD2 2.63Å; T248-H252 PolarHBondContact O-N 2.81Å; H252-N256 PolarHBondContact O-N 3.09Å; H252-N256 VanDerWaalsContact O-N 3.14Å; H252-T257 WeakPolarHBondContact CA-OG1 3.25Å; H252-T257 PolarHBondContact ND1-O 3.28Å; H252-T257 VanDerWaalsContact ND1-O 3.09Å; H252-T257 PolarHBondContact ND1-OG1 3.44Å; H252-T257 PolarHBondContact O-N 3.27Å; H252-V258 HydrophobicContact CB-CG2 3.95Å; H252-V258 WeakPolarHBondContact O-CG2 3.33Å; H252-V258 PolarHBondContact O-N 3.32Å |
| 253 | R | 82.1 | Confident | 78.6 | Confident | 113 Ų | 113 | 65 Ų | 65 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 175.7 | -76.1 | 178.9 | -177.2 | -171 | 3 | 112.6 | I249 R250 N251 N255 N256 V258 G266 | I249-R253 WeakPolarHBondContact O-CB 3.1Å; I249-R253 VanDerWaalsContact O-CG 3.31Å; I249-R253 WeakPolarHBondContact O-CG 3.43Å; I249-R253 PolarHBondContact O-N 3.35Å; R250-R253 PolarHBondContact O-N 3.46Å; N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 PolarHBondContact O-N 3.28Å; R253-N255 VanDerWaalsContact C-N 3.28Å; R253-N255 PolarHBondContact O-N 3.47Å; R253-N256 PolarHBondContact O-N 3.39Å; R253-V258 HydrophobicContact CB-CG2 4.37Å; R253-V258 HydrophobicContact CG-CG2 3.77Å; R253-G266 PolarHBondContact NH2-O 2.89Å |
| 254 | S | 86.7 | Confident | 78 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -32.4 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | R250 N251 | R250-S254 PolarHBondContact O-N 2.74Å; R250-S254 PolarHBondContact O-OG 2.87Å; N251-S254 WeakPolarHBondContact CA-OG 3.1Å; N251-S254 PolarHBondContact O-N 3.03Å; N251-S254 PolarHBondContact O-OG 3.12Å |
| 255 | N | 85.2 | Confident | 77.4 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2 | -177.9 | -61 | -24.4 | 0 | 0 | 0 | 113.1 | N251 R253 T257 | N251-N255 WeakPolarHBondContact O-CB 3.43Å; N251-N255 VanDerWaalsContact O-CG 3.3Å; N251-N255 PolarHBondContact O-N 3.22Å; N251-N255 PolarHBondContact O-ND2 2.62Å; R253-N255 VanDerWaalsContact C-N 3.28Å; R253-N255 PolarHBondContact O-N 3.47Å; N255-T257 HydrophobicContact CB-CG2 4.08Å; N255-T257 WeakPolarHBondContact O-CG2 3.28Å; N255-T257 PolarHBondContact O-N 3.14Å |
| 256 | N | 81.6 | Confident | 76.7 | Confident | 150 Ų | 150 | 59.2 Ų | 59.2 | 80% | 0.802 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 34.7 | -173.3 | -67.3 | -37.5 | 0 | 0 | 0 | 113.8 | H252 R253 | H252-N256 PolarHBondContact O-N 3.09Å; H252-N256 VanDerWaalsContact O-N 3.14Å; R253-N256 PolarHBondContact O-N 3.39Å |
| 257 | T | 79.7 | Confident | 76 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -107.1 | 20.7 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | H252 N255 E259 | H252-T257 WeakPolarHBondContact CA-OG1 3.25Å; H252-T257 PolarHBondContact ND1-O 3.28Å; H252-T257 VanDerWaalsContact ND1-O 3.09Å; H252-T257 PolarHBondContact ND1-OG1 3.44Å; H252-T257 PolarHBondContact O-N 3.27Å; N255-T257 HydrophobicContact CB-CG2 4.08Å; N255-T257 WeakPolarHBondContact O-CG2 3.28Å; N255-T257 PolarHBondContact O-N 3.14Å; T257-E259 PolarHBondContact O-N 3.37Å; T257-E259 VanDerWaalsContact O-N 3.14Å | ||
| 258 | V | 74.5 | Confident | 75.2 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | trans | -65.6 | 113.2 | 178 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | H252 R253 Q262 F263 | H252-V258 HydrophobicContact CB-CG2 3.95Å; H252-V258 WeakPolarHBondContact O-CG2 3.33Å; H252-V258 PolarHBondContact O-N 3.32Å; R253-V258 HydrophobicContact CB-CG2 4.37Å; R253-V258 HydrophobicContact CG-CG2 3.77Å; V258-Q262 HydrophobicContact CG1-CB 4.28Å; V258-F263 HydrophobicContact CG1-CB 3.82Å; V258-F263 HydrophobicContact CG1-CD2 4.25Å | ||
| 259 | E | 73.7 | Confident | 74.3 | Confident | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | trans | -95.3 | 176.1 | 169.5 | -27.4 | -168.7 | 137.5 | 0 | 0 | 111.6 | K140 T257 L261 Q262 F263 | K140-E259 IonicContact NZ-OE1 2.71Å; K140-E259 PolarHBondContact NZ-OE1 3.16Å; K140-E259 IonicContact NZ-OE2 3.73Å; K140-E259 PolarHBondContact NZ-OE2 3.37Å; T257-E259 PolarHBondContact O-N 3.37Å; T257-E259 VanDerWaalsContact O-N 3.14Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 2.86Å; E259-Q262 PolarHBondContact O-N 3.26Å; E259-Q262 PolarHBondContact O-OE1 2.91Å; E259-F263 WeakPolarHBondContact O-CB 3.37Å; E259-F263 PolarHBondContact O-N 2.82Å | ||
| 260 | D | 71 | Confident | 73.2 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.3 | -37.4 | -168 | -73.3 | -39.8 | 0 | 0 | 0 | 114.6 | S132 R135 F263 F264 | S132-D260 WeakPolarHBondContact CB-O 3.36Å; S132-D260 PolarHBondContact OG-O 2.99Å; R135-D260 WeakPolarHBondContact CB-OD2 3.42Å; R135-D260 WeakPolarHBondContact CD-OD1 3.07Å; R135-D260 WeakPolarHBondContact CD-OD2 3.45Å; R135-D260 VanDerWaalsContact CG-OD2 3.28Å; R135-D260 WeakPolarHBondContact CG-OD2 3.32Å; R135-D260 IonicContact CZ-OD1 2.83Å; R135-D260 IonicContact NH1-OD1 3.94Å; R135-D260 PolarHBondContact NH1-OD1 3.32Å; D260-F263 WeakPolarHBondContact O-CB 3.48Å; D260-F264 PolarHBondContact O-N 2.98Å |
| 261 | L | 71.3 | Confident | 72.1 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.7 | -35.2 | -177.9 | -71.1 | -178.4 | 0 | 0 | 0 | 112.6 | L129 L136 M184 T185 E259 F263 F264 Y265 | L129-L261 HydrophobicContact CD1-CD2 4.02Å; L136-L261 HydrophobicContact CD2-CD1 3.49Å; L136-L261 VanDerWaalsContact CD2-CD1 3.49Å; L136-L261 HydrophobicContact CD2-CG 4.09Å; M184-L261 HydrophobicContact CB-CD1 4.09Å; M184-L261 WeakPolarHBondContact O-CB 3.42Å; T185-L261 HydrophobicContact CG2-CB 4.36Å; T185-L261 HydrophobicContact CG2-CD1 3.93Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 2.86Å; L261-F263 PolarHBondContact O-N 3.07Å; L261-F264 WeakPolarHBondContact O-CB 3.24Å; L261-F264 PolarHBondContact O-N 3.41Å; L261-Y265 VanDerWaalsContact O-CD2 3.29Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.41Å; L261-Y265 VanDerWaalsContact O-N 3.12Å |
| 262 | Q | 71.6 | Confident | 70.9 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 169.3 | -65.7 | 75.7 | 4.1 | 0 | 0 | 109.8 | T185 V258 E259 Y265 G266 | T185-Q262 WeakPolarHBondContact O-CG 3.19Å; V258-Q262 HydrophobicContact CG1-CB 4.28Å; E259-Q262 PolarHBondContact O-N 3.26Å; E259-Q262 PolarHBondContact O-OE1 2.91Å; Q262-Y265 PolarHBondContact O-N 3.02Å; Q262-G266 PolarHBondContact O-N 2.93Å |
| 263 | F | 64.3 | Low | 69.6 | Low | 104 Ų | 104 | 55.8 Ų | 55.8 | 46% | 0.456 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.1 | -174.3 | -98.6 | 0 | 0 | 0 | 111.7 | V258 E259 D260 L261 Y265 G266 M267 | V258-F263 HydrophobicContact CG1-CB 3.82Å; V258-F263 HydrophobicContact CG1-CD2 4.25Å; E259-F263 WeakPolarHBondContact O-CB 3.37Å; E259-F263 PolarHBondContact O-N 2.82Å; D260-F263 WeakPolarHBondContact O-CB 3.48Å; L261-F263 PolarHBondContact O-N 3.07Å; F263-Y265 PolarHBondContact O-N 3.4Å; F263-G266 CarbonylContact O-C 3.58Å; F263-G266 WeakPolarHBondContact O-CA 3.24Å; F263-G266 PolarHBondContact O-N 2.9Å; F263-M267 HydrophobicContact CD1-CG 3.87Å; F263-M267 HydrophobicContact CE1-CG 3.47Å; F263-M267 VanDerWaalsContact CE1-CG 3.47Å; F263-M267 HydrophobicContact CE1-SD 3.97Å; F263-M267 HydrophobicContact CE2-CG 4.46Å; F263-M267 HydrophobicContact CE2-SD 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.81Å; F263-M267 HydrophobicContact CZ-SD 3.68Å; F263-M267 WeakPolarHBondContact O-CG 3.47Å; F263-M267 PolarHBondContact O-N 3.11Å |
| 264 | F | 69 | Low | 67.9 | Low | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -50.5 | 175.9 | 162.7 | -96.7 | 0 | 0 | 0 | 112 | F113 I125 L129 D260 L261 G266 M267 T268 | F113-F264 HydrophobicContact CD1-CZ 4.01Å; F113-F264 HydrophobicContact CE1-CE2 4.37Å; F113-F264 AromaticContact CE1-CZ 3.73Å; F113-F264 HydrophobicContact CE1-CZ 3.73Å; I125-F264 HydrophobicContact CG2-CD2 4.44Å; I125-F264 HydrophobicContact CG2-CE2 3.45Å; I125-F264 VanDerWaalsContact CG2-CE2 3.45Å; I125-F264 HydrophobicContact CG2-CZ 3.99Å; L129-F264 HydrophobicContact CB-CD2 3.52Å; L129-F264 HydrophobicContact CB-CE2 3.44Å; L129-F264 VanDerWaalsContact CB-CE2 3.44Å; L129-F264 HydrophobicContact CB-CG 4.27Å; L129-F264 HydrophobicContact CB-CZ 4.15Å; L129-F264 HydrophobicContact CD1-CB 4.42Å; L129-F264 HydrophobicContact CD1-CD1 3.73Å; L129-F264 HydrophobicContact CD1-CD2 3.84Å; L129-F264 HydrophobicContact CD1-CE1 3.89Å; L129-F264 HydrophobicContact CD1-CE2 3.97Å; L129-F264 HydrophobicContact CD1-CG 3.7Å; L129-F264 HydrophobicContact CD1-CZ 4.01Å; L129-F264 HydrophobicContact CD2-CE1 4.41Å; L129-F264 HydrophobicContact CD2-CE2 4.04Å; L129-F264 HydrophobicContact CD2-CZ 3.9Å; L129-F264 HydrophobicContact CG-CD2 4.17Å; L129-F264 HydrophobicContact CG-CE2 4Å; L129-F264 HydrophobicContact CG-CZ 4.23Å; D260-F264 PolarHBondContact O-N 2.98Å; L261-F264 WeakPolarHBondContact O-CB 3.24Å; L261-F264 PolarHBondContact O-N 3.41Å; F264-G266 VanDerWaalsContact C-N 3.27Å; F264-G266 PolarHBondContact O-N 3.46Å; F264-M267 WeakPolarHBondContact O-CB 3.26Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-T268 HydrophobicContact CD1-CG2 4.43Å; F264-T268 HydrophobicContact CD2-CG2 4.1Å; F264-T268 HydrophobicContact CE1-CG2 3.95Å; F264-T268 HydrophobicContact CE2-CG2 3.59Å; F264-T268 HydrophobicContact CG-CG2 4.5Å; F264-T268 HydrophobicContact CZ-CG2 3.5Å; F264-T268 VanDerWaalsContact O-CG2 3.26Å; F264-T268 WeakPolarHBondContact O-CG2 3.34Å; F264-T268 PolarHBondContact O-N 3.41Å |
| 265 | Y | 67.5 | Low | 66.2 | Low | 62 Ų | 62 | 57.3 Ų | 57.3 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 177 | -75.5 | -77.5 | 0 | 0 | 0 | 112.1 | T185 M245 L261 Q262 F263 M267 T268 H269 | T185-Y265 HydrophobicContact CG2-CE2 3.68Å; M245-Y265 HydrophobicContact CE-CE1 4.49Å; L261-Y265 VanDerWaalsContact O-CD2 3.29Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.41Å; L261-Y265 VanDerWaalsContact O-N 3.12Å; Q262-Y265 PolarHBondContact O-N 3.02Å; F263-Y265 PolarHBondContact O-N 3.4Å; Y265-M267 VanDerWaalsContact C-N 3.31Å; Y265-M267 PolarHBondContact O-N 2.88Å; Y265-T268 PolarHBondContact O-N 3.4Å; Y265-T268 PolarHBondContact O-OG1 2.83Å; Y265-H269 PolarHBondContact O-N 3.44Å |
| 266 | G | 65 | Low | 64.2 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R253 Q262 F263 F264 L270 | R253-G266 PolarHBondContact NH2-O 2.89Å; Q262-G266 PolarHBondContact O-N 2.93Å; F263-G266 CarbonylContact O-C 3.58Å; F263-G266 WeakPolarHBondContact O-CA 3.24Å; F263-G266 PolarHBondContact O-N 2.9Å; F264-G266 VanDerWaalsContact C-N 3.27Å; F264-G266 PolarHBondContact O-N 3.46Å; G266-L270 WeakPolarHBondContact O-CG 3.3Å; G266-L270 PolarHBondContact O-N 3.39Å |
| 267 | M | 63.5 | Low | 62 | Low | 26 Ų | 26 | 58 Ų | 58 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.2 | -38.8 | 179.1 | -72.4 | -55.4 | -65.7 | 0 | 0 | 112.5 | F124 F263 F264 Y265 H269 L270 C271 | F124-M267 HydrophobicContact CE1-CE 3.4Å; F124-M267 VanDerWaalsContact CE1-CE 3.4Å; F124-M267 HydrophobicContact CZ-CE 3.66Å; F263-M267 HydrophobicContact CD1-CG 3.87Å; F263-M267 HydrophobicContact CE1-CG 3.47Å; F263-M267 VanDerWaalsContact CE1-CG 3.47Å; F263-M267 HydrophobicContact CE1-SD 3.97Å; F263-M267 HydrophobicContact CE2-CG 4.46Å; F263-M267 HydrophobicContact CE2-SD 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.81Å; F263-M267 HydrophobicContact CZ-SD 3.68Å; F263-M267 WeakPolarHBondContact O-CG 3.47Å; F263-M267 PolarHBondContact O-N 3.11Å; F264-M267 WeakPolarHBondContact O-CB 3.26Å; F264-M267 PolarHBondContact O-N 2.85Å; Y265-M267 VanDerWaalsContact C-N 3.31Å; Y265-M267 PolarHBondContact O-N 2.88Å; M267-H269 VanDerWaalsContact C-N 3.28Å; M267-H269 PolarHBondContact O-N 2.87Å; M267-L270 PolarHBondContact O-N 3.47Å; M267-L270 VanDerWaalsContact O-N 3.12Å; M267-L270 HydrophobicContact SD-CD1 3.97Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.36Å |
| 268 | T | 64.7 | Low | 60.2 | Low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.1 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | G111 I125 F264 Y265 L270 C271 E272 | G111-T268 WeakPolarHBondContact CA-OG1 3.22Å; I125-T268 HydrophobicContact CD1-CG2 4.28Å; I125-T268 HydrophobicContact CG1-CG2 4.26Å; I125-T268 HydrophobicContact CG2-CG2 3.54Å; F264-T268 HydrophobicContact CD1-CG2 4.43Å; F264-T268 HydrophobicContact CD2-CG2 4.1Å; F264-T268 HydrophobicContact CE1-CG2 3.95Å; F264-T268 HydrophobicContact CE2-CG2 3.59Å; F264-T268 HydrophobicContact CG-CG2 4.5Å; F264-T268 HydrophobicContact CZ-CG2 3.5Å; F264-T268 VanDerWaalsContact O-CG2 3.26Å; F264-T268 WeakPolarHBondContact O-CG2 3.34Å; F264-T268 PolarHBondContact O-N 3.41Å; Y265-T268 PolarHBondContact O-N 3.4Å; Y265-T268 PolarHBondContact O-OG1 2.83Å; T268-L270 PolarHBondContact O-N 2.85Å; T268-C271 PolarHBondContact O-N 2.88Å; T268-E272 PolarHBondContact O-N 3.38Å |
| 269 | H | 61.5 | Low | 58.6 | Low | 32 Ų | 32 | 65 Ų | 65 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 171.5 | -169.7 | 94.9 | 0 | 0 | 0 | 113.3 | K110 E246 Y265 M267 | K110-H269 WeakPolarHBondContact CD-CE1 3.28Å; K110-H269 VanDerWaalsContact CD-ND1 3.27Å; K110-H269 WeakPolarHBondContact CD-ND1 3.33Å; K110-H269 PolarHBondContact NZ-CE1 3.32Å; E246-H269 VanDerWaalsContact CD-CE1 3.47Å; E246-H269 IonicContact OE1-CE1 2.74Å; E246-H269 PolarHBondContact OE1-CE1 2.87Å; E246-H269 VanDerWaalsContact OE1-CE1 3.3Å; E246-H269 IonicContact OE1-ND1 2.91Å; E246-H269 IonicContact OE2-CE1 2.7Å; Y265-H269 PolarHBondContact O-N 3.44Å; M267-H269 VanDerWaalsContact C-N 3.28Å; M267-H269 PolarHBondContact O-N 2.87Å |
| 270 | L | 57.5 | Low | 56.9 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.2 | -75.4 | 170 | 0 | 0 | 0 | 112.2 | G266 M267 T268 E272 R273 F274 | G266-L270 WeakPolarHBondContact O-CG 3.3Å; G266-L270 PolarHBondContact O-N 3.39Å; M267-L270 PolarHBondContact O-N 3.47Å; M267-L270 VanDerWaalsContact O-N 3.12Å; M267-L270 HydrophobicContact SD-CD1 3.97Å; T268-L270 PolarHBondContact O-N 2.85Å; L270-E272 PolarHBondContact O-N 3.35Å; L270-R273 WeakPolarHBondContact O-CB 3.44Å; L270-R273 PolarHBondContact O-N 2.86Å; L270-F274 WeakPolarHBondContact O-CD2 3.49Å; L270-F274 PolarHBondContact O-N 3.33Å |
| 271 | C | 59.2 | Low | 55.2 | Low | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.7 | -31.1 | 178.9 | -73.7 | 0 | 0 | 0 | 0 | 112.9 | I125 M267 T268 F274 K275 | I125-C271 HydrophobicContact CD1-CB 3.86Å; I125-C271 HydrophobicContact CG1-CB 4.38Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.36Å; T268-C271 PolarHBondContact O-N 2.88Å; C271-F274 PolarHBondContact O-N 2.95Å; C271-K275 PolarHBondContact O-N 3.29Å |
| 272 | E | 58.1 | Low | 53.4 | Low | 43 Ų | 43 | 75.7 Ų | 75.7 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -72.7 | -29.5 | 174.3 | -76.4 | -179.6 | -169.2 | 0 | 0 | 113.5 | K110 G111 T268 L270 F274 K275 | K110-E272 WeakPolarHBondContact CA-OE2 3.29Å; K110-E272 WeakPolarHBondContact CB-OE2 3.4Å; K110-E272 WeakPolarHBondContact CG-OE2 3.3Å; G111-E272 PolarHBondContact N-OE1 2.88Å; T268-E272 PolarHBondContact O-N 3.38Å; L270-E272 PolarHBondContact O-N 3.35Å; E272-F274 PolarHBondContact O-N 3.45Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-K275 VanDerWaalsContact O-N 3.14Å |
| 273 | R | 54.3 | Low | 51.3 | Low | 146 Ų | 146 | 80.6 Ų | 80.6 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.5 | -34.4 | 171.7 | -73.3 | -173.1 | 173.2 | -163.6 | -3.9 | 111.6 | L270 K275 R276 | L270-R273 WeakPolarHBondContact O-CB 3.44Å; L270-R273 PolarHBondContact O-N 2.86Å; R273-K275 VanDerWaalsContact C-N 3.3Å; R273-K275 PolarHBondContact O-N 3.43Å; R273-R276 PolarHBondContact O-N 2.89Å |
| 274 | F | 45.6 | Very low | 50 | Low | 105 Ų | 105 | 80.6 Ų | 80.6 | 46% | 0.461 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.7 | -20.5 | 175.6 | -70.4 | -76.2 | 0 | 0 | 0 | 113.9 | L270 C271 E272 R276 F287 | L270-F274 WeakPolarHBondContact O-CD2 3.49Å; L270-F274 PolarHBondContact O-N 3.33Å; C271-F274 PolarHBondContact O-N 2.95Å; E272-F274 PolarHBondContact O-N 3.45Å; F274-R276 VanDerWaalsContact C-N 3.26Å; F274-R276 PolarHBondContact O-N 3Å; F274-F287 HydrophobicContact CE1-CE2 4.48Å; F274-F287 HydrophobicContact CE2-CE2 4.48Å; F274-F287 HydrophobicContact CE2-CZ 4.18Å; F274-F287 AromaticContact CZ-CE2 3.68Å; F274-F287 HydrophobicContact CZ-CE2 3.68Å; F274-F287 AromaticContact CZ-CZ 3.74Å; F274-F287 HydrophobicContact CZ-CZ 3.74Å |
| 275 | K | 52.5 | Low | 48.4 | Very low | 122 Ų | 122 | 83.8 Ų | 83.8 | 53% | 0.53 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.3 | 173.3 | -71.8 | -175.3 | 178.3 | 177.1 | 0 | 113.4 | C271 E272 R273 P277 | C271-K275 PolarHBondContact O-N 3.29Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-K275 VanDerWaalsContact O-N 3.14Å; R273-K275 VanDerWaalsContact C-N 3.3Å; R273-K275 PolarHBondContact O-N 3.43Å; K275-P277 WeakPolarHBondContact O-CD 3.25Å |
| 276 | R | 43 | Very low | 46.9 | Very low | 166 Ų | 166 | 87.3 Ų | 87.3 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -81.6 | 116.8 | 173.6 | -67 | -167.9 | -178.9 | -155.6 | -0.9 | 109.4 | R273 F274 Q278 L279 | R273-R276 PolarHBondContact O-N 2.89Å; F274-R276 VanDerWaalsContact C-N 3.26Å; F274-R276 PolarHBondContact O-N 3Å; R276-Q278 PolarHBondContact O-N 3.4Å; R276-L279 PolarHBondContact O-N 3.45Å; R276-L279 VanDerWaalsContact O-N 3.16Å |
| 277 | P | 35.2 | Very low | 45.6 | Very low | 105 Ų | 105 | 92.5 Ų | 92.5 | 68% | 0.682 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -56.6 | -21.5 | -177.5 | -24.2 | 32.5 | 0 | 0 | 0 | 114.4 | K275 L279 T280 | K275-P277 WeakPolarHBondContact O-CD 3.25Å; P277-L279 VanDerWaalsContact C-N 3.28Å; P277-L279 PolarHBondContact O-N 2.93Å; P277-T280 WeakPolarHBondContact O-CG2 3.36Å; P277-T280 PolarHBondContact O-OG1 3.28Å |
| 278 | Q | 41.3 | Very low | 43.8 | Very low | 187 Ų | 187 | 100.1 Ų | 100.1 | 87% | 0.874 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -79.1 | -3 | -176 | -53.5 | -169.8 | 10.1 | 0 | 0 | 114.2 | R276 | R276-Q278 PolarHBondContact O-N 3.4Š|
| 279 | L | 41 | Very low | 42.5 | Very low | 91 Ų | 91 | 109.8 Ų | 109.8 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -116.8 | 16 | -179.8 | -68.6 | 170 | 0 | 0 | 0 | 113.4 | R276 P277 G281 | R276-L279 PolarHBondContact O-N 3.45Å; R276-L279 VanDerWaalsContact O-N 3.16Å; P277-L279 VanDerWaalsContact C-N 3.28Å; P277-L279 PolarHBondContact O-N 2.93Å; L279-G281 PolarHBondContact O-N 2.91Å |
| 280 | T | 37.8 | Very low | 40.8 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 7.3 | -176.3 | 46.3 | 0 | 0 | 0 | 0 | 115.3 | P277 | P277-T280 WeakPolarHBondContact O-CG2 3.36Å; P277-T280 PolarHBondContact O-OG1 3.28Å |
| 281 | G | 34.9 | Very low | 39.8 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 78% | 0.784 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L279 N283 | L279-G281 PolarHBondContact O-N 2.91Å; G281-N283 PolarHBondContact O-N 3.42Å |
| 282 | M | 33.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 64% | 0.64 | 63% | 0.634 | S | S | * | * | trans | -85.9 | 106.9 | 177.7 | -83 | -176.2 | 157.7 | 0 | 0 | 111.2 | ||||
| 283 | N | 28.6 | Very low | 37.1 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | trans | -65.7 | 141.6 | -179.4 | -155.5 | -9.6 | 0 | 0 | 0 | 111.5 | G281 S285 H286 | G281-N283 PolarHBondContact O-N 3.42Å; N283-S285 PolarHBondContact O-N 3.34Å; N283-H286 PolarHBondContact O-N 2.96Å; N283-H286 VanDerWaalsContact O-N 3.12Å | ||
| 284 | S | 36.4 | Very low | 36.3 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -57.8 | -16.1 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 114 | H286 F287 | S284-H286 PolarHBondContact O-N 3.32Å; S284-F287 PolarHBondContact O-N 3.38Å |
| 285 | S | 35.2 | Very low | 35.8 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 52% | 0.517 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -67.6 | -11.7 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | N283 F287 | N283-S285 PolarHBondContact O-N 3.34Å; S285-F287 PolarHBondContact O-N 3.01Å |
| 286 | H | 36.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -80.4 | -0.8 | 173.5 | -75.8 | 10.9 | 0 | 0 | 0 | 114.2 | N283 S284 | N283-H286 PolarHBondContact O-N 2.96Å; N283-H286 VanDerWaalsContact O-N 3.12Å; S284-H286 PolarHBondContact O-N 3.32Å |
| 287 | F | 37.3 | Very low | 34.4 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 48% | 0.478 | 73% | 0.73 | S | S | . | * | trans | -113 | 50.7 | 176.6 | -70.2 | -90.6 | 0 | 0 | 0 | 112 | F274 S284 S285 W289 | F274-F287 HydrophobicContact CE1-CE2 4.48Å; F274-F287 HydrophobicContact CE2-CE2 4.48Å; F274-F287 HydrophobicContact CE2-CZ 4.18Å; F274-F287 AromaticContact CZ-CE2 3.68Å; F274-F287 HydrophobicContact CZ-CE2 3.68Å; F274-F287 AromaticContact CZ-CZ 3.74Å; F274-F287 HydrophobicContact CZ-CZ 3.74Å; S284-F287 PolarHBondContact O-N 3.38Å; S285-F287 PolarHBondContact O-N 3.01Å; F287-W289 VanDerWaalsContact C-N 3.28Å; F287-W289 AromaticContact CD1-CD1 3.74Å; F287-W289 AromaticContact CD1-NE1 3.71Å; F287-W289 PolarHBondContact O-N 3.32Å | ||
| 288 | Q | 25.8 | Very low | 34.3 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -79 | 83.7 | 154.5 | -81.3 | -159.1 | -29.1 | 0 | 0 | 108.8 | ||||
| 289 | W | 37.7 | Very low | 33.8 | Very low | 205 Ų | 205 | 128.1 Ų | 128.1 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | trans | -98.3 | 103.8 | 165.6 | -69.3 | 94.8 | 0 | 0 | 0 | 108.4 | F287 V291 | F287-W289 VanDerWaalsContact C-N 3.28Å; F287-W289 AromaticContact CD1-CD1 3.74Å; F287-W289 AromaticContact CD1-NE1 3.71Å; F287-W289 PolarHBondContact O-N 3.32Å; W289-V291 PolarHBondContact O-N 3.35Å | ||
| 290 | K | 26.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | -56.2 | 102.7 | 162.1 | -95.7 | -178.2 | 161.7 | -156.2 | 0 | 107.9 | E292 | K290-E292 VanDerWaalsContact C-N 3.35Å; K290-E292 HydrophobicContact CB-CG 4.39Å; K290-E292 HydrophobicContact CD-CG 4.4Å; K290-E292 WeakPolarHBondContact CD-OE1 3.44Å; K290-E292 WeakPolarHBondContact CE-OE1 3.47Å; K290-E292 IonicContact NZ-OE1 2.75Å; K290-E292 PolarHBondContact NZ-OE1 3.4Å; K290-E292 PolarHBondContact O-N 3.45Å | ||
| 291 | V | 35.4 | Very low | 33 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -86.5 | 89.3 | 157 | -176.4 | 0 | 0 | 0 | 0 | 104.7 | W289 | W289-V291 PolarHBondContact O-N 3.35Š| ||
| 292 | E | 30.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | trans | -76.7 | 122.8 | 166.9 | -73.5 | 178.1 | 177.3 | 0 | 0 | 107.7 | K290 | K290-E292 VanDerWaalsContact C-N 3.35Å; K290-E292 HydrophobicContact CB-CG 4.39Å; K290-E292 HydrophobicContact CD-CG 4.4Å; K290-E292 WeakPolarHBondContact CD-OE1 3.44Å; K290-E292 WeakPolarHBondContact CE-OE1 3.47Å; K290-E292 IonicContact NZ-OE1 2.75Å; K290-E292 PolarHBondContact NZ-OE1 3.4Å; K290-E292 PolarHBondContact O-N 3.45Å | ||
| 293 | G | 30.8 | Very low | 32.7 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 100% | 1.474 | 75% | 0.746 | S | S | * | * | trans | 69.5 | 0 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.8 |
Retrieved 293 of 293 residues in 465.1 ms
(Link to these results)