| 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 | 49.3 | Very low | 53.2 | Low | 234 Ų | 234 | 125.4 Ų | 125.4 | 100% | 1.153 | 64% | 0.64 | S | S | * | * | 0 | 40.8 | 0 | -146.8 | 172.6 | -163.2 | 0 | 0 | 110.3 | |||||
| 2 | T | 48.5 | Very low | 53.3 | Low | 101 Ų | 101 | 121.7 Ų | 121.7 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | trans | -125.8 | -29.3 | -165.3 | 33.8 | 0 | 0 | 0 | 0 | 112.2 | F4 S5 | T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.83Å; T2-S5 PolarHBondContact O-N 2.8Å | ||
| 3 | D | 50.4 | Low | 53.3 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.1 | -17.1 | -172 | -47.1 | -68.8 | 0 | 0 | 0 | 114.1 | S5 T6 I7 | D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.44Å; D3-T6 PolarHBondContact O-OG1 3.28Å; D3-I7 WeakPolarHBondContact O-CG1 3.32Å |
| 4 | F | 50.9 | Low | 53 | Low | 184 Ų | 184 | 116.4 Ų | 116.4 | 81% | 0.807 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -24.5 | 171.4 | -88 | -84.3 | 0 | 0 | 0 | 112.9 | T2 Y8 | T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.83Å; F4-Y8 PolarHBondContact O-N 3.17Å |
| 5 | S | 55.6 | Low | 52.4 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.4 | -34.6 | -178.1 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | T2 D3 K9 | T2-S5 PolarHBondContact O-N 2.8Å; D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.44Å; S5-K9 WeakPolarHBondContact O-CG 3.48Å; S5-K9 PolarHBondContact O-N 3.18Å |
| 6 | T | 54.9 | Low | 51.9 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.4 | -41.7 | 178.2 | 36.1 | 0 | 0 | 0 | 0 | 111.9 | D3 K9 L10 | D3-T6 PolarHBondContact O-OG1 3.28Å; T6-K9 PolarHBondContact O-N 3.12Å; T6-L10 WeakPolarHBondContact O-CB 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 2.96Å |
| 7 | I | 58.8 | Low | 50.9 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 54% | 0.544 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.3 | -46.3 | 176.1 | -62.8 | 170.2 | 0 | 0 | 0 | 110.3 | D3 K9 L10 S11 | D3-I7 WeakPolarHBondContact O-CG1 3.32Å; I7-K9 VanDerWaalsContact C-N 3.35Å; I7-K9 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 2.89Å; I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.72Å; I7-S11 VanDerWaalsContact O-OG 3.07Å |
| 8 | Y | 54.9 | Low | 50 | Low | 175 Ų | 175 | 117.6 Ų | 117.6 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -37 | 179.5 | -146.4 | -95.3 | 0 | 0 | 0 | 112.7 | F4 S11 I12 | F4-Y8 PolarHBondContact O-N 3.17Å; Y8-S11 PolarHBondContact O-N 3.28Å; Y8-I12 HydrophobicContact CD1-CD1 3.66Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.85Å; Y8-I12 HydrophobicContact CE1-CG1 4.46Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 3.13Å |
| 9 | K | 53.6 | Low | 49.2 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 59% | 0.587 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.6 | -40.8 | 174.1 | -75.8 | 178.5 | 179.4 | -177.4 | 0 | 112.7 | S5 T6 I7 I12 I13 | S5-K9 WeakPolarHBondContact O-CG 3.48Å; S5-K9 PolarHBondContact O-N 3.18Å; T6-K9 PolarHBondContact O-N 3.12Å; I7-K9 VanDerWaalsContact C-N 3.35Å; I7-K9 PolarHBondContact O-N 3.11Å; K9-I12 PolarHBondContact O-N 3.08Å; K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.36Å; K9-I13 PolarHBondContact O-N 2.79Å |
| 10 | L | 53.8 | Low | 48.5 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 62% | 0.618 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.9 | -40.3 | 174.2 | -78.2 | 163.5 | 0 | 0 | 0 | 111.6 | T6 I7 I13 A14 | T6-L10 WeakPolarHBondContact O-CB 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 2.99Å; L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 2.73Å |
| 11 | S | 54.8 | Low | 47.9 | Very low | 67 Ų | 67 | 116.6 Ų | 116.6 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 173.4 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | I7 Y8 A14 F15 | I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.72Å; I7-S11 VanDerWaalsContact O-OG 3.07Å; Y8-S11 PolarHBondContact O-N 3.28Å; S11-A14 PolarHBondContact O-N 2.74Å; S11-F15 WeakPolarHBondContact O-CB 3.34Å; S11-F15 PolarHBondContact O-N 2.9Å |
| 12 | I | 54 | Low | 47.3 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 42% | 0.415 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.9 | -40.1 | 175.6 | -71.3 | 168 | 0 | 0 | 0 | 111.6 | Y8 K9 F15 I16 | Y8-I12 HydrophobicContact CD1-CD1 3.66Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.85Å; Y8-I12 HydrophobicContact CE1-CG1 4.46Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 3.13Å; K9-I12 PolarHBondContact O-N 3.08Å; I12-F15 PolarHBondContact O-N 3.04Å; I12-I16 HydrophobicContact CG2-CD1 3.68Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.28Å |
| 13 | I | 52.9 | Low | 46.9 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 59% | 0.59 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.3 | -39.1 | 176.1 | -67.6 | 164.5 | 0 | 0 | 0 | 110.8 | K9 L10 G17 | K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.36Å; K9-I13 PolarHBondContact O-N 2.79Å; L10-I13 PolarHBondContact O-N 2.99Å; I13-G17 PolarHBondContact O-N 2.98Å |
| 14 | A | 49.1 | Very low | 47 | Very low | 55 Ų | 55 | 109.9 Ų | 109.9 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -40.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | L10 S11 G17 F18 | L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 2.73Å; S11-A14 PolarHBondContact O-N 2.74Å; A14-G17 CarbonylContact O-C 3.5Å; A14-G17 PolarHBondContact O-N 3.01Å; A14-F18 WeakPolarHBondContact O-CD2 3.38Å; A14-F18 PolarHBondContact O-N 3.1Å |
| 15 | F | 44.1 | Very low | 48.2 | Very low | 142 Ų | 142 | 105.2 Ų | 105.2 | 62% | 0.623 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.6 | -37.6 | 178.6 | -147.3 | -107.4 | 0 | 0 | 0 | 112.2 | S11 I12 F18 I19 | S11-F15 WeakPolarHBondContact O-CB 3.34Å; S11-F15 PolarHBondContact O-N 2.9Å; I12-F15 PolarHBondContact O-N 3.04Å; F15-F18 CarbonylContact O-C 3.57Å; F15-F18 PolarHBondContact O-N 2.94Å; F15-I19 HydrophobicContact CD1-CD1 3.5Å; F15-I19 VanDerWaalsContact CD1-CD1 3.5Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 3.56Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 WeakPolarHBondContact O-CB 3.27Å; F15-I19 WeakPolarHBondContact O-CG1 3.46Å; F15-I19 PolarHBondContact O-N 3.38Å |
| 16 | I | 45.3 | Very low | 49.6 | Very low | 110 Ų | 110 | 103 Ų | 103 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 171.3 | -67.4 | 167.7 | 0 | 0 | 0 | 110.5 | I12 F18 I19 Q20 | I12-I16 HydrophobicContact CG2-CD1 3.68Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.28Å; I16-F18 PolarHBondContact O-N 2.88Å; I16-I19 CarbonylContact O-C 3.55Å; I16-I19 PolarHBondContact O-N 2.96Å; I16-Q20 PolarHBondContact O-N 3.13Å |
| 17 | G | 34.1 | Very low | 51.1 | Low | 48 Ų | 48 | 99.2 Ų | 99.2 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.4 | -22.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I13 A14 | I13-G17 PolarHBondContact O-N 2.98Å; A14-G17 CarbonylContact O-C 3.5Å; A14-G17 PolarHBondContact O-N 3.01Å |
| 18 | F | 34.8 | Very low | 52.6 | Low | 187 Ų | 187 | 97.7 Ų | 97.7 | 82% | 0.82 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -91.4 | -20.3 | 171.7 | -95.6 | -86.4 | 0 | 0 | 0 | 113.8 | A14 F15 I16 Q20 | A14-F18 WeakPolarHBondContact O-CD2 3.38Å; A14-F18 PolarHBondContact O-N 3.1Å; F15-F18 CarbonylContact O-C 3.57Å; F15-F18 PolarHBondContact O-N 2.94Å; I16-F18 PolarHBondContact O-N 2.88Å; F18-Q20 VanDerWaalsContact C-N 3.34Å |
| 19 | I | 35.1 | Very low | 54.2 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 61% | 0.605 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -92 | 2.1 | 172.5 | -65.9 | 169.4 | 0 | 0 | 0 | 111.5 | F15 I16 G21 | F15-I19 HydrophobicContact CD1-CD1 3.5Å; F15-I19 VanDerWaalsContact CD1-CD1 3.5Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 3.56Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 WeakPolarHBondContact O-CB 3.27Å; F15-I19 WeakPolarHBondContact O-CG1 3.46Å; F15-I19 PolarHBondContact O-N 3.38Å; I16-I19 CarbonylContact O-C 3.55Å; I16-I19 PolarHBondContact O-N 2.96Å; I19-G21 PolarHBondContact O-N 3.25Å |
| 20 | Q | 35.4 | Very low | 56 | Low | 155 Ų | 155 | 87 Ų | 87 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -71.5 | 77.1 | 160.2 | -160.6 | 156.2 | -2.1 | 0 | 0 | 108.5 | I16 F18 C22 | I16-Q20 PolarHBondContact O-N 3.13Å; F18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-C22 PolarHBondContact O-N 2.84Å |
| 21 | G | 35.9 | Very low | 57.9 | Low | 58 Ų | 58 | 81.6 Ų | 81.6 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | trans | -47.2 | 134.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I19 S23 | I19-G21 PolarHBondContact O-N 3.25Å; G21-S23 PolarHBondContact O-N 3.41Å | ||
| 22 | C | 35.5 | Very low | 59.8 | Low | 112 Ų | 112 | 83.8 Ų | 83.8 | 76% | 0.757 | 48% | 0.478 | S | S | * | . | trans | -55.6 | 108.9 | -165.7 | -153.1 | 0 | 0 | 0 | 0 | 110 | Q20 C24 | Q20-C22 PolarHBondContact O-N 2.84Å; C22-C24 PolarHBondContact O-N 2.88Å | ||
| 23 | S | 41.7 | Very low | 61.7 | Low | 119 Ų | 119 | 80.2 Ų | 80.2 | 83% | 0.832 | 46% | 0.46 | S | S | * | . | trans | -71 | 60 | 163.8 | -72.4 | 0 | 0 | 0 | 0 | 109.2 | G21 S25 | G21-S23 PolarHBondContact O-N 3.41Å; S23-S25 VanDerWaalsContact C-N 3.25Å; S23-S25 PolarHBondContact O-N 2.81Å | ||
| 24 | C | 52.5 | Low | 63.6 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | trans | -61.7 | 94.9 | 160.9 | -91.2 | 0 | 0 | 0 | 0 | 106.5 | C22 C26 | C22-C24 PolarHBondContact O-N 2.88Å; C24-C26 PolarHBondContact O-N 3.37Å; C24-C26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | S | 75.3 | Confident | 65.4 | Low | 87 Ų | 87 | 76.6 Ų | 76.6 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 118.7 | 161.9 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | S23 N96 | S23-S25 VanDerWaalsContact C-N 3.25Å; S23-S25 PolarHBondContact O-N 2.81Å; S25-N96 PolarHBondContact O-ND2 2.92Å |
| 26 | C | 85 | Confident | 67 | Low | 21 Ų | 21 | 76.7 Ų | 76.7 | 14% | 0.142 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 152.7 | 172 | -61.5 | 0 | 0 | 0 | 0 | 109.5 | C24 I57 C91 | C24-C26 PolarHBondContact O-N 3.37Å; C24-C26 VanDerWaalsContact O-N 3.08Å; C26-I57 HydrophobicContact CB-CB 3.9Å; C26-I57 HydrophobicContact CB-CG2 3.85Å; C26-I57 VanDerWaalsContact CB-O 3.24Å; C26-I57 WeakPolarHBondContact CB-O 3.27Å; C26-C91 HydrophobicContact CB-CB 3.91Å; C26-C91 WeakPolarHBondContact CB-SG 3.41Å; C26-C91 WeakPolarHBondContact SG-CB 3.44Å; C26-C91 CovalentContact SG-SG 2.04Å; C26-C91 PolarHBondContact SG-SG 2.94Å |
| 27 | P | 87.3 | Confident | 68.1 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 156.8 | -175.3 | 28.2 | -34.2 | 0 | 0 | 0 | 112.7 | M29 I57 L90 L95 N96 | P27-M29 HydrophobicContact CB-CG 3.67Å; P27-M29 HydrophobicContact CB-SD 4.4Å; P27-M29 HydrophobicContact CG-CE 4.19Å; P27-M29 HydrophobicContact CG-CG 3.8Å; P27-M29 HydrophobicContact CG-SD 3.97Å; P27-I57 HydrophobicContact CG-CB 4.41Å; P27-I57 HydrophobicContact CG-CG1 4Å; P27-I57 WeakPolarHBondContact O-CB 3.12Å; P27-I57 WeakPolarHBondContact O-CG1 3.41Å; P27-I57 PolarHBondContact O-N 3.03Å; P27-L90 VanDerWaalsContact CD-O 3.24Å; P27-L90 WeakPolarHBondContact CD-O 3.28Å; P27-L90 VanDerWaalsContact CG-O 3.26Å; P27-L90 WeakPolarHBondContact CG-O 3.46Å; P27-L95 VanDerWaalsContact CB-O 3.3Å; P27-L95 WeakPolarHBondContact CB-O 3.3Å; P27-L95 HydrophobicContact CG-CB 4.33Å; P27-N96 HydrophobicContact CB-CB 3.74Å; P27-N96 HydrophobicContact CG-CB 4.34Å |
| 28 | V | 88.8 | Confident | 69.2 | Low | 73 Ų | 73 | 80.9 Ų | 80.9 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.5 | 152.9 | -178.9 | 0 | 0 | 0 | 0 | 106.4 | L54 L55 | V28-L54 HydrophobicContact CG1-CD1 3.79Å; V28-L54 HydrophobicContact CG1-CD2 4.07Å; V28-L54 HydrophobicContact CG1-CG 3.81Å; V28-L55 CarbonylContact C-O 3.52Å; V28-L55 VanDerWaalsContact CA-O 3.26Å; V28-L55 WeakPolarHBondContact CA-O 3.14Å |
| 29 | M | 89.4 | Confident | 70.1 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.3 | -172.4 | -63.8 | -167.6 | -73.6 | 0 | 0 | 111.9 | P27 L54 L55 I57 L95 P105 F144 | P27-M29 HydrophobicContact CB-CG 3.67Å; P27-M29 HydrophobicContact CB-SD 4.4Å; P27-M29 HydrophobicContact CG-CE 4.19Å; P27-M29 HydrophobicContact CG-CG 3.8Å; P27-M29 HydrophobicContact CG-SD 3.97Å; M29-L54 CarbonylContact O-C 3.25Å; M29-L54 WeakPolarHBondContact O-CA 3.44Å; M29-L55 HydrophobicContact CB-CB 4.46Å; M29-L55 PolarHBondContact N-O 3.11Å; M29-L55 PolarHBondContact O-N 3.19Å; M29-I57 HydrophobicContact CE-CD1 3.88Å; M29-I57 HydrophobicContact CE-CG1 3.79Å; M29-L95 HydrophobicContact SD-CB 3.97Å; M29-L95 HydrophobicContact SD-CD2 4.27Å; M29-P105 HydrophobicContact SD-CG 4.38Å; M29-F144 HydrophobicContact CE-CD1 3.54Å; M29-F144 HydrophobicContact CE-CE1 3.44Å; M29-F144 VanDerWaalsContact CE-CE1 3.44Å; M29-F144 HydrophobicContact CE-CZ 4.42Å; M29-F144 HydrophobicContact SD-CD1 4.19Å |
| 30 | E | 91.1 | Very high | 70.9 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 38% | 0.383 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132.4 | 164.2 | -73.9 | 166.5 | -135.9 | 0 | 0 | 109.2 | S53 L54 I75 K104 | E30-S53 WeakPolarHBondContact CA-O 3.49Å; E30-L54 HydrophobicContact CG-CD1 3.91Å; E30-I75 HydrophobicContact CG-CD1 4.32Å; E30-K104 IonicContact OE1-NZ 3.42Å; E30-K104 PolarHBondContact OE1-NZ 2.82Å; E30-K104 IonicContact OE2-NZ 3.51Å; E30-K104 PolarHBondContact OE2-NZ 3.45Å |
| 31 | C | 93.9 | Very high | 71.4 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.027 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.5 | -174.7 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | S53 L55 C107 I109 | C31-S53 VanDerWaalsContact CB-OG 3.31Å; C31-S53 WeakPolarHBondContact CB-OG 3.38Å; C31-S53 PolarHBondContact N-O 3.04Å; C31-S53 PolarHBondContact O-N 3.42Å; C31-S53 PolarHBondContact O-OG 3.1Å; C31-L55 HydrophobicContact CB-CG 4.42Å; C31-L55 WeakPolarHBondContact SG-CD1 3.4Å; C31-C107 HydrophobicContact CB-CB 3.71Å; C31-C107 WeakPolarHBondContact CB-SG 3.47Å; C31-C107 WeakPolarHBondContact SG-CB 3.43Å; C31-C107 CovalentContact SG-SG 2.02Å; C31-C107 PolarHBondContact SG-SG 2.84Å; C31-I109 HydrophobicContact CB-CD1 3.71Å; C31-I109 HydrophobicContact CB-CG1 4.02Å |
| 32 | W | 94.9 | Very high | 72 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 43% | 0.428 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.9 | 169.5 | -66 | 103.2 | 0 | 0 | 0 | 110 | V34 Q50 K52 C107 E108 I109 | W32-V34 HydrophobicContact CB-CG2 4.13Å; W32-V34 PolarHBondContact O-N 2.67Å; W32-Q50 HydrophobicContact CE3-CB 4.15Å; W32-K52 HydrophobicContact CE3-CG 4.24Å; W32-K52 HydrophobicContact CH2-CG 3.83Å; W32-K52 HydrophobicContact CZ3-CG 3.6Å; W32-C107 PolarHBondContact N-O 2.96Å; W32-E108 CarbonylContact O-C 3.59Å; W32-E108 WeakPolarHBondContact O-CA 3.41Å; W32-I109 PolarHBondContact O-N 3.11Å |
| 33 | F | 93.9 | Very high | 72.8 | Confident | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.026 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.3 | 165.2 | -177.8 | -90 | 0 | 0 | 0 | 108.1 | Q35 Q50 E51 R79 Y81 I109 P111 F140 | F33-Q35 HydrophobicContact CE1-CB 3.98Å; F33-Q50 WeakPolarHBondContact O-CA 3.4Å; F33-E51 HydrophobicContact CB-CB 4.48Å; F33-E51 PolarHBondContact N-O 3.32Å; F33-E51 PolarHBondContact O-N 3.34Å; F33-R79 VanDerWaalsContact CE1-NH2 3.34Å; F33-Y81 HydrophobicContact CD2-CE2 4.44Å; F33-I109 CarbonylContact C-O 3.54Å; F33-I109 WeakPolarHBondContact CA-O 3.42Å; F33-I109 HydrophobicContact CD2-CB 4.38Å; F33-I109 HydrophobicContact CD2-CG2 4.2Å; F33-P111 HydrophobicContact CE2-CG 4.27Å; F33-P111 HydrophobicContact CZ-CG 3.71Å; F33-F140 HydrophobicContact CE2-CD1 4.13Å; F33-F140 AromaticContact CE2-CE1 3.9Å; F33-F140 HydrophobicContact CE2-CE1 3.9Å |
| 34 | V | 92.8 | Very high | 73 | Confident | 9 Ų | 9 | 78 Ų | 78 | 6% | 0.055 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.5 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | W32 T49 Q50 E108 I109 N110 P111 | W32-V34 HydrophobicContact CB-CG2 4.13Å; W32-V34 PolarHBondContact O-N 2.67Å; V34-T49 WeakPolarHBondContact CA-O 3.19Å; V34-Q50 HydrophobicContact CG2-CG 4.06Å; V34-E108 HydrophobicContact CB-CG 4.2Å; V34-E108 HydrophobicContact CG2-CG 3.54Å; V34-I109 PolarHBondContact N-O 2.96Å; V34-N110 WeakPolarHBondContact CB-OD1 3.35Å; V34-N110 PolarHBondContact O-OD1 2.87Å; V34-P111 WeakPolarHBondContact O-CD 3.2Å |
| 35 | Q | 87.2 | Confident | 73.1 | Confident | 84 Ų | 84 | 81 Ų | 81 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 127.2 | 178.4 | -172.3 | 171 | 20.5 | 0 | 0 | 110.3 | F33 T49 P111 | F33-Q35 HydrophobicContact CE1-CB 3.98Å; Q35-T49 PolarHBondContact N-O 3.17Å; Q35-T49 PolarHBondContact O-N 2.64Å; Q35-T49 PolarHBondContact O-OG1 3.09Å; Q35-T49 VanDerWaalsContact O-OG1 3.11Å; Q35-P111 HydrophobicContact CG-CG 4.37Å |
| 36 | E | 78.3 | Confident | 72.3 | Confident | 145 Ų | 145 | 78 Ų | 78 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 125 | 167.8 | -62.3 | -166.7 | 157.7 | 0 | 0 | 109.8 | T48 | E36-T48 HydrophobicContact CG-CG2 4.08Å |
| 37 | K | 66.8 | Low | 71.5 | Confident | 116 Ų | 116 | 80.5 Ų | 80.5 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 137.2 | 167.4 | -72.6 | 177.9 | 170.7 | 168.5 | 0 | 109.3 | G39 G46 A47 T49 | K37-G39 PolarHBondContact O-N 2.86Å; K37-G39 VanDerWaalsContact O-N 3.17Å; K37-G46 WeakPolarHBondContact O-CA 3.26Å; K37-A47 WeakPolarHBondContact CB-O 3.4Å; K37-A47 PolarHBondContact N-O 2.93Å; K37-T49 HydrophobicContact CD-CG2 4.1Å; K37-T49 VanDerWaalsContact NZ-CG2 3.26Å |
| 38 | P | 57.8 | Low | 71.1 | Confident | 129 Ų | 129 | 84.4 Ų | 84.4 | 84% | 0.838 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 123.5 | 171.2 | 24.1 | -32.4 | 0 | 0 | 0 | 109.8 | ||
| 39 | G | 53.1 | Low | 70.9 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | K37 G41 | K37-G39 PolarHBondContact O-N 2.86Å; K37-G39 VanDerWaalsContact O-N 3.17Å; G39-G41 PolarHBondContact O-N 2.81Å |
| 40 | R | 51.8 | Low | 71 | Confident | 260 Ų | 260 | 88 Ų | 88 | 98% | 0.981 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -78.4 | 55.9 | -173.6 | -158.7 | -176.8 | -170.8 | -179.6 | 3.9 | 112.7 | ||
| 41 | G | 46.9 | Very low | 71.1 | Confident | 71 Ų | 71 | 87.6 Ų | 87.6 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 78.8 | 133.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G39 | G39-G41 PolarHBondContact O-N 2.81Š|
| 42 | G | 47.7 | Very low | 71 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 72% | 0.722 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 92.6 | 67.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L44 | G42-L44 PolarHBondContact O-N 2.8Š|
| 43 | G | 52.1 | Low | 70.9 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 95% | 0.948 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 67.6 | -8.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 44 | L | 47.3 | Very low | 70.9 | Confident | 152 Ų | 152 | 85.9 Ų | 85.9 | 80% | 0.796 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -91.3 | 139.1 | 174.5 | -66 | 174.8 | 0 | 0 | 0 | 110.7 | G42 G46 | G42-L44 PolarHBondContact O-N 2.8Å; L44-G46 PolarHBondContact O-N 2.9Å |
| 45 | T | 53.8 | Low | 70.9 | Confident | 138 Ų | 138 | 85.5 Ų | 85.5 | 85% | 0.847 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 134.1 | 170.1 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 46 | G | 58.3 | Low | 71.2 | Confident | 22 Ų | 22 | 82.7 Ų | 82.7 | 23% | 0.227 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 159.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | K37 L44 T48 | K37-G46 WeakPolarHBondContact O-CA 3.26Å; L44-G46 PolarHBondContact O-N 2.9Å; G46-T48 PolarHBondContact O-N 2.82Å |
| 47 | A | 68.1 | Low | 71.9 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 62% | 0.62 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 124.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K37 | K37-A47 WeakPolarHBondContact CB-O 3.4Å; K37-A47 PolarHBondContact N-O 2.93Å |
| 48 | T | 78.5 | Confident | 73.1 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.7 | 170.1 | 40.8 | 0 | 0 | 0 | 0 | 110.2 | E36 G46 | E36-T48 HydrophobicContact CG-CG2 4.08Å; G46-T48 PolarHBondContact O-N 2.82Å |
| 49 | T | 86.3 | Confident | 74.7 | Confident | 31 Ų | 31 | 69 Ų | 69 | 19% | 0.19 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.8 | 166.7 | 30.6 | 0 | 0 | 0 | 0 | 110.1 | V34 Q35 K37 | V34-T49 WeakPolarHBondContact CA-O 3.19Å; Q35-T49 PolarHBondContact N-O 3.17Å; Q35-T49 PolarHBondContact O-N 2.64Å; Q35-T49 PolarHBondContact O-OG1 3.09Å; Q35-T49 VanDerWaalsContact O-OG1 3.11Å; K37-T49 HydrophobicContact CD-CG2 4.1Å; K37-T49 VanDerWaalsContact NZ-CG2 3.26Å |
| 50 | Q | 90.3 | Very high | 76.3 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126 | 174.8 | -55.3 | -171.3 | -27.3 | 0 | 0 | 108.3 | W32 F33 V34 | W32-Q50 HydrophobicContact CE3-CB 4.15Å; F33-Q50 WeakPolarHBondContact O-CA 3.4Å; V34-Q50 HydrophobicContact CG2-CG 4.06Å |
| 51 | E | 92.4 | Very high | 77.7 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.1 | -180 | -69.3 | 173.5 | -166.4 | 0 | 0 | 108.9 | F33 R79 | F33-E51 HydrophobicContact CB-CB 4.48Å; F33-E51 PolarHBondContact N-O 3.32Å; F33-E51 PolarHBondContact O-N 3.34Å; E51-R79 IonicContact OE1-NH2 3.88Å; E51-R79 IonicContact OE2-CZ 3.31Å; E51-R79 IonicContact OE2-NE 3.11Å; E51-R79 PolarHBondContact OE2-NE 3.44Å; E51-R79 IonicContact OE2-NH2 2.74Å; E51-R79 PolarHBondContact OE2-NH2 2.86Å |
| 52 | K | 93.1 | Very high | 78.9 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.3 | 174.4 | -68.7 | -170.6 | 178.7 | -168.7 | 0 | 109.8 | W32 D74 I75 R79 | W32-K52 HydrophobicContact CE3-CG 4.24Å; W32-K52 HydrophobicContact CH2-CG 3.83Å; W32-K52 HydrophobicContact CZ3-CG 3.6Å; K52-D74 IonicContact NZ-OD2 2.72Å; K52-D74 PolarHBondContact NZ-OD2 2.91Å; K52-I75 HydrophobicContact CB-CG1 4.11Å; K52-R79 VanDerWaalsContact O-CB 3.27Å; K52-R79 WeakPolarHBondContact O-CB 3.2Å |
| 53 | S | 93.6 | Very high | 79.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.1 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | E30 C31 R79 | E30-S53 WeakPolarHBondContact CA-O 3.49Å; C31-S53 VanDerWaalsContact CB-OG 3.31Å; C31-S53 WeakPolarHBondContact CB-OG 3.38Å; C31-S53 PolarHBondContact N-O 3.04Å; C31-S53 PolarHBondContact O-N 3.42Å; C31-S53 PolarHBondContact O-OG 3.1Å; S53-R79 CarbonylContact C-O 3.58Å; S53-R79 WeakPolarHBondContact CA-O 3.4Å; S53-R79 WeakPolarHBondContact CB-O 3.17Å |
| 54 | L | 92.9 | Very high | 80.3 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130 | 179 | -164.2 | 71.2 | 0 | 0 | 0 | 109.2 | V28 M29 E30 D71 I75 R79 V80 Y81 | V28-L54 HydrophobicContact CG1-CD1 3.79Å; V28-L54 HydrophobicContact CG1-CD2 4.07Å; V28-L54 HydrophobicContact CG1-CG 3.81Å; M29-L54 CarbonylContact O-C 3.25Å; M29-L54 WeakPolarHBondContact O-CA 3.44Å; E30-L54 HydrophobicContact CG-CD1 3.91Å; L54-D71 HydrophobicContact CD2-CB 4.23Å; L54-I75 HydrophobicContact CB-CD1 3.95Å; L54-I75 HydrophobicContact CB-CG2 4.36Å; L54-I75 HydrophobicContact CD1-CD1 3.96Å; L54-I75 HydrophobicContact CG-CD1 4.43Å; L54-R79 PolarHBondContact N-O 2.9Å; L54-V80 HydrophobicContact CB-CG1 4.4Å; L54-V80 HydrophobicContact CB-CG2 4.2Å; L54-V80 WeakPolarHBondContact O-CA 3.35Å; L54-Y81 PolarHBondContact O-N 3.21Å |
| 55 | L | 93.6 | Very high | 80.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.4 | 177.8 | -62.9 | -170.5 | 0 | 0 | 0 | 110.9 | V28 M29 C31 I57 Y81 I83 I109 F144 | V28-L55 CarbonylContact C-O 3.52Å; V28-L55 VanDerWaalsContact CA-O 3.26Å; V28-L55 WeakPolarHBondContact CA-O 3.14Å; M29-L55 HydrophobicContact CB-CB 4.46Å; M29-L55 PolarHBondContact N-O 3.11Å; M29-L55 PolarHBondContact O-N 3.19Å; C31-L55 HydrophobicContact CB-CG 4.42Å; C31-L55 WeakPolarHBondContact SG-CD1 3.4Å; L55-I57 HydrophobicContact CB-CD1 3.97Å; L55-I57 HydrophobicContact CD1-CD1 4.37Å; L55-Y81 WeakPolarHBondContact CA-O 3.34Å; L55-Y81 HydrophobicContact CD2-CD2 3.87Å; L55-Y81 HydrophobicContact CD2-CG 4.26Å; L55-I83 HydrophobicContact CB-CG1 4.23Å; L55-I83 HydrophobicContact CD1-CG1 4.1Å; L55-I83 HydrophobicContact CD2-CD1 3.82Å; L55-I83 HydrophobicContact CD2-CG1 3.81Å; L55-I83 HydrophobicContact CG-CG1 4.28Å; L55-I109 HydrophobicContact CD1-CD1 3.87Å; L55-I109 HydrophobicContact CD1-CG1 4.48Å; L55-I109 HydrophobicContact CD2-CD1 3.63Å; L55-I109 HydrophobicContact CG-CD1 3.91Å; L55-F144 HydrophobicContact CD1-CE1 3.73Å; L55-F144 HydrophobicContact CD1-CZ 4.01Å |
| 56 | H | 92.3 | Very high | 80.6 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.5 | 166.8 | -61.5 | -99.3 | 0 | 0 | 0 | 108.4 | V65 D71 Y81 V82 I83 | H56-V65 HydrophobicContact CB-CG1 4.21Å; H56-D71 IonicContact CE1-OD1 3.96Å; H56-D71 IonicContact NE2-OD1 1.85Å; H56-Y81 PolarHBondContact N-O 2.92Å; H56-V82 HydrophobicContact CB-CG2 4.4Å; H56-V82 WeakPolarHBondContact O-CA 3.22Å; H56-I83 PolarHBondContact O-N 2.65Å |
| 57 | I | 93 | Very high | 80.2 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 136.2 | 179.4 | -51.4 | -51.4 | 0 | 0 | 0 | 109.8 | C26 P27 M29 L55 I83 L90 | C26-I57 HydrophobicContact CB-CB 3.9Å; C26-I57 HydrophobicContact CB-CG2 3.85Å; C26-I57 VanDerWaalsContact CB-O 3.24Å; C26-I57 WeakPolarHBondContact CB-O 3.27Å; P27-I57 HydrophobicContact CG-CB 4.41Å; P27-I57 HydrophobicContact CG-CG1 4Å; P27-I57 WeakPolarHBondContact O-CB 3.12Å; P27-I57 WeakPolarHBondContact O-CG1 3.41Å; P27-I57 PolarHBondContact O-N 3.03Å; M29-I57 HydrophobicContact CE-CD1 3.88Å; M29-I57 HydrophobicContact CE-CG1 3.79Å; L55-I57 HydrophobicContact CB-CD1 3.97Å; L55-I57 HydrophobicContact CD1-CD1 4.37Å; I57-I83 HydrophobicContact CD1-CB 3.67Å; I57-I83 HydrophobicContact CD1-CG1 3.8Å; I57-I83 HydrophobicContact CD1-CG2 4.25Å; I57-L90 HydrophobicContact CD1-CB 4.49Å; I57-L90 HydrophobicContact CD1-CD1 3.97Å; I57-L90 HydrophobicContact CG1-CB 4.36Å; I57-L90 HydrophobicContact CG2-CB 3.7Å |
| 58 | R | 92 | Very high | 79.2 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.7 | 171.8 | 65.2 | 179.7 | -176.9 | -175.1 | -10.5 | 110.7 | D60 K61 V82 I83 T84 D85 E165 | R58-D60 WeakPolarHBondContact CD-O 3.47Å; R58-K61 PolarHBondContact NH1-O 3Å; R58-V82 HydrophobicContact CG-CG1 4.41Å; R58-I83 PolarHBondContact N-O 3.15Å; R58-T84 HydrophobicContact CG-CG2 4.32Å; R58-T84 PolarHBondContact NE-OG1 3.24Å; R58-T84 PolarHBondContact NH2-OG1 2.94Å; R58-T84 VanDerWaalsContact NH2-OG1 3.14Å; R58-T84 CarbonylContact O-C 3.51Å; R58-T84 WeakPolarHBondContact O-CA 3.25Å; R58-D85 PolarHBondContact O-N 3.05Å; R58-E165 IonicContact CZ-OE2 2.66Å; R58-E165 IonicContact NH1-OE2 3.99Å; R58-E165 IonicContact NH2-OE2 3.37Å; R58-E165 PolarHBondContact NH2-OE2 3.16Å |
| 59 | T | 91.5 | Very high | 78.2 | Confident | 61 Ų | 61 | 70 Ų | 70 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -86.9 | -28.7 | 176 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | D85 P86 A88 | T59-D85 WeakPolarHBondContact CA-O 3.31Å; T59-P86 WeakPolarHBondContact O-CA 3.45Å; T59-A88 HydrophobicContact CG2-CB 3.69Å |
| 60 | D | 86.8 | Confident | 77.4 | Confident | 89 Ų | 89 | 80 Ų | 80 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | trans | -135.5 | 143.9 | -178.5 | 179 | 14.9 | 0 | 0 | 0 | 110.4 | R58 Q62 S63 | R58-D60 WeakPolarHBondContact CD-O 3.47Å; D60-Q62 PolarHBondContact O-N 3.23Å; D60-Q62 PolarHBondContact OD1-N 3.3Å; D60-Q62 WeakPolarHBondContact OD2-CB 3.47Å; D60-S63 PolarHBondContact O-N 2.78Å; D60-S63 VanDerWaalsContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 2.9Å | ||
| 61 | K | 80.4 | Confident | 76.7 | Confident | 112 Ų | 112 | 77.9 Ų | 77.9 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.3 | 175.4 | -61.4 | -169.4 | 175.8 | -168.9 | 0 | 112.7 | R58 S63 T84 D167 | R58-K61 PolarHBondContact NH1-O 3Å; K61-S63 VanDerWaalsContact C-N 3.3Å; K61-T84 HydrophobicContact CG-CG2 3.85Å; K61-D167 WeakPolarHBondContact CE-OD1 3.41Å; K61-D167 WeakPolarHBondContact CE-OD2 3.24Å; K61-D167 IonicContact NZ-OD1 2.73Å; K61-D167 PolarHBondContact NZ-OD1 3.29Å; K61-D167 VanDerWaalsContact NZ-OD1 3.11Å; K61-D167 IonicContact NZ-OD2 3.81Å; K61-D167 PolarHBondContact NZ-OD2 3.33Å |
| 62 | Q | 73.9 | Confident | 76.2 | Confident | 160 Ų | 160 | 76.5 Ų | 76.5 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.4 | 178.7 | -163.7 | 54.7 | 74.3 | 0 | 0 | 113.5 | D60 D64 | D60-Q62 PolarHBondContact O-N 3.23Å; D60-Q62 PolarHBondContact OD1-N 3.3Å; D60-Q62 WeakPolarHBondContact OD2-CB 3.47Å; Q62-D64 PolarHBondContact O-N 2.94Å |
| 63 | S | 68.2 | Low | 75.4 | Confident | 45 Ų | 45 | 79 Ų | 79 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -76.1 | 119.5 | 175 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | D60 K61 V65 | D60-S63 PolarHBondContact O-N 2.78Å; D60-S63 VanDerWaalsContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 2.9Å; K61-S63 VanDerWaalsContact C-N 3.3Å; S63-V65 PolarHBondContact O-N 2.87Å |
| 64 | D | 59.8 | Low | 75 | Confident | 145 Ų | 145 | 83.3 Ų | 83.3 | 78% | 0.775 | 46% | 0.462 | S | S | * | . | trans | -61.3 | 126.8 | 174.1 | -89.6 | -32.8 | 0 | 0 | 0 | 109.9 | Q62 T66 | Q62-D64 PolarHBondContact O-N 2.94Å; D64-T66 PolarHBondContact O-N 2.96Å | ||
| 65 | V | 58.6 | Low | 74.8 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.418 | 46% | 0.464 | S | S | . | . | trans | -61.5 | 107.4 | 161 | -179.2 | 0 | 0 | 0 | 0 | 105.9 | H56 S63 G67 V82 | H56-V65 HydrophobicContact CB-CG1 4.21Å; S63-V65 PolarHBondContact O-N 2.87Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.85Å; V65-V82 HydrophobicContact CG2-CG1 4.2Å | ||
| 66 | T | 50.1 | Low | 74.5 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 73% | 0.73 | 48% | 0.482 | S | S | * | . | trans | -68.9 | 83.7 | -171.4 | 35.9 | 0 | 0 | 0 | 0 | 111.4 | D64 S68 | D64-T66 PolarHBondContact O-N 2.96Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-OG 2.82Å | ||
| 67 | G | 49.3 | Very low | 74.3 | Confident | 79 Ų | 79 | 90.4 Ų | 90.4 | 81% | 0.814 | 51% | 0.505 | S | S | * | . | trans | -63 | 82.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V65 | V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.85Å | ||
| 68 | S | 47.2 | Very low | 74.1 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 69% | 0.685 | 53% | 0.527 | S | S | * | . | trans | -133.2 | -0.1 | 171 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | T66 | T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-OG 2.82Å | ||
| 69 | Q | 57.8 | Low | 74.1 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -113.1 | 133.5 | 169 | -87.2 | 179 | -78.5 | 0 | 0 | 109.7 | R99 | Q69-R99 VanDerWaalsContact OE1-NE 3.08Š|
| 70 | R | 67.8 | Low | 74.1 | Confident | 242 Ų | 242 | 93.3 Ų | 93.3 | 91% | 0.913 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 131.8 | 168.3 | 178.4 | -178.6 | -83.5 | 177.1 | -7.6 | 107.4 | ||
| 71 | D | 77.3 | Confident | 74.4 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.4 | -178.9 | -54.9 | -27.4 | 0 | 0 | 0 | 111.5 | L54 H56 S73 | L54-D71 HydrophobicContact CD2-CB 4.23Å; H56-D71 IonicContact CE1-OD1 3.96Å; H56-D71 IonicContact NE2-OD1 1.85Å; D71-S73 PolarHBondContact O-N 3.46Å |
| 72 | P | 80.4 | Confident | 75.1 | Confident | 45 Ų | 45 | 85.8 Ų | 85.8 | 29% | 0.292 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 129.5 | 176.6 | -21.9 | 34 | 0 | 0 | 0 | 111.1 | D74 I75 | P72-D74 WeakPolarHBondContact CB-OD1 3.21Å; P72-D74 PolarHBondContact O-N 2.87Å; P72-D74 VanDerWaalsContact O-N 3.09Å; P72-I75 HydrophobicContact CB-CD1 4.03Å; P72-I75 HydrophobicContact CB-CG1 4.16Å; P72-I75 HydrophobicContact CG-CD1 3.89Å; P72-I75 PolarHBondContact O-N 2.93Å; P72-I75 VanDerWaalsContact O-N 3.17Å |
| 73 | S | 77.5 | Confident | 76.1 | Confident | 130 Ų | 130 | 78.3 Ų | 78.3 | 91% | 0.909 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.1 | -175.7 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | D71 | D71-S73 PolarHBondContact O-N 3.46Š|
| 74 | D | 85.4 | Confident | 77.4 | Confident | 93 Ų | 93 | 76.4 Ų | 76.4 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.4 | 176.3 | 66.5 | -53.6 | 0 | 0 | 0 | 113.7 | K52 P72 | K52-D74 IonicContact NZ-OD2 2.72Å; K52-D74 PolarHBondContact NZ-OD2 2.91Å; P72-D74 WeakPolarHBondContact CB-OD1 3.21Å; P72-D74 PolarHBondContact O-N 2.87Å; P72-D74 VanDerWaalsContact O-N 3.09Å |
| 75 | I | 87.7 | Confident | 79.1 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -105.6 | 134.4 | 175 | -59.4 | -179 | 0 | 0 | 0 | 109.2 | E30 K52 L54 P72 V80 | E30-I75 HydrophobicContact CG-CD1 4.32Å; K52-I75 HydrophobicContact CB-CG1 4.11Å; L54-I75 HydrophobicContact CB-CD1 3.95Å; L54-I75 HydrophobicContact CB-CG2 4.36Å; L54-I75 HydrophobicContact CD1-CD1 3.96Å; L54-I75 HydrophobicContact CG-CD1 4.43Å; P72-I75 HydrophobicContact CB-CD1 4.03Å; P72-I75 HydrophobicContact CB-CG1 4.16Å; P72-I75 HydrophobicContact CG-CD1 3.89Å; P72-I75 PolarHBondContact O-N 2.93Å; P72-I75 VanDerWaalsContact O-N 3.17Å; I75-V80 HydrophobicContact CG2-CG2 4.19Å |
| 76 | D | 88.1 | Confident | 80.7 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 40% | 0.401 | 40% | 0.4 | S | S | . | . | trans | -66.8 | 127.3 | 173.9 | -174.5 | -33 | 0 | 0 | 0 | 109.3 | N78 R79 | D76-N78 PolarHBondContact O-N 2.72Å; D76-N78 VanDerWaalsContact OD1-CB 3.27Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.89Å; D76-N78 PolarHBondContact OD1-ND2 2.86Å; D76-N78 VanDerWaalsContact OD1-ND2 3.08Å; D76-R79 HydrophobicContact CB-CG 4.15Å; D76-R79 WeakPolarHBondContact O-CA 3.49Å; D76-R79 PolarHBondContact O-N 2.72Å | ||
| 77 | P | 87.5 | Confident | 82.7 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 60% | 0.597 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -53.9 | -20.9 | 175.3 | -27.8 | 36.1 | 0 | 0 | 0 | 114.9 | R79 K164 | P77-R79 VanDerWaalsContact C-N 3.28Å; P77-K164 PolarHBondContact O-NZ 3.07Å |
| 78 | N | 88.9 | Confident | 84.8 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -77.2 | -11.6 | 174 | -61.1 | -47.1 | 0 | 0 | 0 | 114.2 | D76 | D76-N78 PolarHBondContact O-N 2.72Å; D76-N78 VanDerWaalsContact OD1-CB 3.27Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.89Å; D76-N78 PolarHBondContact OD1-ND2 2.86Å; D76-N78 VanDerWaalsContact OD1-ND2 3.08Å |
| 79 | R | 91.2 | Very high | 86.9 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -108.9 | 16.7 | 177.2 | -57.6 | -55.5 | -172.1 | -176.4 | 3.7 | 113 | F33 E51 K52 S53 L54 D76 P77 Y81 | F33-R79 VanDerWaalsContact CE1-NH2 3.34Å; E51-R79 IonicContact OE1-NH2 3.88Å; E51-R79 IonicContact OE2-CZ 3.31Å; E51-R79 IonicContact OE2-NE 3.11Å; E51-R79 PolarHBondContact OE2-NE 3.44Å; E51-R79 IonicContact OE2-NH2 2.74Å; E51-R79 PolarHBondContact OE2-NH2 2.86Å; K52-R79 VanDerWaalsContact O-CB 3.27Å; K52-R79 WeakPolarHBondContact O-CB 3.2Å; S53-R79 CarbonylContact C-O 3.58Å; S53-R79 WeakPolarHBondContact CA-O 3.4Å; S53-R79 WeakPolarHBondContact CB-O 3.17Å; L54-R79 PolarHBondContact N-O 2.9Å; D76-R79 HydrophobicContact CB-CG 4.15Å; D76-R79 WeakPolarHBondContact O-CA 3.49Å; D76-R79 PolarHBondContact O-N 2.72Å; P77-R79 VanDerWaalsContact C-N 3.28Å; R79-Y81 HydrophobicContact CB-CE2 4.5Å; R79-Y81 WeakPolarHBondContact CD-OH 3.35Å; R79-Y81 PolarHBondContact NH1-OH 2.82Å; R79-Y81 VanDerWaalsContact NH1-OH 3.13Å |
| 80 | V | 92.7 | Very high | 88.6 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.7 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | L54 I75 K164 | L54-V80 HydrophobicContact CB-CG1 4.4Å; L54-V80 HydrophobicContact CB-CG2 4.2Å; L54-V80 WeakPolarHBondContact O-CA 3.35Å; I75-V80 HydrophobicContact CG2-CG2 4.19Å; V80-K164 WeakPolarHBondContact O-CD 3.41Å |
| 81 | Y | 93.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.6 | -176.5 | -50.7 | -77.3 | 0 | 0 | 0 | 111 | F33 L54 L55 H56 R79 I109 K164 H166 | F33-Y81 HydrophobicContact CD2-CE2 4.44Å; L54-Y81 PolarHBondContact O-N 3.21Å; L55-Y81 WeakPolarHBondContact CA-O 3.34Å; L55-Y81 HydrophobicContact CD2-CD2 3.87Å; L55-Y81 HydrophobicContact CD2-CG 4.26Å; H56-Y81 PolarHBondContact N-O 2.92Å; R79-Y81 HydrophobicContact CB-CE2 4.5Å; R79-Y81 WeakPolarHBondContact CD-OH 3.35Å; R79-Y81 PolarHBondContact NH1-OH 2.82Å; R79-Y81 VanDerWaalsContact NH1-OH 3.13Å; Y81-I109 HydrophobicContact CD2-CD1 4.49Å; Y81-K164 WeakPolarHBondContact CA-O 3.33Å; Y81-K164 HydrophobicContact CD1-CB 4.36Å; Y81-H166 AromaticContact CD1-CE1 3.82Å; Y81-H166 AromaticContact CD1-NE2 3.2Å; Y81-H166 WeakPolarHBondContact CD1-NE2 3.39Å; Y81-H166 AromaticContact CE1-NE2 3.76Å; Y81-H166 AromaticContact CG-NE2 3.78Å |
| 82 | V | 93.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.2 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | H56 R58 V65 K164 E165 H166 | H56-V82 HydrophobicContact CB-CG2 4.4Å; H56-V82 WeakPolarHBondContact O-CA 3.22Å; R58-V82 HydrophobicContact CG-CG1 4.41Å; V65-V82 HydrophobicContact CG2-CG1 4.2Å; V82-K164 PolarHBondContact N-O 3.08Å; V82-E165 HydrophobicContact CB-CG 4.38Å; V82-E165 WeakPolarHBondContact O-CA 3.41Å; V82-H166 PolarHBondContact O-N 2.66Å |
| 83 | I | 95.3 | Very high | 91 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.3 | -176.1 | -47.6 | -57.8 | 0 | 0 | 0 | 109.3 | L55 H56 I57 R58 L90 H166 V168 | L55-I83 HydrophobicContact CB-CG1 4.23Å; L55-I83 HydrophobicContact CD1-CG1 4.1Å; L55-I83 HydrophobicContact CD2-CD1 3.82Å; L55-I83 HydrophobicContact CD2-CG1 3.81Å; L55-I83 HydrophobicContact CG-CG1 4.28Å; H56-I83 PolarHBondContact O-N 2.65Å; I57-I83 HydrophobicContact CD1-CB 3.67Å; I57-I83 HydrophobicContact CD1-CG1 3.8Å; I57-I83 HydrophobicContact CD1-CG2 4.25Å; R58-I83 PolarHBondContact N-O 3.15Å; I83-L90 HydrophobicContact CG2-CD1 4.05Å; I83-H166 WeakPolarHBondContact CA-O 3.36Å; I83-H166 HydrophobicContact CD1-CB 3.59Å; I83-V168 HydrophobicContact CG2-CG2 3.66Å |
| 84 | T | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 114.1 | 169.2 | -36.5 | 0 | 0 | 0 | 0 | 109.1 | R58 K61 H166 D167 V168 | R58-T84 HydrophobicContact CG-CG2 4.32Å; R58-T84 PolarHBondContact NE-OG1 3.24Å; R58-T84 PolarHBondContact NH2-OG1 2.94Å; R58-T84 VanDerWaalsContact NH2-OG1 3.14Å; R58-T84 CarbonylContact O-C 3.51Å; R58-T84 WeakPolarHBondContact O-CA 3.25Å; K61-T84 HydrophobicContact CG-CG2 3.85Å; T84-H166 PolarHBondContact N-O 2.83Å; T84-D167 WeakPolarHBondContact CB-OD1 3.45Å; T84-D167 PolarHBondContact OG1-OD1 3.21Å; T84-V168 WeakPolarHBondContact O-CG2 3.26Å; T84-V168 PolarHBondContact O-N 3.43Å |
| 85 | D | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -119.6 | 90 | 173.7 | 175.6 | 21.8 | 0 | 0 | 0 | 110.9 | R58 T59 S87 A88 N89 L90 V168 | R58-D85 PolarHBondContact O-N 3.05Å; T59-D85 WeakPolarHBondContact CA-O 3.31Å; D85-S87 PolarHBondContact O-N 3Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 WeakPolarHBondContact OD1-CB 2.98Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 VanDerWaalsContact OD1-N 3.08Å; D85-S87 PolarHBondContact OD1-OG 3.26Å; D85-A88 PolarHBondContact O-N 3.25Å; D85-N89 PolarHBondContact OD2-N 2.72Å; D85-L90 HydrophobicContact CB-CB 4.42Å; D85-L90 HydrophobicContact CB-CD1 4.11Å; D85-L90 HydrophobicContact CB-CG 4.35Å; D85-L90 WeakPolarHBondContact OD2-CB 3.46Å; D85-L90 WeakPolarHBondContact OD2-CG 3.47Å; D85-L90 PolarHBondContact OD2-N 2.9Å; D85-V168 HydrophobicContact CB-CG2 4.07Å | ||
| 86 | P | 93.6 | Very high | 92 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.7 | 177.8 | -23 | 34.7 | 0 | 0 | 0 | 114 | T59 A88 W194 | T59-P86 WeakPolarHBondContact O-CA 3.45Å; P86-A88 PolarHBondContact O-N 2.76Å; P86-W194 HydrophobicContact CB-CH2 3.96Å; P86-W194 HydrophobicContact CB-CZ2 3.94Å; P86-W194 HydrophobicContact CG-CH2 3.91Å; P86-W194 HydrophobicContact CG-CZ2 4.37Å |
| 87 | S | 91.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.5 | 177.4 | 76.9 | 0 | 0 | 0 | 0 | 113.5 | D85 N89 | D85-S87 PolarHBondContact O-N 3Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 WeakPolarHBondContact OD1-CB 2.98Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 VanDerWaalsContact OD1-N 3.08Å; D85-S87 PolarHBondContact OD1-OG 3.26Å; S87-N89 WeakPolarHBondContact CB-ND2 3.46Å; S87-N89 PolarHBondContact O-N 2.98Å; S87-N89 WeakPolarHBondContact OG-CB 3.48Å; S87-N89 PolarHBondContact OG-ND2 2.99Å |
| 88 | A | 92.9 | Very high | 91.5 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | trans | 56.2 | 12.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T59 D85 P86 L90 C91 | T59-A88 HydrophobicContact CG2-CB 3.69Å; D85-A88 PolarHBondContact O-N 3.25Å; P86-A88 PolarHBondContact O-N 2.76Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 2.95Å; A88-C91 WeakPolarHBondContact O-CB 3.49Å; A88-C91 PolarHBondContact O-N 2.87Å | ||
| 89 | N | 91.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.2 | -34.2 | 179.8 | -78.7 | -41.9 | 0 | 0 | 0 | 112.2 | D85 S87 C91 T173 | D85-N89 PolarHBondContact OD2-N 2.72Å; S87-N89 WeakPolarHBondContact CB-ND2 3.46Å; S87-N89 PolarHBondContact O-N 2.98Å; S87-N89 WeakPolarHBondContact OG-CB 3.48Å; S87-N89 PolarHBondContact OG-ND2 2.99Å; N89-C91 PolarHBondContact O-N 2.89Å; N89-T173 HydrophobicContact CB-CG2 3.61Å |
| 90 | L | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -74.9 | -9.8 | 173.7 | -62.7 | -178.7 | 0 | 0 | 0 | 113.7 | P27 I57 I83 D85 A88 H92 L95 F144 V153 T155 V168 | P27-L90 VanDerWaalsContact CD-O 3.24Å; P27-L90 WeakPolarHBondContact CD-O 3.28Å; P27-L90 VanDerWaalsContact CG-O 3.26Å; P27-L90 WeakPolarHBondContact CG-O 3.46Å; I57-L90 HydrophobicContact CD1-CB 4.49Å; I57-L90 HydrophobicContact CD1-CD1 3.97Å; I57-L90 HydrophobicContact CG1-CB 4.36Å; I57-L90 HydrophobicContact CG2-CB 3.7Å; I83-L90 HydrophobicContact CG2-CD1 4.05Å; D85-L90 HydrophobicContact CB-CB 4.42Å; D85-L90 HydrophobicContact CB-CD1 4.11Å; D85-L90 HydrophobicContact CB-CG 4.35Å; D85-L90 WeakPolarHBondContact OD2-CB 3.46Å; D85-L90 WeakPolarHBondContact OD2-CG 3.47Å; D85-L90 PolarHBondContact OD2-N 2.9Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 2.95Å; L90-H92 VanDerWaalsContact C-N 3.31Å; L90-L95 HydrophobicContact CD2-CD1 4.43Å; L90-F144 HydrophobicContact CD1-CE2 4.25Å; L90-F144 HydrophobicContact CD1-CZ 4.15Å; L90-F144 HydrophobicContact CD2-CD1 4.26Å; L90-F144 HydrophobicContact CD2-CD2 3.47Å; L90-F144 VanDerWaalsContact CD2-CD2 3.47Å; L90-F144 HydrophobicContact CD2-CE1 4.25Å; L90-F144 HydrophobicContact CD2-CE2 3.47Å; L90-F144 VanDerWaalsContact CD2-CE2 3.47Å; L90-F144 HydrophobicContact CD2-CG 3.89Å; L90-F144 HydrophobicContact CD2-CZ 3.88Å; L90-V153 HydrophobicContact CD2-CB 4.08Å; L90-V153 HydrophobicContact CD2-CG1 3.69Å; L90-T155 HydrophobicContact CD1-CG2 4.41Å; L90-T155 HydrophobicContact CD2-CG2 4.35Å; L90-V168 HydrophobicContact CD1-CG2 4.46Å |
| 91 | C | 92.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -91.8 | 12.7 | 178.4 | -50 | 0 | 0 | 0 | 0 | 113.1 | C26 A88 N89 | C26-C91 HydrophobicContact CB-CB 3.91Å; C26-C91 WeakPolarHBondContact CB-SG 3.41Å; C26-C91 WeakPolarHBondContact SG-CB 3.44Å; C26-C91 CovalentContact SG-SG 2.04Å; C26-C91 PolarHBondContact SG-SG 2.94Å; A88-C91 WeakPolarHBondContact O-CB 3.49Å; A88-C91 PolarHBondContact O-N 2.87Å; N89-C91 PolarHBondContact O-N 2.89Å |
| 92 | H | 92.4 | Very high | 89 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | trans | -62.8 | 141.5 | 177.1 | -168.2 | -101.2 | 0 | 0 | 0 | 112.6 | L90 S94 L95 N96 I151 | L90-H92 VanDerWaalsContact C-N 3.31Å; H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact CE1-OG 3.41Å; H92-S94 PolarHBondContact ND1-N 3.15Å; H92-S94 PolarHBondContact ND1-OG 2.79Å; H92-S94 PolarHBondContact O-N 3.09Å; H92-S94 VanDerWaalsContact O-N 3.15Å; H92-L95 HydrophobicContact CB-CD1 4.36Å; H92-L95 WeakPolarHBondContact O-CA 3.39Å; H92-L95 WeakPolarHBondContact O-CB 3.24Å; H92-L95 PolarHBondContact O-N 3.19Å; H92-N96 PolarHBondContact O-N 2.85Å; H92-I151 HydrophobicContact CB-CD1 4.09Å; H92-I151 HydrophobicContact CB-CG2 4.46Å | ||
| 93 | A | 90.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 54.9 Ų | 54.9 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -58.8 | -33.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L95 N96 | A93-L95 PolarHBondContact O-N 3.01Å; A93-N96 CarbonylContact O-C 3.6Å; A93-N96 PolarHBondContact O-N 2.86Å; A93-N96 VanDerWaalsContact O-N 3.1Å |
| 94 | S | 91.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -72.8 | -11.3 | 177 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | H92 G146 L147 I151 | H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact CE1-OG 3.41Å; H92-S94 PolarHBondContact ND1-N 3.15Å; H92-S94 PolarHBondContact ND1-OG 2.79Å; H92-S94 PolarHBondContact O-N 3.09Å; H92-S94 VanDerWaalsContact O-N 3.15Å; S94-G146 WeakPolarHBondContact O-CA 3.3Å; S94-L147 PolarHBondContact O-N 2.9Å; S94-I151 VanDerWaalsContact OG-CG2 3.29Å; S94-I151 WeakPolarHBondContact OG-CG2 3.25Å |
| 95 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -96.2 | -12.5 | 170.4 | -63.3 | 173.1 | 0 | 0 | 0 | 111.8 | P27 M29 L90 H92 A93 P97 P105 F144 I151 V153 | P27-L95 VanDerWaalsContact CB-O 3.3Å; P27-L95 WeakPolarHBondContact CB-O 3.3Å; P27-L95 HydrophobicContact CG-CB 4.33Å; M29-L95 HydrophobicContact SD-CB 3.97Å; M29-L95 HydrophobicContact SD-CD2 4.27Å; L90-L95 HydrophobicContact CD2-CD1 4.43Å; H92-L95 HydrophobicContact CB-CD1 4.36Å; H92-L95 WeakPolarHBondContact O-CA 3.39Å; H92-L95 WeakPolarHBondContact O-CB 3.24Å; H92-L95 PolarHBondContact O-N 3.19Å; A93-L95 PolarHBondContact O-N 3.01Å; L95-P97 VanDerWaalsContact O-CD 3.24Å; L95-P97 WeakPolarHBondContact O-CD 3.04Å; L95-P105 HydrophobicContact CD2-CB 3.93Å; L95-F144 HydrophobicContact CD2-CB 4.04Å; L95-I151 HydrophobicContact CD1-CG2 4.33Å; L95-I151 HydrophobicContact CG-CG2 4.17Å; L95-V153 HydrophobicContact CD1-CG2 4.14Å |
| 96 | N | 89 | Confident | 88.2 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -116.7 | 66.6 | 177.6 | -164 | 8.3 | 0 | 0 | 0 | 112.6 | S25 P27 H92 A93 | S25-N96 PolarHBondContact O-ND2 2.92Å; P27-N96 HydrophobicContact CB-CB 3.74Å; P27-N96 HydrophobicContact CG-CB 4.34Å; H92-N96 PolarHBondContact O-N 2.85Å; A93-N96 CarbonylContact O-C 3.6Å; A93-N96 PolarHBondContact O-N 2.86Å; A93-N96 VanDerWaalsContact O-N 3.1Å |
| 97 | P | 83.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 151.2 | 176.7 | 29.5 | -35.8 | 0 | 0 | 0 | 111.9 | L95 L147 | L95-P97 VanDerWaalsContact O-CD 3.24Å; L95-P97 WeakPolarHBondContact O-CD 3.04Å; P97-L147 HydrophobicContact CB-CD1 3.83Å; P97-L147 HydrophobicContact CG-CD1 4.47Å |
| 98 | P | 81.4 | Confident | 88.5 | Confident | 109 Ų | 109 | 65 Ų | 65 | 71% | 0.708 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 142.8 | 175.5 | -26.6 | 35 | 0 | 0 | 0 | 113 | G100 S101 | P98-G100 PolarHBondContact O-N 3.21Å; P98-S101 VanDerWaalsContact O-CB 3.26Å; P98-S101 WeakPolarHBondContact O-CB 3.06Å; P98-S101 PolarHBondContact O-N 3.41Å |
| 99 | R | 74.5 | Confident | 88.6 | Confident | 194 Ų | 194 | 63 Ų | 63 | 73% | 0.732 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.8 | 178.2 | -68.8 | -177.2 | 178.6 | 165.8 | 0.9 | 110.8 | Q69 | Q69-R99 VanDerWaalsContact OE1-NE 3.08Š|
| 100 | G | 74.4 | Confident | 88.8 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 2.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | P98 I102 | P98-G100 PolarHBondContact O-N 3.21Å; G100-I102 PolarHBondContact O-N 2.88Å |
| 101 | S | 82.8 | Confident | 88.8 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | trans | -56.9 | 131.1 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | P98 Q103 | P98-S101 VanDerWaalsContact O-CB 3.26Å; P98-S101 WeakPolarHBondContact O-CB 3.06Å; P98-S101 PolarHBondContact O-N 3.41Å; S101-Q103 WeakPolarHBondContact CB-O 3.25Å; S101-Q103 PolarHBondContact OG-N 2.97Å; S101-Q103 PolarHBondContact OG-O 2.73Å | ||
| 102 | I | 83.6 | Confident | 89 | Confident | 169 Ų | 169 | 66.9 Ų | 66.9 | 87% | 0.867 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -71 | -36.7 | 174.7 | -59.9 | 172.7 | 0 | 0 | 0 | 110.1 | G100 | G100-I102 PolarHBondContact O-N 2.88Š|
| 103 | Q | 86.8 | Confident | 89.1 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | trans | -85.7 | 123.8 | 173.8 | -67.1 | -177.5 | -10.9 | 0 | 0 | 109.5 | S101 L147 | S101-Q103 WeakPolarHBondContact CB-O 3.25Å; S101-Q103 PolarHBondContact OG-N 2.97Å; S101-Q103 PolarHBondContact OG-O 2.73Å; Q103-L147 HydrophobicContact CB-CD2 3.89Å | ||
| 104 | K | 88.6 | Confident | 89.3 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | trans | -113.1 | 150.7 | 173.8 | -59.4 | -173.6 | -171.5 | -176.6 | 0 | 109.2 | E30 L147 | E30-K104 IonicContact OE1-NZ 3.42Å; E30-K104 PolarHBondContact OE1-NZ 2.82Å; E30-K104 IonicContact OE2-NZ 3.51Å; E30-K104 PolarHBondContact OE2-NZ 3.45Å; K104-L147 WeakPolarHBondContact O-CD2 3.22Å | ||
| 105 | P | 92.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 73 Ų | 73 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | trans | -58.6 | 154.6 | 168.4 | 28.4 | -36.5 | 0 | 0 | 0 | 110.4 | M29 L95 Q145 | M29-P105 HydrophobicContact SD-CG 4.38Å; L95-P105 HydrophobicContact CD2-CB 3.93Å; P105-Q145 CarbonylContact C-O 3.49Å; P105-Q145 VanDerWaalsContact CA-O 3.31Å; P105-Q145 WeakPolarHBondContact CA-O 3.48Å; P105-Q145 VanDerWaalsContact CB-O 3.25Å; P105-Q145 WeakPolarHBondContact CB-O 3.42Å | ||
| 106 | Q | 94.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.5 | 169.4 | -58.2 | -61.8 | -39.4 | 0 | 0 | 108.9 | F144 Q145 | Q106-F144 WeakPolarHBondContact O-CA 3.39Å; Q106-Q145 HydrophobicContact CB-CB 4.04Å; Q106-Q145 PolarHBondContact N-O 2.8Å; Q106-Q145 PolarHBondContact O-N 2.95Å |
| 107 | C | 95.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 75.1 Ų | 75.1 | 5% | 0.054 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 127.6 | 177.4 | 179 | 0 | 0 | 0 | 0 | 110.7 | C31 W32 S143 F144 | C31-C107 HydrophobicContact CB-CB 3.71Å; C31-C107 WeakPolarHBondContact CB-SG 3.47Å; C31-C107 WeakPolarHBondContact SG-CB 3.43Å; C31-C107 CovalentContact SG-SG 2.02Å; C31-C107 PolarHBondContact SG-SG 2.84Å; W32-C107 PolarHBondContact N-O 2.96Å; C107-S143 WeakPolarHBondContact CA-O 3.42Å; C107-F144 HydrophobicContact CB-CD1 4.11Å; C107-F144 WeakPolarHBondContact SG-CD1 3.26Å; C107-F144 WeakPolarHBondContact SG-CE1 3.43Å |
| 108 | E | 95.8 | Very high | 89.8 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.3 | 175.1 | -161 | -177.6 | 119.7 | 0 | 0 | 109.7 | W32 V34 N110 S142 S143 | W32-E108 CarbonylContact O-C 3.59Å; W32-E108 WeakPolarHBondContact O-CA 3.41Å; V34-E108 HydrophobicContact CB-CG 4.2Å; V34-E108 HydrophobicContact CG2-CG 3.54Å; E108-N110 PolarHBondContact OE1-ND2 2.92Å; E108-S142 CarbonylContact O-C 3.5Å; E108-S142 VanDerWaalsContact O-CA 3.25Å; E108-S142 WeakPolarHBondContact O-CA 3.37Å; E108-S143 PolarHBondContact N-O 2.68Å; E108-S143 PolarHBondContact O-N 3.03Å |
| 109 | I | 95.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.9 | 178.8 | -51.6 | 169.1 | 0 | 0 | 0 | 107.9 | C31 W32 F33 V34 L55 Y81 F140 | C31-I109 HydrophobicContact CB-CD1 3.71Å; C31-I109 HydrophobicContact CB-CG1 4.02Å; W32-I109 PolarHBondContact O-N 3.11Å; F33-I109 CarbonylContact C-O 3.54Å; F33-I109 WeakPolarHBondContact CA-O 3.42Å; F33-I109 HydrophobicContact CD2-CB 4.38Å; F33-I109 HydrophobicContact CD2-CG2 4.2Å; V34-I109 PolarHBondContact N-O 2.96Å; L55-I109 HydrophobicContact CD1-CD1 3.87Å; L55-I109 HydrophobicContact CD1-CG1 4.48Å; L55-I109 HydrophobicContact CD2-CD1 3.63Å; L55-I109 HydrophobicContact CG-CD1 3.91Å; Y81-I109 HydrophobicContact CD2-CD1 4.49Å; I109-F140 HydrophobicContact CG2-CB 4.18Å; I109-F140 HydrophobicContact CG2-CD1 4.3Å |
| 110 | N | 95.2 | Very high | 91 | Very high | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.214 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.7 | 177.5 | -71.6 | -83.5 | 0 | 0 | 0 | 110.3 | V34 E108 F112 F140 S141 | V34-N110 WeakPolarHBondContact CB-OD1 3.35Å; V34-N110 PolarHBondContact O-OD1 2.87Å; E108-N110 PolarHBondContact OE1-ND2 2.92Å; N110-F112 PolarHBondContact O-N 3.14Å; N110-F140 CarbonylContact O-C 3.57Å; N110-F140 VanDerWaalsContact O-CA 3.26Å; N110-F140 WeakPolarHBondContact O-CA 3.4Å; N110-S141 PolarHBondContact N-O 3.17Å; N110-S141 PolarHBondContact O-N 2.02Å |
| 111 | P | 94.9 | Very high | 91.6 | Very high | 58 Ų | 58 | 72.6 Ų | 72.6 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 132 | 161.7 | -22.9 | 34 | 0 | 0 | 0 | 110.5 | F33 V34 Q35 | F33-P111 HydrophobicContact CE2-CG 4.27Å; F33-P111 HydrophobicContact CZ-CG 3.71Å; V34-P111 WeakPolarHBondContact O-CD 3.2Å; Q35-P111 HydrophobicContact CG-CG 4.37Å |
| 112 | F | 95.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.2 | 176.3 | -176.1 | -96.1 | 0 | 0 | 0 | 109.8 | N110 P114 W139 I156 L276 L277 | N110-F112 PolarHBondContact O-N 3.14Å; F112-P114 HydrophobicContact CD1-CG 4.16Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.19Å; F112-W139 HydrophobicContact CB-CB 4.11Å; F112-W139 HydrophobicContact CD1-CB 4.13Å; F112-W139 PolarHBondContact N-O 2.99Å; F112-W139 WeakPolarHBondContact O-CB 3.05Å; F112-I156 HydrophobicContact CD1-CD1 4.43Å; F112-I156 HydrophobicContact CD1-CG2 4.3Å; F112-I156 HydrophobicContact CD2-CD1 3.76Å; F112-I156 HydrophobicContact CE2-CD1 3.96Å; F112-I156 HydrophobicContact CG-CD1 4.02Å; F112-I156 HydrophobicContact CZ-CD1 4.39Å; F112-L276 HydrophobicContact CD1-CD2 4.42Å; F112-L276 HydrophobicContact CE1-CD2 3.74Å; F112-L277 HydrophobicContact CE2-CG 4.43Å |
| 113 | L | 94.3 | Very high | 92.5 | Very high | 128 Ų | 128 | 65 Ų | 65 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | trans | -115.1 | 109 | 174.6 | -178.4 | 63.3 | 0 | 0 | 0 | 109.2 | Q115 | L113-Q115 PolarHBondContact O-N 3.17Š| ||
| 114 | P | 94.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | trans | -59.4 | 124.4 | 175.6 | -24.7 | 34.2 | 0 | 0 | 0 | 111.9 | F112 L135 W139 Y275 L276 | F112-P114 HydrophobicContact CD1-CG 4.16Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.19Å; P114-L135 HydrophobicContact CB-CD1 4.12Å; P114-L135 HydrophobicContact CB-CD2 4.16Å; P114-L135 HydrophobicContact CG-CD2 4.5Å; P114-W139 HydrophobicContact CG-CB 4.26Å; P114-W139 VanDerWaalsContact CG-CD1 3.46Å; P114-W139 HydrophobicContact CG-CD2 3.85Å; P114-W139 HydrophobicContact CG-CG 3.62Å; P114-Y275 CarbonylContact C-O 3.57Å; P114-Y275 VanDerWaalsContact CA-O 3.24Å; P114-Y275 WeakPolarHBondContact CA-O 3.29Å; P114-L276 HydrophobicContact CB-CD2 3.99Å; P114-L276 HydrophobicContact CG-CD2 4Å | ||
| 115 | Q | 92.7 | Very high | 93 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | trans | -152.5 | 146.9 | -177.4 | 61.6 | -175.6 | -26.5 | 0 | 0 | 110.5 | L113 Y275 | L113-Q115 PolarHBondContact O-N 3.17Å; Q115-Y275 PolarHBondContact N-O 3.25Å; Q115-Y275 CarbonylContact O-C 3.53Å; Q115-Y275 WeakPolarHBondContact O-CA 3.29Å | ||
| 116 | P | 92 | Very high | 92.9 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | trans | -63.5 | 144.3 | 177.2 | 28.9 | -34.9 | 0 | 0 | 0 | 110.4 | T126 Y275 | P116-T126 HydrophobicContact CB-CG2 4.03Å; P116-Y275 HydrophobicContact CB-CD1 4.29Å; P116-Y275 HydrophobicContact CB-CE1 4.17Å; P116-Y275 HydrophobicContact CG-CE1 4.39Å | ||
| 117 | S | 91.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 56 Ų | 56 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | trans | -68.8 | 140.3 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | L119 | S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 WeakPolarHBondContact OG-CB 3.17Å; S117-L119 WeakPolarHBondContact OG-CG 3.47Å; S117-L119 PolarHBondContact OG-N 3.23Å | ||
| 118 | S | 89.7 | Confident | 91.7 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 80% | 0.797 | 33% | 0.333 | S | S | * | . | trans | -80.6 | 0 | 172.8 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 119 | L | 91.5 | Very high | 90.8 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | trans | -87.2 | 124.7 | -175 | -58 | 175.1 | 0 | 0 | 0 | 111.6 | S117 W121 V122 A123 E209 Y272 | S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 WeakPolarHBondContact OG-CB 3.17Å; S117-L119 WeakPolarHBondContact OG-CG 3.47Å; S117-L119 PolarHBondContact OG-N 3.23Å; L119-W121 HydrophobicContact CB-CD2 4.28Å; L119-W121 HydrophobicContact CB-CZ2 4.14Å; L119-W121 HydrophobicContact CD1-CZ2 3.86Å; L119-W121 HydrophobicContact CD2-CH2 4.05Å; L119-W121 HydrophobicContact CD2-CZ2 3.84Å; L119-W121 HydrophobicContact CG-CZ2 4.17Å; L119-W121 PolarHBondContact O-N 2.79Å; L119-W121 VanDerWaalsContact O-N 3.15Å; L119-V122 HydrophobicContact CB-CB 4.42Å; L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 4.42Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-A123 PolarHBondContact O-N 2.72Å; L119-E209 VanDerWaalsContact CD1-OE2 3.3Å; L119-E209 WeakPolarHBondContact CD1-OE2 3.07Å; L119-Y272 HydrophobicContact CD1-CE1 4.34Å; L119-Y272 HydrophobicContact CD1-CE2 4.41Å; L119-Y272 VanDerWaalsContact CD1-OH 3.25Å; L119-Y272 WeakPolarHBondContact CD1-OH 3.46Å | ||
| 120 | N | 88.8 | Confident | 90.2 | Very high | 137 Ų | 137 | 66 Ų | 66 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31 | -175.7 | -67.3 | -22.2 | 0 | 0 | 0 | 114.1 | V122 | N120-V122 VanDerWaalsContact C-N 3.31Š|
| 121 | W | 88.6 | Confident | 89.7 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11 | 177.3 | 54.2 | 85.7 | 0 | 0 | 0 | 114.1 | L119 E209 L220 A223 A232 | L119-W121 HydrophobicContact CB-CD2 4.28Å; L119-W121 HydrophobicContact CB-CZ2 4.14Å; L119-W121 HydrophobicContact CD1-CZ2 3.86Å; L119-W121 HydrophobicContact CD2-CH2 4.05Å; L119-W121 HydrophobicContact CD2-CZ2 3.84Å; L119-W121 HydrophobicContact CG-CZ2 4.17Å; L119-W121 PolarHBondContact O-N 2.79Å; L119-W121 VanDerWaalsContact O-N 3.15Å; W121-E209 VanDerWaalsContact CZ2-OE2 3.28Å; W121-E209 WeakPolarHBondContact CZ2-OE2 3.48Å; W121-E209 PolarHBondContact NE1-OE2 2.83Å; W121-L220 HydrophobicContact CH2-CD2 4.08Å; W121-L220 HydrophobicContact CZ2-CD1 4.48Å; W121-L220 HydrophobicContact CZ2-CD2 4.18Å; W121-L220 HydrophobicContact CZ3-CD2 4.32Å; W121-A223 HydrophobicContact CD2-CB 4.22Å; W121-A223 HydrophobicContact CG-CB 3.93Å; W121-A232 HydrophobicContact CB-CB 4.37Å |
| 122 | V | 92.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.8 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | L119 N120 S124 L125 A207 Y272 | L119-V122 HydrophobicContact CB-CB 4.42Å; L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 4.42Å; L119-V122 PolarHBondContact O-N 2.97Å; N120-V122 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.31Å; V122-L125 HydrophobicContact CG1-CD1 3.73Å; V122-L125 HydrophobicContact CG1-CG 4.17Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-L125 PolarHBondContact O-N 3.47Å; V122-A207 HydrophobicContact CG1-CB 4.35Å; V122-A207 HydrophobicContact CG2-CB 4.28Å; V122-Y272 HydrophobicContact CG1-CD1 3.98Å; V122-Y272 HydrophobicContact CG1-CD2 4.37Å; V122-Y272 HydrophobicContact CG1-CG 3.75Å; V122-Y272 HydrophobicContact CG2-CD1 4.35Å; V122-Y272 HydrophobicContact CG2-CD2 3.82Å; V122-Y272 HydrophobicContact CG2-CE2 4.05Å; V122-Y272 HydrophobicContact CG2-CG 3.99Å |
| 123 | A | 91.5 | Very high | 89.2 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -57.4 | -27.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | L119 L125 T126 E127 | L119-A123 PolarHBondContact O-N 2.72Å; A123-L125 PolarHBondContact O-N 3.11Å; A123-T126 PolarHBondContact O-N 3.16Å; A123-T126 VanDerWaalsContact O-N 3.17Å; A123-E127 PolarHBondContact O-N 2.89Å |
| 124 | S | 92.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.035 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -56.1 | -34.1 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | V122 T126 E127 D225 K227 | V122-S124 PolarHBondContact O-N 3.31Å; S124-T126 PolarHBondContact O-N 2.87Å; S124-E127 WeakPolarHBondContact O-CG 3.42Å; S124-D225 WeakPolarHBondContact CB-OD2 3.28Å; S124-D225 PolarHBondContact OG-OD1 3.15Å; S124-D225 PolarHBondContact OG-OD2 2.9Å; S124-K227 WeakPolarHBondContact O-CD 3.21Å; S124-K227 PolarHBondContact O-NZ 2.93Å |
| 125 | L | 92.9 | Very high | 89 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -68.4 | -18.6 | -178.4 | -57.1 | -172 | 0 | 0 | 0 | 113.5 | V122 A123 A207 K227 P274 | V122-L125 HydrophobicContact CG1-CD1 3.73Å; V122-L125 HydrophobicContact CG1-CG 4.17Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-L125 PolarHBondContact O-N 3.47Å; A123-L125 PolarHBondContact O-N 3.11Å; L125-A207 HydrophobicContact CD1-CB 4.18Å; L125-K227 HydrophobicContact CD2-CB 3.86Å; L125-K227 HydrophobicContact CD2-CD 4.26Å; L125-P274 HydrophobicContact CB-CG 4.26Å; L125-P274 WeakPolarHBondContact O-CB 3.22Å |
| 126 | T | 91.4 | Very high | 89 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -129.3 | 24 | -174.9 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | P116 A123 S124 S128 A129 P274 Y275 | P116-T126 HydrophobicContact CB-CG2 4.03Å; A123-T126 PolarHBondContact O-N 3.16Å; A123-T126 VanDerWaalsContact O-N 3.17Å; S124-T126 PolarHBondContact O-N 2.87Å; T126-S128 PolarHBondContact O-N 3.44Å; T126-S128 VanDerWaalsContact O-N 3.1Å; T126-A129 PolarHBondContact O-N 3.43Å; T126-P274 HydrophobicContact CG2-CB 4.38Å; T126-Y275 HydrophobicContact CG2-CD1 4.31Å; T126-Y275 HydrophobicContact CG2-CD2 4.08Å; T126-Y275 HydrophobicContact CG2-CE1 4.08Å; T126-Y275 HydrophobicContact CG2-CE2 3.85Å; T126-Y275 HydrophobicContact CG2-CG 4.3Å |
| 127 | E | 83.7 | Confident | 89.1 | Confident | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -29.4 | -179.9 | -74.7 | 167.9 | 162.8 | 0 | 0 | 115 | A123 S124 A129 K227 | A123-E127 PolarHBondContact O-N 2.89Å; S124-E127 WeakPolarHBondContact O-CG 3.42Å; E127-A129 PolarHBondContact O-N 2.85Å; E127-K227 IonicContact OE2-NZ 3.14Å; E127-K227 PolarHBondContact OE2-NZ 3.35Å |
| 128 | S | 80.5 | Confident | 89.3 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | 179 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | T126 L130 | T126-S128 PolarHBondContact O-N 3.44Å; T126-S128 VanDerWaalsContact O-N 3.1Å; S128-L130 WeakPolarHBondContact O-CG 3.41Å; S128-L130 PolarHBondContact O-N 2.91Å |
| 129 | A | 76.3 | Confident | 89.6 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | trans | 52.3 | 19.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T126 E127 | T126-A129 PolarHBondContact O-N 3.43Å; E127-A129 PolarHBondContact O-N 2.85Å | ||
| 130 | L | 83.9 | Confident | 89.9 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | trans | -121.9 | 119.6 | -178.8 | -69.4 | 174.5 | 0 | 0 | 0 | 109.9 | S128 P132 Y275 | S128-L130 WeakPolarHBondContact O-CG 3.41Å; S128-L130 PolarHBondContact O-N 2.91Å; L130-P132 VanDerWaalsContact O-CD 3.3Å; L130-P132 WeakPolarHBondContact O-CD 3.46Å; L130-Y275 PolarHBondContact O-OH 3.28Å | ||
| 131 | S | 84.1 | Confident | 90.3 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | trans | -67.6 | 119.5 | 175.2 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | P | 88.4 | Confident | 90.7 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 31% | 0.312 | 32% | 0.317 | S | S | . | . | trans | -61.8 | 142.8 | 178 | -24.8 | 34.9 | 0 | 0 | 0 | 112.5 | L130 Y134 L135 Y275 | L130-P132 VanDerWaalsContact O-CD 3.3Å; L130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-Y134 PolarHBondContact O-N 2.86Å; P132-Y134 VanDerWaalsContact O-N 3.1Å; P132-L135 WeakPolarHBondContact O-CB 3.45Å; P132-L135 PolarHBondContact O-N 2.85Å; P132-Y275 VanDerWaalsContact CD-CE2 3.43Å; P132-Y275 HydrophobicContact CG-CE2 4.2Å | ||
| 133 | V | 91 | Very high | 90.9 | Very high | 108 Ų | 108 | 56 Ų | 56 | 66% | 0.655 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -56.3 | -28.7 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L135 Q136 | V133-L135 PolarHBondContact O-N 3.48Å; V133-L135 VanDerWaalsContact O-N 3.13Å; V133-Q136 VanDerWaalsContact O-CB 3.3Å; V133-Q136 WeakPolarHBondContact O-CB 3.48Å; V133-Q136 WeakPolarHBondContact O-CG 3.48Å; V133-Q136 PolarHBondContact O-N 3.44Å |
| 134 | Y | 91.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -54 | -30.2 | 174.5 | -176.8 | -99.4 | 0 | 0 | 0 | 113.9 | P132 Q136 W139 R158 I169 T199 P200 L201 | P132-Y134 PolarHBondContact O-N 2.86Å; P132-Y134 VanDerWaalsContact O-N 3.1Å; Y134-Q136 VanDerWaalsContact C-N 3.26Å; Y134-Q136 PolarHBondContact O-N 3.26Å; Y134-W139 HydrophobicContact CD1-CZ2 4.44Å; Y134-W139 AromaticContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CZ2 4.24Å; Y134-R158 PolarHBondContact O-NE 2.96Å; Y134-R158 PolarHBondContact O-NH2 2.89Å; Y134-I169 WeakPolarHBondContact OH-CD1 3.33Å; Y134-T199 HydrophobicContact CE1-CG2 4.43Å; Y134-T199 WeakPolarHBondContact OH-CG2 3.48Å; Y134-P200 HydrophobicContact CD1-CG 4.23Å; Y134-P200 HydrophobicContact CD2-CG 4.18Å; Y134-P200 HydrophobicContact CG-CG 3.89Å; Y134-L201 HydrophobicContact CD1-CD1 4.29Å; Y134-L201 HydrophobicContact CD1-CG 4.34Å; Y134-L201 HydrophobicContact CE1-CD1 4.15Å; Y134-L201 HydrophobicContact CE1-CG 4.43Å |
| 135 | L | 92.6 | Very high | 91.3 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -72.6 | -12.8 | 177.5 | -59.1 | -177.7 | 0 | 0 | 0 | 113.9 | P114 P132 V133 A137 W139 L201 Y275 L276 | P114-L135 HydrophobicContact CB-CD1 4.12Å; P114-L135 HydrophobicContact CB-CD2 4.16Å; P114-L135 HydrophobicContact CG-CD2 4.5Å; P132-L135 WeakPolarHBondContact O-CB 3.45Å; P132-L135 PolarHBondContact O-N 2.85Å; V133-L135 PolarHBondContact O-N 3.48Å; V133-L135 VanDerWaalsContact O-N 3.13Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.06Å; L135-W139 HydrophobicContact CD2-CH2 4.3Å; L135-W139 HydrophobicContact CD2-CZ2 3.74Å; L135-W139 PolarHBondContact O-NE1 2.87Å; L135-L201 HydrophobicContact CD2-CD1 4.45Å; L135-Y275 HydrophobicContact CD1-CD1 4.09Å; L135-Y275 HydrophobicContact CD1-CD2 3.68Å; L135-Y275 HydrophobicContact CD1-CE2 4.39Å; L135-Y275 HydrophobicContact CD1-CG 3.52Å; L135-L276 HydrophobicContact CD2-CD2 4.45Å |
| 136 | Q | 92.9 | Very high | 91.3 | Very high | 147 Ų | 147 | 56.8 Ų | 56.8 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | trans | -73.8 | 82.1 | 176.8 | -61.5 | -179 | -2.2 | 0 | 0 | 110.4 | V133 Y134 | V133-Q136 VanDerWaalsContact O-CB 3.3Å; V133-Q136 WeakPolarHBondContact O-CB 3.48Å; V133-Q136 WeakPolarHBondContact O-CG 3.48Å; V133-Q136 PolarHBondContact O-N 3.44Å; Y134-Q136 VanDerWaalsContact C-N 3.26Å; Y134-Q136 PolarHBondContact O-N 3.26Å | ||
| 137 | A | 94.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -160.9 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L135 R158 | L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.06Å; A137-R158 HydrophobicContact CB-CG 3.65Å |
| 138 | D | 95.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.2 | 166.9 | -56.4 | -19 | 0 | 0 | 0 | 107.7 | F140 A159 T161 G162 | D138-F140 HydrophobicContact CB-CE2 3.94Å; D138-F140 HydrophobicContact CB-CZ 4.25Å; D138-A159 HydrophobicContact CB-CB 4.44Å; D138-A159 PolarHBondContact N-O 2.81Å; D138-A159 PolarHBondContact O-N 2.84Å; D138-A159 VanDerWaalsContact O-O 3.13Å; D138-T161 PolarHBondContact OD1-OG1 2.95Å; D138-T161 VanDerWaalsContact OD1-OG1 3.12Å; D138-T161 WeakPolarHBondContact OD2-CA 3.39Å; D138-G162 PolarHBondContact OD2-N 2.82Å |
| 139 | W | 96.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.9 | -177.6 | -67.8 | 83 | 0 | 0 | 0 | 110.7 | F112 P114 Y134 L135 I156 S157 R158 I169 L201 L276 | F112-W139 HydrophobicContact CB-CB 4.11Å; F112-W139 HydrophobicContact CD1-CB 4.13Å; F112-W139 PolarHBondContact N-O 2.99Å; F112-W139 WeakPolarHBondContact O-CB 3.05Å; P114-W139 HydrophobicContact CG-CB 4.26Å; P114-W139 VanDerWaalsContact CG-CD1 3.46Å; P114-W139 HydrophobicContact CG-CD2 3.85Å; P114-W139 HydrophobicContact CG-CG 3.62Å; Y134-W139 HydrophobicContact CD1-CZ2 4.44Å; Y134-W139 AromaticContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CZ2 4.24Å; L135-W139 HydrophobicContact CD2-CH2 4.3Å; L135-W139 HydrophobicContact CD2-CZ2 3.74Å; L135-W139 PolarHBondContact O-NE1 2.87Å; W139-I156 HydrophobicContact CE3-CG2 3.55Å; W139-I156 HydrophobicContact CZ3-CG2 3.83Å; W139-S157 WeakPolarHBondContact CA-O 2.91Å; W139-R158 HydrophobicContact CD2-CB 4.17Å; W139-R158 HydrophobicContact CD2-CG 4.21Å; W139-R158 HydrophobicContact CE3-CB 3.88Å; W139-R158 HydrophobicContact CE3-CG 4.38Å; W139-R158 HydrophobicContact CH2-CB 3.97Å; W139-R158 HydrophobicContact CH2-CG 4.05Å; W139-R158 HydrophobicContact CZ2-CB 4.21Å; W139-R158 HydrophobicContact CZ2-CG 3.82Å; W139-R158 HydrophobicContact CZ3-CB 3.79Å; W139-R158 HydrophobicContact CZ3-CG 4.32Å; W139-I169 HydrophobicContact CH2-CG1 4.14Å; W139-I169 HydrophobicContact CH2-CG2 4.39Å; W139-I169 HydrophobicContact CZ3-CB 4.09Å; W139-I169 HydrophobicContact CZ3-CG1 3.77Å; W139-I169 HydrophobicContact CZ3-CG2 4.27Å; W139-L201 HydrophobicContact CH2-CD1 4.39Å; W139-L276 HydrophobicContact CD2-CD2 4.42Å; W139-L276 HydrophobicContact CE3-CD1 4.48Å; W139-L276 HydrophobicContact CE3-CD2 3.97Å; W139-L276 HydrophobicContact CH2-CD1 3.9Å; W139-L276 HydrophobicContact CH2-CD2 4.03Å; W139-L276 HydrophobicContact CZ3-CD1 3.59Å; W139-L276 HydrophobicContact CZ3-CD2 3.75Å; W139-L276 HydrophobicContact CZ3-CG 4.35Å |
| 140 | F | 96.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.1 | -178.2 | -56.9 | -89.2 | 0 | 0 | 0 | 110.9 | F33 I109 N110 D138 S157 A159 H166 | F33-F140 HydrophobicContact CE2-CD1 4.13Å; F33-F140 AromaticContact CE2-CE1 3.9Å; F33-F140 HydrophobicContact CE2-CE1 3.9Å; I109-F140 HydrophobicContact CG2-CB 4.18Å; I109-F140 HydrophobicContact CG2-CD1 4.3Å; N110-F140 CarbonylContact O-C 3.57Å; N110-F140 VanDerWaalsContact O-CA 3.26Å; N110-F140 WeakPolarHBondContact O-CA 3.4Å; D138-F140 HydrophobicContact CB-CE2 3.94Å; D138-F140 HydrophobicContact CB-CZ 4.25Å; F140-S157 PolarHBondContact N-O 2.86Å; F140-S157 PolarHBondContact O-N 3.48Å; F140-S157 PolarHBondContact O-OG 2.76Å; F140-A159 HydrophobicContact CD2-CB 4.43Å; F140-A159 HydrophobicContact CE2-CB 3.95Å; F140-H166 AromaticContact CD2-CE1 3.17Å; F140-H166 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H166 AromaticContact CD2-ND1 3.49Å; F140-H166 WeakPolarHBondContact CD2-ND1 3.34Å; F140-H166 AromaticContact CD2-NE2 3.96Å; F140-H166 AromaticContact CE2-CE1 3.4Å; F140-H166 VanDerWaalsContact CE2-CE1 3.4Å; F140-H166 WeakPolarHBondContact CE2-CE1 2.99Å; F140-H166 AromaticContact CE2-NE2 3.76Å; F140-H166 AromaticContact CG-CE1 3.66Å |
| 141 | S | 97.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.5 | 167.7 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | N110 T155 I156 | N110-S141 PolarHBondContact N-O 3.17Å; N110-S141 PolarHBondContact O-N 2.02Å; S141-T155 WeakPolarHBondContact CA-O 3.44Å; S141-I156 VanDerWaalsContact CB-CD1 3.47Å |
| 142 | S | 97 | Very high | 94 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135 | 179.7 | -54 | 0 | 0 | 0 | 0 | 110.2 | E108 F144 S154 T155 | E108-S142 CarbonylContact O-C 3.5Å; E108-S142 VanDerWaalsContact O-CA 3.25Å; E108-S142 WeakPolarHBondContact O-CA 3.37Å; S142-F144 VanDerWaalsContact CB-CE2 3.43Å; S142-F144 VanDerWaalsContact CB-CZ 3.48Å; S142-S154 CarbonylContact O-C 3.54Å; S142-S154 VanDerWaalsContact O-CA 3.29Å; S142-S154 WeakPolarHBondContact O-CA 3.34Å; S142-T155 PolarHBondContact N-O 2.6Å; S142-T155 PolarHBondContact O-N 2.87Å |
| 143 | S | 97.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 47 Ų | 47 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.7 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | C107 E108 | C107-S143 WeakPolarHBondContact CA-O 3.42Å; E108-S143 PolarHBondContact N-O 2.68Å; E108-S143 PolarHBondContact O-N 3.03Å |
| 144 | F | 96.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.4 | -175.1 | -51.2 | -90.7 | 0 | 0 | 0 | 109.4 | M29 L55 L90 L95 Q106 C107 S142 G152 V153 T155 | M29-F144 HydrophobicContact CE-CD1 3.54Å; M29-F144 HydrophobicContact CE-CE1 3.44Å; M29-F144 VanDerWaalsContact CE-CE1 3.44Å; M29-F144 HydrophobicContact CE-CZ 4.42Å; M29-F144 HydrophobicContact SD-CD1 4.19Å; L55-F144 HydrophobicContact CD1-CE1 3.73Å; L55-F144 HydrophobicContact CD1-CZ 4.01Å; L90-F144 HydrophobicContact CD1-CE2 4.25Å; L90-F144 HydrophobicContact CD1-CZ 4.15Å; L90-F144 HydrophobicContact CD2-CD1 4.26Å; L90-F144 HydrophobicContact CD2-CD2 3.47Å; L90-F144 VanDerWaalsContact CD2-CD2 3.47Å; L90-F144 HydrophobicContact CD2-CE1 4.25Å; L90-F144 HydrophobicContact CD2-CE2 3.47Å; L90-F144 VanDerWaalsContact CD2-CE2 3.47Å; L90-F144 HydrophobicContact CD2-CG 3.89Å; L90-F144 HydrophobicContact CD2-CZ 3.88Å; L95-F144 HydrophobicContact CD2-CB 4.04Å; Q106-F144 WeakPolarHBondContact O-CA 3.39Å; C107-F144 HydrophobicContact CB-CD1 4.11Å; C107-F144 WeakPolarHBondContact SG-CD1 3.26Å; C107-F144 WeakPolarHBondContact SG-CE1 3.43Å; S142-F144 VanDerWaalsContact CB-CE2 3.43Å; S142-F144 VanDerWaalsContact CB-CZ 3.48Å; F144-G152 CarbonylContact O-C 3.52Å; F144-G152 WeakPolarHBondContact O-CA 3.28Å; F144-V153 HydrophobicContact CB-CB 4.19Å; F144-V153 HydrophobicContact CD2-CB 4.11Å; F144-V153 HydrophobicContact CD2-CG1 4.36Å; F144-V153 PolarHBondContact N-O 2.83Å; F144-V153 PolarHBondContact O-N 2.8Å; F144-T155 HydrophobicContact CE2-CG2 4.18Å |
| 145 | Q | 96 | Very high | 95.1 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.7 | 171.8 | -161.3 | 179.5 | 32.2 | 0 | 0 | 109.3 | P105 Q106 | P105-Q145 CarbonylContact C-O 3.49Å; P105-Q145 VanDerWaalsContact CA-O 3.31Å; P105-Q145 WeakPolarHBondContact CA-O 3.48Å; P105-Q145 VanDerWaalsContact CB-O 3.25Å; P105-Q145 WeakPolarHBondContact CB-O 3.42Å; Q106-Q145 HydrophobicContact CB-CB 4.04Å; Q106-Q145 PolarHBondContact N-O 2.8Å; Q106-Q145 PolarHBondContact O-N 2.95Å |
| 146 | G | 93.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -65.5 | 157.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S94 Q149 I151 | S94-G146 WeakPolarHBondContact O-CA 3.3Å; G146-Q149 PolarHBondContact O-N 2.94Å; G146-I151 PolarHBondContact N-O 2.82Å | ||
| 147 | L | 92.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 32 Ų | 32 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -53.3 | 144.7 | 175.9 | -67.1 | -176.9 | 0 | 0 | 0 | 112.1 | S94 P97 Q103 K104 Q149 Q150 | S94-L147 PolarHBondContact O-N 2.9Å; P97-L147 HydrophobicContact CB-CD1 3.83Å; P97-L147 HydrophobicContact CG-CD1 4.47Å; Q103-L147 HydrophobicContact CB-CD2 3.89Å; K104-L147 WeakPolarHBondContact O-CD2 3.22Å; L147-Q149 PolarHBondContact O-N 3.24Å; L147-Q149 VanDerWaalsContact O-N 3.1Å; L147-Q150 WeakPolarHBondContact O-CG 3.37Å; L147-Q150 PolarHBondContact O-N 2.83Å |
| 148 | N | 90.2 | Very high | 95.7 | Very high | 128 Ų | 128 | 33.4 Ų | 33.4 | 68% | 0.684 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | 52.8 | 27.4 | -178.1 | -55.4 | -36.4 | 0 | 0 | 0 | 114.4 | Q150 | N148-Q150 HydrophobicContact CB-CG 4.35Å; N148-Q150 PolarHBondContact O-N 2.9Å; N148-Q150 VanDerWaalsContact O-N 3.16Å |
| 149 | Q | 90.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 30.5 Ų | 30.5 | 45% | 0.453 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | 58.7 | 24.1 | -179.5 | -55.5 | 179.8 | -13.7 | 0 | 0 | 113.7 | G146 L147 I151 M177 | G146-Q149 PolarHBondContact O-N 2.94Å; L147-Q149 PolarHBondContact O-N 3.24Å; L147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-I151 VanDerWaalsContact C-N 3.29Å; Q149-I151 PolarHBondContact O-N 2.87Å; Q149-M177 HydrophobicContact CB-CB 4.03Å; Q149-M177 WeakPolarHBondContact O-CB 3.38Å |
| 150 | Q | 91.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 32.8 Ų | 32.8 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -68.8 | -24.9 | -177.2 | -72 | -175.6 | -26.9 | 0 | 0 | 114.3 | L147 N148 | L147-Q150 WeakPolarHBondContact O-CG 3.37Å; L147-Q150 PolarHBondContact O-N 2.83Å; N148-Q150 HydrophobicContact CB-CG 4.35Å; N148-Q150 PolarHBondContact O-N 2.9Å; N148-Q150 VanDerWaalsContact O-N 3.16Å |
| 151 | I | 95.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | trans | -151.8 | 143.6 | 174 | -158.3 | 173 | 0 | 0 | 0 | 109.6 | H92 S94 L95 G146 Q149 V153 S174 R175 | H92-I151 HydrophobicContact CB-CD1 4.09Å; H92-I151 HydrophobicContact CB-CG2 4.46Å; S94-I151 VanDerWaalsContact OG-CG2 3.29Å; S94-I151 WeakPolarHBondContact OG-CG2 3.25Å; L95-I151 HydrophobicContact CD1-CG2 4.33Å; L95-I151 HydrophobicContact CG-CG2 4.17Å; G146-I151 PolarHBondContact N-O 2.82Å; Q149-I151 VanDerWaalsContact C-N 3.29Å; Q149-I151 PolarHBondContact O-N 2.87Å; I151-V153 HydrophobicContact CD1-CG2 3.91Å; I151-V153 HydrophobicContact CG1-CG2 4.03Å; I151-V153 HydrophobicContact CG2-CG2 4.42Å; I151-S174 CarbonylContact C-O 3.53Å; I151-S174 VanDerWaalsContact CA-O 3.27Å; I151-S174 WeakPolarHBondContact CA-O 3.47Å; I151-S174 WeakPolarHBondContact CG1-O 3.46Å; I151-R175 HydrophobicContact CG1-CG 4.41Å | ||
| 152 | G | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109 | F144 T173 S174 M177 | F144-G152 CarbonylContact O-C 3.52Å; F144-G152 WeakPolarHBondContact O-CA 3.28Å; G152-T173 CarbonylContact O-C 3.48Å; G152-T173 WeakPolarHBondContact O-CA 3.33Å; G152-S174 PolarHBondContact N-O 2.85Å; G152-S174 PolarHBondContact O-N 2.86Å; G152-M177 WeakPolarHBondContact CA-SD 3.46Å; G152-M177 VanDerWaalsContact N-CG 3.34Å; G152-M177 PolarHBondContact N-SD 2.72Å; G152-M177 VanDerWaalsContact N-SD 3.42Å |
| 153 | V | 97.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.2 | 174 | -171.7 | 0 | 0 | 0 | 0 | 108 | L90 L95 F144 I151 T155 I172 T173 | L90-V153 HydrophobicContact CD2-CB 4.08Å; L90-V153 HydrophobicContact CD2-CG1 3.69Å; L95-V153 HydrophobicContact CD1-CG2 4.14Å; F144-V153 HydrophobicContact CB-CB 4.19Å; F144-V153 HydrophobicContact CD2-CB 4.11Å; F144-V153 HydrophobicContact CD2-CG1 4.36Å; F144-V153 PolarHBondContact N-O 2.83Å; F144-V153 PolarHBondContact O-N 2.8Å; I151-V153 HydrophobicContact CD1-CG2 3.91Å; I151-V153 HydrophobicContact CG1-CG2 4.03Å; I151-V153 HydrophobicContact CG2-CG2 4.42Å; V153-T155 HydrophobicContact CG1-CG2 3.97Å; V153-I172 CarbonylContact C-O 3.54Å; V153-I172 VanDerWaalsContact CA-O 3.26Å; V153-I172 WeakPolarHBondContact CA-O 3.28Å; V153-T173 HydrophobicContact CG1-CG2 4.04Å; V153-T173 HydrophobicContact CG2-CG2 4.04Å |
| 154 | S | 98.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.6 | 172.5 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | S142 I172 Q279 | S142-S154 CarbonylContact O-C 3.54Å; S142-S154 VanDerWaalsContact O-CA 3.29Å; S142-S154 WeakPolarHBondContact O-CA 3.34Å; S154-I172 PolarHBondContact N-O 3.49Å; S154-I172 PolarHBondContact O-N 3.27Å; S154-Q279 VanDerWaalsContact CB-O 3.28Å; S154-Q279 WeakPolarHBondContact CB-O 3.45Å; S154-Q279 PolarHBondContact OG-O 2.82Å |
| 155 | T | 98.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145 | -174.5 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | L90 S141 S142 F144 V153 V168 L170 | L90-T155 HydrophobicContact CD1-CG2 4.41Å; L90-T155 HydrophobicContact CD2-CG2 4.35Å; S141-T155 WeakPolarHBondContact CA-O 3.44Å; S142-T155 PolarHBondContact N-O 2.6Å; S142-T155 PolarHBondContact O-N 2.87Å; F144-T155 HydrophobicContact CE2-CG2 4.18Å; V153-T155 HydrophobicContact CG1-CG2 3.97Å; T155-V168 HydrophobicContact CG2-CG1 4.02Å; T155-V168 HydrophobicContact CG2-CG2 4.41Å; T155-L170 CarbonylContact C-O 3.52Å; T155-L170 WeakPolarHBondContact CA-O 3.29Å |
| 156 | I | 98.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.2 | 157.2 | -61 | -52.8 | 0 | 0 | 0 | 107.2 | F112 W139 S141 I169 L170 L276 L277 A278 | F112-I156 HydrophobicContact CD1-CD1 4.43Å; F112-I156 HydrophobicContact CD1-CG2 4.3Å; F112-I156 HydrophobicContact CD2-CD1 3.76Å; F112-I156 HydrophobicContact CE2-CD1 3.96Å; F112-I156 HydrophobicContact CG-CD1 4.02Å; F112-I156 HydrophobicContact CZ-CD1 4.39Å; W139-I156 HydrophobicContact CE3-CG2 3.55Å; W139-I156 HydrophobicContact CZ3-CG2 3.83Å; S141-I156 VanDerWaalsContact CB-CD1 3.47Å; I156-I169 PolarHBondContact O-N 3.36Å; I156-L170 HydrophobicContact CB-CB 4.29Å; I156-L170 HydrophobicContact CG1-CD2 4.47Å; I156-L170 PolarHBondContact N-O 3.32Å; I156-L170 PolarHBondContact O-N 2.98Å; I156-L276 HydrophobicContact CG2-CD1 4.13Å; I156-L276 HydrophobicContact CG2-CD2 4.23Å; I156-L277 VanDerWaalsContact CD1-O 3.29Å; I156-L277 WeakPolarHBondContact CD1-O 3.23Å; I156-L277 VanDerWaalsContact CG1-O 3.29Å; I156-L277 WeakPolarHBondContact CG1-O 3.44Å; I156-A278 HydrophobicContact CG1-CB 4.16Å |
| 157 | S | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.2 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | W139 F140 H166 D167 | W139-S157 WeakPolarHBondContact CA-O 2.91Å; F140-S157 PolarHBondContact N-O 2.86Å; F140-S157 PolarHBondContact O-N 3.48Å; F140-S157 PolarHBondContact O-OG 2.76Å; S157-H166 PolarHBondContact OG-ND1 2.67Å; S157-D167 CarbonylContact C-O 3.6Å; S157-D167 WeakPolarHBondContact CA-O 3.36Å; S157-D167 WeakPolarHBondContact CB-O 3.4Å |
| 158 | R | 96.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.1 | -178.6 | -176.2 | -176.5 | 177.7 | -77.3 | -3.6 | 108.9 | Y134 A137 W139 D167 I169 | Y134-R158 PolarHBondContact O-NE 2.96Å; Y134-R158 PolarHBondContact O-NH2 2.89Å; A137-R158 HydrophobicContact CB-CG 3.65Å; W139-R158 HydrophobicContact CD2-CB 4.17Å; W139-R158 HydrophobicContact CD2-CG 4.21Å; W139-R158 HydrophobicContact CE3-CB 3.88Å; W139-R158 HydrophobicContact CE3-CG 4.38Å; W139-R158 HydrophobicContact CH2-CB 3.97Å; W139-R158 HydrophobicContact CH2-CG 4.05Å; W139-R158 HydrophobicContact CZ2-CB 4.21Å; W139-R158 HydrophobicContact CZ2-CG 3.82Å; W139-R158 HydrophobicContact CZ3-CB 3.79Å; W139-R158 HydrophobicContact CZ3-CG 4.32Å; R158-D167 PolarHBondContact N-O 2.9Å; R158-D167 PolarHBondContact O-N 3.11Å; R158-I169 HydrophobicContact CB-CD1 4Å; R158-I169 HydrophobicContact CB-CG1 3.6Å |
| 159 | A | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D138 F140 T161 | D138-A159 HydrophobicContact CB-CB 4.44Å; D138-A159 PolarHBondContact N-O 2.81Å; D138-A159 PolarHBondContact O-N 2.84Å; D138-A159 VanDerWaalsContact O-O 3.13Å; F140-A159 HydrophobicContact CD2-CB 4.43Å; F140-A159 HydrophobicContact CE2-CB 3.95Å; A159-T161 PolarHBondContact O-N 3.37Å |
| 160 | P | 91.9 | Very high | 94.5 | Very high | 56 Ų | 56 | 32.7 Ų | 32.7 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | trans | -53 | 134.5 | 166.8 | -24.1 | 33.1 | 0 | 0 | 0 | 110.4 | G162 T163 | P160-G162 PolarHBondContact O-N 2.84Å; P160-T163 HydrophobicContact CB-CG2 3.98Å; P160-T163 WeakPolarHBondContact CD-OG1 3.36Å; P160-T163 WeakPolarHBondContact O-CB 3.35Å; P160-T163 WeakPolarHBondContact O-CG2 3.37Å; P160-T163 PolarHBondContact O-N 2.96Å; P160-T163 PolarHBondContact O-OG1 2.54Å | ||
| 161 | T | 85.8 | Confident | 94.7 | Very high | 102 Ų | 102 | 27.6 Ų | 27.6 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.9 | -167.5 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | D138 A159 T163 | D138-T161 PolarHBondContact OD1-OG1 2.95Å; D138-T161 VanDerWaalsContact OD1-OG1 3.12Å; D138-T161 WeakPolarHBondContact OD2-CA 3.39Å; A159-T161 PolarHBondContact O-N 3.37Å; T161-T163 VanDerWaalsContact C-N 3.33Å |
| 162 | G | 81.4 | Confident | 94.9 | Very high | 73 Ų | 73 | 27.3 Ų | 27.3 | 75% | 0.753 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 6.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | D138 P160 | D138-G162 PolarHBondContact OD2-N 2.82Å; P160-G162 PolarHBondContact O-N 2.84Å |
| 163 | T | 90.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 27.6 Ų | 27.6 | 37% | 0.368 | 17% | 0.165 | S | C | . | . | trans | -97.2 | 160.9 | 170.7 | 71 | 0 | 0 | 0 | 0 | 111.7 | P160 T161 | P160-T163 HydrophobicContact CB-CG2 3.98Å; P160-T163 WeakPolarHBondContact CD-OG1 3.36Å; P160-T163 WeakPolarHBondContact O-CB 3.35Å; P160-T163 WeakPolarHBondContact O-CG2 3.37Å; P160-T163 PolarHBondContact O-N 2.96Å; P160-T163 PolarHBondContact O-OG1 2.54Å; T161-T163 VanDerWaalsContact C-N 3.33Å | ||
| 164 | K | 90.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 27.6 Ų | 27.6 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -106 | 7.7 | 173.7 | -65.1 | 172.8 | 179.1 | 178.8 | 0 | 112.3 | P77 V80 Y81 V82 | P77-K164 PolarHBondContact O-NZ 3.07Å; V80-K164 WeakPolarHBondContact O-CD 3.41Å; Y81-K164 WeakPolarHBondContact CA-O 3.33Å; Y81-K164 HydrophobicContact CD1-CB 4.36Å; V82-K164 PolarHBondContact N-O 3.08Å |
| 165 | E | 93.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 34.3 Ų | 34.3 | 45% | 0.453 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.5 | 176.2 | -69.3 | -169.5 | -131.9 | 0 | 0 | 108.7 | R58 V82 | R58-E165 IonicContact CZ-OE2 2.66Å; R58-E165 IonicContact NH1-OE2 3.99Å; R58-E165 IonicContact NH2-OE2 3.37Å; R58-E165 PolarHBondContact NH2-OE2 3.16Å; V82-E165 HydrophobicContact CB-CG 4.38Å; V82-E165 WeakPolarHBondContact O-CA 3.41Å |
| 166 | H | 95.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.2 | -179.5 | -61.5 | -154.5 | 0 | 0 | 0 | 108.3 | Y81 V82 I83 T84 F140 S157 | Y81-H166 AromaticContact CD1-CE1 3.82Å; Y81-H166 AromaticContact CD1-NE2 3.2Å; Y81-H166 WeakPolarHBondContact CD1-NE2 3.39Å; Y81-H166 AromaticContact CE1-NE2 3.76Å; Y81-H166 AromaticContact CG-NE2 3.78Å; V82-H166 PolarHBondContact O-N 2.66Å; I83-H166 WeakPolarHBondContact CA-O 3.36Å; I83-H166 HydrophobicContact CD1-CB 3.59Å; T84-H166 PolarHBondContact N-O 2.83Å; F140-H166 AromaticContact CD2-CE1 3.17Å; F140-H166 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H166 AromaticContact CD2-ND1 3.49Å; F140-H166 WeakPolarHBondContact CD2-ND1 3.34Å; F140-H166 AromaticContact CD2-NE2 3.96Å; F140-H166 AromaticContact CE2-CE1 3.4Å; F140-H166 VanDerWaalsContact CE2-CE1 3.4Å; F140-H166 WeakPolarHBondContact CE2-CE1 2.99Å; F140-H166 AromaticContact CE2-NE2 3.76Å; F140-H166 AromaticContact CG-CE1 3.66Å; S157-H166 PolarHBondContact OG-ND1 2.67Å |
| 167 | D | 96.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128 | 169.9 | -62.6 | -40.7 | 0 | 0 | 0 | 108.9 | K61 T84 S157 R158 I169 | K61-D167 WeakPolarHBondContact CE-OD1 3.41Å; K61-D167 WeakPolarHBondContact CE-OD2 3.24Å; K61-D167 IonicContact NZ-OD1 2.73Å; K61-D167 PolarHBondContact NZ-OD1 3.29Å; K61-D167 VanDerWaalsContact NZ-OD1 3.11Å; K61-D167 IonicContact NZ-OD2 3.81Å; K61-D167 PolarHBondContact NZ-OD2 3.33Å; T84-D167 WeakPolarHBondContact CB-OD1 3.45Å; T84-D167 PolarHBondContact OG1-OD1 3.21Å; S157-D167 CarbonylContact C-O 3.6Å; S157-D167 WeakPolarHBondContact CA-O 3.36Å; S157-D167 WeakPolarHBondContact CB-O 3.4Å; R158-D167 PolarHBondContact N-O 2.9Å; R158-D167 PolarHBondContact O-N 3.11Å; D167-I169 HydrophobicContact CB-CD1 4.26Å; D167-I169 PolarHBondContact O-N 3.38Å |
| 168 | V | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 122.9 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | I83 T84 D85 L90 T155 W194 | I83-V168 HydrophobicContact CG2-CG2 3.66Å; T84-V168 WeakPolarHBondContact O-CG2 3.26Å; T84-V168 PolarHBondContact O-N 3.43Å; D85-V168 HydrophobicContact CB-CG2 4.07Å; L90-V168 HydrophobicContact CD1-CG2 4.46Å; T155-V168 HydrophobicContact CG2-CG1 4.02Å; T155-V168 HydrophobicContact CG2-CG2 4.41Å; V168-W194 HydrophobicContact CG1-CZ3 4.26Å; V168-W194 WeakPolarHBondContact O-CZ3 3.11Å |
| 169 | I | 97.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -38.2 | -177.2 | -55 | -49 | 0 | 0 | 0 | 111.4 | Y134 W139 I156 R158 D167 V195 D196 T199 L201 L276 | Y134-I169 WeakPolarHBondContact OH-CD1 3.33Å; W139-I169 HydrophobicContact CH2-CG1 4.14Å; W139-I169 HydrophobicContact CH2-CG2 4.39Å; W139-I169 HydrophobicContact CZ3-CB 4.09Å; W139-I169 HydrophobicContact CZ3-CG1 3.77Å; W139-I169 HydrophobicContact CZ3-CG2 4.27Å; I156-I169 PolarHBondContact O-N 3.36Å; R158-I169 HydrophobicContact CB-CD1 4Å; R158-I169 HydrophobicContact CB-CG1 3.6Å; D167-I169 HydrophobicContact CB-CD1 4.26Å; D167-I169 PolarHBondContact O-N 3.38Å; I169-V195 WeakPolarHBondContact O-CA 3.26Å; I169-D196 PolarHBondContact O-N 2.7Å; I169-T199 HydrophobicContact CD1-CG2 4.15Å; I169-T199 HydrophobicContact CG2-CG2 4.24Å; I169-L201 HydrophobicContact CG2-CD1 4.3Å; I169-L276 HydrophobicContact CG2-CD1 4.04Å |
| 170 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.3 | 173.2 | 170.3 | 64.9 | 0 | 0 | 0 | 107.7 | T155 I156 I172 F193 W194 V195 I271 L273 A278 | T155-L170 CarbonylContact C-O 3.52Å; T155-L170 WeakPolarHBondContact CA-O 3.29Å; I156-L170 HydrophobicContact CB-CB 4.29Å; I156-L170 HydrophobicContact CG1-CD2 4.47Å; I156-L170 PolarHBondContact N-O 3.32Å; I156-L170 PolarHBondContact O-N 2.98Å; L170-I172 HydrophobicContact CD1-CG1 4.45Å; L170-F193 HydrophobicContact CD1-CB 4.42Å; L170-F193 HydrophobicContact CD1-CD2 4.28Å; L170-W194 WeakPolarHBondContact CA-O 3.45Å; L170-V195 HydrophobicContact CD1-CG2 4.17Å; L170-I271 HydrophobicContact CD1-CG2 4.28Å; L170-L273 HydrophobicContact CB-CD1 3.99Å; L170-L273 HydrophobicContact CD1-CD1 4.13Å; L170-L273 HydrophobicContact CD2-CD1 4.21Å; L170-L273 HydrophobicContact CD2-CG 4.37Å; L170-L273 HydrophobicContact CG-CD1 4.33Å; L170-A278 HydrophobicContact CD2-CB 3.88Å; L170-A278 HydrophobicContact CG-CB 4.32Å |
| 171 | S | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.5 | 173 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | F193 W194 | S171-F193 CarbonylContact O-C 3.58Å; S171-F193 WeakPolarHBondContact O-CA 3.3Å; S171-F193 WeakPolarHBondContact O-CB 3.5Å; S171-W194 PolarHBondContact N-O 3.29Å; S171-W194 PolarHBondContact O-N 3.17Å |
| 172 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.1 | 171.3 | -55.2 | 173.9 | 0 | 0 | 0 | 107.5 | V153 S154 L170 F193 I271 A278 V280 | V153-I172 CarbonylContact C-O 3.54Å; V153-I172 VanDerWaalsContact CA-O 3.26Å; V153-I172 WeakPolarHBondContact CA-O 3.28Å; S154-I172 PolarHBondContact N-O 3.49Å; S154-I172 PolarHBondContact O-N 3.27Å; L170-I172 HydrophobicContact CD1-CG1 4.45Å; I172-F193 HydrophobicContact CG1-CB 4.09Å; I172-I271 HydrophobicContact CD1-CB 3.68Å; I172-I271 HydrophobicContact CD1-CG1 3.61Å; I172-I271 HydrophobicContact CG1-CB 4.14Å; I172-I271 HydrophobicContact CG1-CG1 3.91Å; I172-A278 HydrophobicContact CD1-CB 3.4Å; I172-A278 VanDerWaalsContact CD1-CB 3.4Å; I172-A278 WeakPolarHBondContact CD1-O 3.38Å; I172-A278 HydrophobicContact CG1-CB 3.95Å; I172-V280 HydrophobicContact CG2-CB 4.36Å; I172-V280 HydrophobicContact CG2-CG1 3.75Å |
| 173 | T | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.6 | 179.6 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | N89 G152 V153 C191 S192 | N89-T173 HydrophobicContact CB-CG2 3.61Å; G152-T173 CarbonylContact O-C 3.48Å; G152-T173 WeakPolarHBondContact O-CA 3.33Å; V153-T173 HydrophobicContact CG1-CG2 4.04Å; V153-T173 HydrophobicContact CG2-CG2 4.04Å; T173-C191 WeakPolarHBondContact O-CA 3.24Å; T173-S192 PolarHBondContact N-O 3.17Å; T173-S192 PolarHBondContact O-N 2.8Å; T173-S192 PolarHBondContact OG1-O 3.42Å |
| 174 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 130.9 | 168.1 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | I151 G152 T176 D190 M282 | I151-S174 CarbonylContact C-O 3.53Å; I151-S174 VanDerWaalsContact CA-O 3.27Å; I151-S174 WeakPolarHBondContact CA-O 3.47Å; I151-S174 WeakPolarHBondContact CG1-O 3.46Å; G152-S174 PolarHBondContact N-O 2.85Å; G152-S174 PolarHBondContact O-N 2.86Å; S174-T176 PolarHBondContact OG-N 3.03Å; S174-D190 WeakPolarHBondContact CA-O 3.45Å; S174-D190 WeakPolarHBondContact CB-O 3.41Å; S174-D190 PolarHBondContact OG-O 2.96Å; S174-M282 WeakPolarHBondContact OG-CE 3.4Å; S174-M282 PolarHBondContact OG-SD 2.86Å; S174-M282 VanDerWaalsContact OG-SD 3.39Å |
| 175 | R | 95.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 41.6 Ų | 41.6 | 58% | 0.581 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -94 | 0.6 | 170.8 | -70 | 169.8 | -78.6 | -142.5 | -4.4 | 113.3 | I151 D190 | I151-R175 HydrophobicContact CG1-CG 4.41Å; R175-D190 WeakPolarHBondContact CB-OD2 3.46Å; R175-D190 PolarHBondContact N-OD2 2.93Å; R175-D190 IonicContact NE-OD2 3.87Å; R175-D190 PolarHBondContact NE-OD2 3.33Å; R175-D190 IonicContact NH2-OD1 2.72Å; R175-D190 IonicContact NH2-OD2 3.76Å |
| 176 | T | 95.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 24% | 0.239 | 22% | 0.217 | C | C | . | . | trans | -120.4 | 49.9 | -177.6 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | S174 S178 D190 M282 | S174-T176 PolarHBondContact OG-N 3.03Å; T176-S178 PolarHBondContact O-N 2.66Å; T176-S178 VanDerWaalsContact O-N 3.16Å; T176-D190 HydrophobicContact CG2-CB 3.91Å; T176-D190 WeakPolarHBondContact OG1-CB 3.45Å; T176-D190 PolarHBondContact OG1-N 3.04Å; T176-M282 WeakPolarHBondContact O-CE 3.08Å; T176-M282 WeakPolarHBondContact OG1-CE 3.42Å | ||
| 177 | M | 95.9 | Very high | 96.6 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -59.2 | -26 | 179.5 | -64 | -58.9 | -69.9 | 0 | 0 | 113.8 | Q149 G152 V280 A281 M282 E283 | Q149-M177 HydrophobicContact CB-CB 4.03Å; Q149-M177 WeakPolarHBondContact O-CB 3.38Å; G152-M177 WeakPolarHBondContact CA-SD 3.46Å; G152-M177 VanDerWaalsContact N-CG 3.34Å; G152-M177 PolarHBondContact N-SD 2.72Å; G152-M177 VanDerWaalsContact N-SD 3.42Å; M177-V280 HydrophobicContact CE-CG2 4.09Å; M177-V280 HydrophobicContact SD-CG2 3.77Å; M177-A281 WeakPolarHBondContact CE-O 3.32Å; M177-M282 WeakPolarHBondContact O-CA 3.3Å; M177-M282 HydrophobicContact SD-CG 4.22Å; M177-E283 PolarHBondContact O-N 2.88Å |
| 178 | S | 95.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127 | 164.3 | -178 | 0 | 0 | 0 | 0 | 109.3 | T176 E283 | T176-S178 PolarHBondContact O-N 2.66Å; T176-S178 VanDerWaalsContact O-N 3.16Å; S178-E283 CarbonylContact C-O 3.58Å; S178-E283 WeakPolarHBondContact CA-O 3.15Å |
| 179 | A | 95.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L189 E283 L284 E285 | A179-L189 HydrophobicContact CB-CD2 3.86Å; A179-E283 PolarHBondContact N-O 2.89Å; A179-L284 HydrophobicContact CB-CD1 3.99Å; A179-E285 PolarHBondContact O-N 2.98Å |
| 180 | K | 95.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.2 | 172.8 | -57.1 | -165.3 | -178.7 | -140.7 | 0 | 109.7 | E285 V287 | K180-E285 WeakPolarHBondContact CA-O 3.17Å; K180-E285 VanDerWaalsContact CE-OE2 3.23Å; K180-E285 WeakPolarHBondContact CE-OE2 3.19Å; K180-E285 HydrophobicContact CG-CB 4.44Å; K180-E285 IonicContact NZ-OE2 2.68Å; K180-E285 PolarHBondContact NZ-OE2 2.82Å; K180-V287 HydrophobicContact CD-CG2 4.23Å |
| 181 | S | 97.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.7 | -179.7 | 178.8 | 0 | 0 | 0 | 0 | 111 | V187 E285 I286 V287 | S181-V187 VanDerWaalsContact OG-CG2 3.25Å; S181-V187 WeakPolarHBondContact OG-CG2 3.31Å; S181-E285 PolarHBondContact N-O 3.18Å; S181-I286 CarbonylContact O-C 3.52Å; S181-I286 WeakPolarHBondContact O-CA 3.27Å; S181-V287 PolarHBondContact O-N 3.25Å |
| 182 | R | 95.9 | Very high | 96.8 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | trans | -84.5 | 168.6 | 174.2 | -65 | 179.6 | 163.8 | -122.2 | -8.3 | 111.7 | G184 E185 A259 E288 | R182-G184 PolarHBondContact O-N 3Å; R182-E185 HydrophobicContact CB-CG 4.07Å; R182-E185 WeakPolarHBondContact CB-OE2 3.42Å; R182-E185 WeakPolarHBondContact CD-OE1 3.47Å; R182-E185 PolarHBondContact N-OE2 3.37Å; R182-E185 PolarHBondContact O-N 2.92Å; R182-A259 WeakPolarHBondContact O-CB 3.37Å; R182-E288 WeakPolarHBondContact CB-OE2 3.41Å | ||
| 183 | L | 95.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 127.3 | 176.9 | -164.3 | 72.4 | 0 | 0 | 0 | 110.7 | E185 V261 I286 E288 T353 | L183-E185 VanDerWaalsContact C-N 3.33Å; L183-E185 PolarHBondContact O-N 2.98Å; L183-V261 HydrophobicContact CD1-CG2 3.79Å; L183-I286 HydrophobicContact CD1-CG2 4.29Å; L183-E288 HydrophobicContact CB-CB 4.33Å; L183-E288 HydrophobicContact CB-CG 4.28Å; L183-E288 PolarHBondContact N-OE2 2.8Å; L183-T353 HydrophobicContact CD2-CG2 3.91Å |
| 184 | G | 95.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -3.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R182 A259 | R182-G184 PolarHBondContact O-N 3Å; G184-A259 PolarHBondContact N-O 2.77Å |
| 185 | E | 96.5 | Very high | 96.7 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | trans | -77.9 | 149 | 172.8 | -75 | 179.1 | 169.2 | 0 | 0 | 111.3 | R182 L183 A259 | R182-E185 HydrophobicContact CB-CG 4.07Å; R182-E185 WeakPolarHBondContact CB-OE2 3.42Å; R182-E185 WeakPolarHBondContact CD-OE1 3.47Å; R182-E185 PolarHBondContact N-OE2 3.37Å; R182-E185 PolarHBondContact O-N 2.92Å; L183-E185 VanDerWaalsContact C-N 3.33Å; L183-E185 PolarHBondContact O-N 2.98Å; E185-A259 WeakPolarHBondContact O-CB 3.33Å; E185-A259 PolarHBondContact O-N 3.01Å | ||
| 186 | P | 96.8 | Very high | 96.7 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 61% | 0.61 | 25% | 0.245 | S | C | * | . | trans | -70.7 | 148 | 171.2 | 29.7 | -34.5 | 0 | 0 | 0 | 111.1 | L256 E257 | P186-L256 CarbonylContact C-O 3.49Å; P186-L256 VanDerWaalsContact CA-O 3.27Å; P186-L256 WeakPolarHBondContact CA-O 3.26Å; P186-E257 WeakPolarHBondContact CA-O 3.39Å | ||
| 187 | V | 96.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.8 | -179.2 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | S181 L189 V255 L256 A259 L284 | S181-V187 VanDerWaalsContact OG-CG2 3.25Å; S181-V187 WeakPolarHBondContact OG-CG2 3.31Å; V187-L189 HydrophobicContact CG1-CD2 4.06Å; V187-L189 HydrophobicContact CG1-CG 4.38Å; V187-V255 CarbonylContact O-C 3.6Å; V187-V255 WeakPolarHBondContact O-CA 3.25Å; V187-L256 HydrophobicContact CB-CB 4.33Å; V187-L256 PolarHBondContact N-O 2.83Å; V187-L256 PolarHBondContact O-N 2.97Å; V187-A259 HydrophobicContact CG2-CB 3.93Å; V187-L284 HydrophobicContact CG1-CD1 3.84Å; V187-L284 HydrophobicContact CG1-CD2 4.19Å |
| 188 | T | 97.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123 | 168.9 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | L254 V255 | T188-L254 CarbonylContact C-O 3.57Å; T188-L254 WeakPolarHBondContact CA-O 3.47Å; T188-V255 HydrophobicContact CG2-CG2 4.26Å |
| 189 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 104.8 | 170.7 | -63.7 | -174.8 | 0 | 0 | 0 | 108.1 | A179 V187 C191 W210 S253 L254 Y267 M282 | A179-L189 HydrophobicContact CB-CD2 3.86Å; V187-L189 HydrophobicContact CG1-CD2 4.06Å; V187-L189 HydrophobicContact CG1-CG 4.38Å; L189-C191 PolarHBondContact O-N 3.07Å; L189-W210 HydrophobicContact CB-CH2 3.65Å; L189-W210 HydrophobicContact CB-CZ2 4.42Å; L189-W210 HydrophobicContact CB-CZ3 4.11Å; L189-W210 HydrophobicContact CD1-CZ3 4.14Å; L189-S253 CarbonylContact O-C 3.58Å; L189-S253 VanDerWaalsContact O-CA 3.22Å; L189-S253 WeakPolarHBondContact O-CA 3.42Å; L189-S253 WeakPolarHBondContact O-CB 3.24Å; L189-L254 HydrophobicContact CB-CB 4.43Å; L189-L254 HydrophobicContact CD1-CD2 4.48Å; L189-L254 PolarHBondContact N-O 3.12Å; L189-L254 PolarHBondContact O-N 3.44Å; L189-L254 VanDerWaalsContact O-N 3.1Å; L189-Y267 HydrophobicContact CD1-CD1 3.82Å; L189-Y267 HydrophobicContact CD1-CD2 3.78Å; L189-Y267 HydrophobicContact CD1-CE1 4.4Å; L189-Y267 HydrophobicContact CD1-CE2 4.37Å; L189-Y267 HydrophobicContact CD1-CG 3.48Å; L189-Y267 VanDerWaalsContact CD1-CG 3.48Å; L189-M282 HydrophobicContact CB-CE 3.6Å; L189-M282 HydrophobicContact CD2-CE 4.23Å; L189-M282 HydrophobicContact CG-CE 4.39Å |
| 190 | D | 98.1 | Very high | 96 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | trans | -60 | 119.3 | -179.1 | -177.8 | 59.2 | 0 | 0 | 0 | 110.6 | S174 R175 T176 S253 M282 | S174-D190 WeakPolarHBondContact CA-O 3.45Å; S174-D190 WeakPolarHBondContact CB-O 3.41Å; S174-D190 PolarHBondContact OG-O 2.96Å; R175-D190 WeakPolarHBondContact CB-OD2 3.46Å; R175-D190 PolarHBondContact N-OD2 2.93Å; R175-D190 IonicContact NE-OD2 3.87Å; R175-D190 PolarHBondContact NE-OD2 3.33Å; R175-D190 IonicContact NH2-OD1 2.72Å; R175-D190 IonicContact NH2-OD2 3.76Å; T176-D190 HydrophobicContact CG2-CB 3.91Å; T176-D190 WeakPolarHBondContact OG1-CB 3.45Å; T176-D190 PolarHBondContact OG1-N 3.04Å; D190-S253 WeakPolarHBondContact CA-OG 3.26Å; D190-M282 WeakPolarHBondContact O-CE 3.32Å | ||
| 191 | C | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -141.3 | 115.6 | 167.3 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | T173 L189 W210 N251 A252 S253 C269 | T173-C191 WeakPolarHBondContact O-CA 3.24Å; L189-C191 PolarHBondContact O-N 3.07Å; C191-W210 HydrophobicContact CB-CH2 3.97Å; C191-W210 HydrophobicContact CB-CZ2 3.45Å; C191-W210 VanDerWaalsContact CB-CZ2 3.45Å; C191-N251 PolarHBondContact O-OD1 2.8Å; C191-A252 HydrophobicContact CB-CB 4.49Å; C191-A252 CarbonylContact O-C 3.53Å; C191-A252 VanDerWaalsContact O-C 3.25Å; C191-A252 WeakPolarHBondContact O-CA 3.44Å; C191-A252 PolarHBondContact O-N 3.46Å; C191-S253 PolarHBondContact N-OG 3.36Å; C191-S253 PolarHBondContact O-N 2.96Å; C191-S253 PolarHBondContact O-OG 2.8Å; C191-C269 HydrophobicContact CB-CB 3.73Å; C191-C269 WeakPolarHBondContact CB-SG 3.38Å; C191-C269 WeakPolarHBondContact SG-CB 3.44Å; C191-C269 CovalentContact SG-SG 2.04Å; C191-C269 PolarHBondContact SG-SG 3.37Å | ||
| 192 | S | 97.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133 | 178.7 | -65.2 | 0 | 0 | 0 | 0 | 109.6 | T173 G250 | T173-S192 PolarHBondContact N-O 3.17Å; T173-S192 PolarHBondContact O-N 2.8Å; T173-S192 PolarHBondContact OG1-O 3.42Å; S192-G250 CarbonylContact C-O 3.58Å; S192-G250 WeakPolarHBondContact CA-O 3.5Å |
| 193 | F | 97.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.1 | 179 | 74.8 | -87 | 0 | 0 | 0 | 113.1 | L170 S171 I172 V195 F206 L246 G250 A252 I271 | L170-F193 HydrophobicContact CD1-CB 4.42Å; L170-F193 HydrophobicContact CD1-CD2 4.28Å; S171-F193 CarbonylContact O-C 3.58Å; S171-F193 WeakPolarHBondContact O-CA 3.3Å; S171-F193 WeakPolarHBondContact O-CB 3.5Å; I172-F193 HydrophobicContact CG1-CB 4.09Å; F193-V195 HydrophobicContact CD2-CG2 3.78Å; F193-V195 HydrophobicContact CE2-CG2 3.81Å; F193-F206 HydrophobicContact CE1-CD2 4.3Å; F193-F206 HydrophobicContact CE1-CE2 4.41Å; F193-F206 HydrophobicContact CE2-CG 4.33Å; F193-F206 HydrophobicContact CZ-CB 4.39Å; F193-F206 HydrophobicContact CZ-CD1 4.12Å; F193-F206 AromaticContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CE1 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.03Å; F193-F206 AromaticContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CZ 4.35Å; F193-L246 HydrophobicContact CE1-CD1 3.75Å; F193-L246 HydrophobicContact CZ-CD1 4.47Å; F193-G250 WeakPolarHBondContact CD1-O 3.46Å; F193-G250 WeakPolarHBondContact CE1-O 3.24Å; F193-G250 PolarHBondContact N-O 3.03Å; F193-A252 HydrophobicContact CD1-CB 4.15Å; F193-A252 HydrophobicContact CE1-CB 4.34Å; F193-I271 HydrophobicContact CB-CG1 3.99Å; F193-I271 HydrophobicContact CB-CG2 4.43Å; F193-I271 HydrophobicContact CD1-CD1 3.66Å; F193-I271 HydrophobicContact CD1-CG1 3.89Å; F193-I271 HydrophobicContact CD1-CG2 4.1Å; F193-I271 HydrophobicContact CD2-CG2 3.92Å; F193-I271 HydrophobicContact CE1-CD1 4.08Å; F193-I271 HydrophobicContact CE1-CG2 4.34Å; F193-I271 HydrophobicContact CE2-CG2 4.18Å; F193-I271 HydrophobicContact CG-CB 4.48Å; F193-I271 HydrophobicContact CG-CD1 4.3Å; F193-I271 HydrophobicContact CG-CG1 4.02Å; F193-I271 HydrophobicContact CG-CG2 3.89Å; F193-I271 HydrophobicContact CZ-CG2 4.39Å |
| 194 | W | 97.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.8 | 174.7 | 175.4 | 88.4 | 0 | 0 | 0 | 109.2 | P86 V168 L170 S171 D196 | P86-W194 HydrophobicContact CB-CH2 3.96Å; P86-W194 HydrophobicContact CB-CZ2 3.94Å; P86-W194 HydrophobicContact CG-CH2 3.91Å; P86-W194 HydrophobicContact CG-CZ2 4.37Å; V168-W194 HydrophobicContact CG1-CZ3 4.26Å; V168-W194 WeakPolarHBondContact O-CZ3 3.11Å; L170-W194 WeakPolarHBondContact CA-O 3.45Å; S171-W194 PolarHBondContact N-O 3.29Å; S171-W194 PolarHBondContact O-N 3.17Å; W194-D196 VanDerWaalsContact CH2-CA 3.47Å; W194-D196 HydrophobicContact CH2-CB 3.59Å; W194-D196 HydrophobicContact CZ2-CB 4.29Å; W194-D196 HydrophobicContact CZ3-CB 3.97Å |
| 195 | V | 96.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.5 | 177.7 | -172 | 0 | 0 | 0 | 0 | 107.9 | I169 L170 F193 P197 L273 | I169-V195 WeakPolarHBondContact O-CA 3.26Å; L170-V195 HydrophobicContact CD1-CG2 4.17Å; F193-V195 HydrophobicContact CD2-CG2 3.78Å; F193-V195 HydrophobicContact CE2-CG2 3.81Å; V195-P197 VanDerWaalsContact O-CD 3.24Å; V195-P197 WeakPolarHBondContact O-CD 3.46Å; V195-L273 HydrophobicContact CB-CD1 4.49Å; V195-L273 HydrophobicContact CG1-CD1 3.67Å; V195-L273 HydrophobicContact CG1-CD2 4.42Å; V195-L273 HydrophobicContact CG2-CD1 4.02Å; V195-L273 HydrophobicContact CG2-CD2 4Å |
| 196 | D | 95.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | trans | -65.3 | 113.2 | 177.2 | 178.5 | -1.6 | 0 | 0 | 0 | 110.6 | I169 W194 S198 T199 | I169-D196 PolarHBondContact O-N 2.7Å; W194-D196 VanDerWaalsContact CH2-CA 3.47Å; W194-D196 HydrophobicContact CH2-CB 3.59Å; W194-D196 HydrophobicContact CZ2-CB 4.29Å; W194-D196 HydrophobicContact CZ3-CB 3.97Å; D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.45Å; D196-S198 PolarHBondContact OD1-N 3.39Å; D196-S198 PolarHBondContact OD1-OG 2.04Å; D196-S198 PolarHBondContact OD2-OG 2.97Å; D196-T199 HydrophobicContact CB-CG2 3.69Å; D196-T199 WeakPolarHBondContact O-CB 3.36Å; D196-T199 WeakPolarHBondContact O-CG2 3.46Å; D196-T199 PolarHBondContact O-N 2.89Å; D196-T199 PolarHBondContact O-OG1 3.21Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å | ||
| 197 | P | 94.3 | Very high | 94.3 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 65% | 0.649 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.8 | -177.1 | 32.8 | -37 | 0 | 0 | 0 | 113 | V195 T199 | V195-P197 VanDerWaalsContact O-CD 3.24Å; V195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-T199 PolarHBondContact O-N 2.86Å |
| 198 | S | 91.9 | Very high | 94.4 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 69% | 0.692 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -5.3 | 172.4 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | D196 | D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.45Å; D196-S198 PolarHBondContact OD1-N 3.39Å; D196-S198 PolarHBondContact OD1-OG 2.04Å; D196-S198 PolarHBondContact OD2-OG 2.97Å |
| 199 | T | 91.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -103.7 | 145.3 | -172.1 | 75 | 0 | 0 | 0 | 0 | 112.8 | Y134 I169 D196 P197 L201 S202 | Y134-T199 HydrophobicContact CE1-CG2 4.43Å; Y134-T199 WeakPolarHBondContact OH-CG2 3.48Å; I169-T199 HydrophobicContact CD1-CG2 4.15Å; I169-T199 HydrophobicContact CG2-CG2 4.24Å; D196-T199 HydrophobicContact CB-CG2 3.69Å; D196-T199 WeakPolarHBondContact O-CB 3.36Å; D196-T199 WeakPolarHBondContact O-CG2 3.46Å; D196-T199 PolarHBondContact O-N 2.89Å; D196-T199 PolarHBondContact O-OG1 3.21Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å; P197-T199 PolarHBondContact O-N 2.86Å; T199-L201 PolarHBondContact O-N 2.81Å; T199-L201 VanDerWaalsContact O-N 3.09Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 VanDerWaalsContact O-N 3.17Å; T199-S202 PolarHBondContact O-OG 2.94Å |
| 200 | P | 90.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.9 | 175.9 | 30.1 | -36.6 | 0 | 0 | 0 | 113.3 | Y134 S204 | Y134-P200 HydrophobicContact CD1-CG 4.23Å; Y134-P200 HydrophobicContact CD2-CG 4.18Å; Y134-P200 HydrophobicContact CG-CG 3.89Å; P200-S204 PolarHBondContact O-OG 3.2Å |
| 201 | L | 90.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -28.6 | 176.6 | -60 | -178.7 | 0 | 0 | 0 | 111.9 | Y134 L135 W139 I169 T199 E203 S204 P274 L276 | Y134-L201 HydrophobicContact CD1-CD1 4.29Å; Y134-L201 HydrophobicContact CD1-CG 4.34Å; Y134-L201 HydrophobicContact CE1-CD1 4.15Å; Y134-L201 HydrophobicContact CE1-CG 4.43Å; L135-L201 HydrophobicContact CD2-CD1 4.45Å; W139-L201 HydrophobicContact CH2-CD1 4.39Å; I169-L201 HydrophobicContact CG2-CD1 4.3Å; T199-L201 PolarHBondContact O-N 2.81Å; T199-L201 VanDerWaalsContact O-N 3.09Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-S204 PolarHBondContact O-N 2.61Å; L201-P274 HydrophobicContact CD2-CB 4.1Å; L201-P274 HydrophobicContact CD2-CG 4.37Å; L201-L276 HydrophobicContact CD1-CD1 3.5Å; L201-L276 HydrophobicContact CD1-CG 4.08Å |
| 202 | S | 88.9 | Confident | 94.1 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -63.9 | -38.8 | -179.2 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | T199 S204 | T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 VanDerWaalsContact O-N 3.17Å; T199-S202 PolarHBondContact O-OG 2.94Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 3.42Å |
| 203 | E | 85.3 | Confident | 93.9 | Very high | 179 Ų | 179 | 42.9 Ų | 42.9 | 84% | 0.836 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -78.5 | -9.9 | 178.7 | -59.6 | -173.4 | 156.9 | 0 | 0 | 113.8 | L201 G205 | L201-E203 PolarHBondContact O-N 3.16Å; E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.89Å |
| 204 | S | 87.4 | Confident | 93.6 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -87.3 | -0.4 | -172.5 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | P200 L201 S202 | P200-S204 PolarHBondContact O-OG 3.2Å; L201-S204 PolarHBondContact O-N 2.61Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 3.42Å |
| 205 | G | 92.8 | Very high | 93 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | 84.4 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E203 | E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.89Å | ||
| 206 | F | 96.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | trans | -136.2 | 165.5 | -178.7 | 63.6 | -89.7 | 0 | 0 | 0 | 110.6 | F193 V208 Y224 G226 L246 H247 Y272 L273 | F193-F206 HydrophobicContact CE1-CD2 4.3Å; F193-F206 HydrophobicContact CE1-CE2 4.41Å; F193-F206 HydrophobicContact CE2-CG 4.33Å; F193-F206 HydrophobicContact CZ-CB 4.39Å; F193-F206 HydrophobicContact CZ-CD1 4.12Å; F193-F206 AromaticContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CE1 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.03Å; F193-F206 AromaticContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CZ 4.35Å; F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 4.03Å; F206-Y224 HydrophobicContact CE2-CD1 4.42Å; F206-Y224 HydrophobicContact CE2-CE1 4.14Å; F206-Y224 HydrophobicContact CZ-CE1 4.45Å; F206-G226 VanDerWaalsContact O-CA 3.25Å; F206-G226 WeakPolarHBondContact O-CA 3.44Å; F206-G226 PolarHBondContact O-N 2.77Å; F206-L246 HydrophobicContact CE2-CD1 3.84Å; F206-L246 HydrophobicContact CE2-CD2 4.05Å; F206-L246 HydrophobicContact CE2-CG 3.85Å; F206-L246 HydrophobicContact CZ-CD1 4.25Å; F206-L246 HydrophobicContact CZ-CD2 4.4Å; F206-L246 HydrophobicContact CZ-CG 3.93Å; F206-H247 AromaticContact CZ-CD2 3.77Å; F206-H247 AromaticContact CZ-NE2 3.97Å; F206-Y272 CarbonylContact C-O 3.55Å; F206-Y272 VanDerWaalsContact CA-O 3.28Å; F206-Y272 WeakPolarHBondContact CA-O 3.49Å; F206-L273 HydrophobicContact CB-CD2 3.91Å | ||
| 207 | A | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V122 L125 Y224 Y272 | V122-A207 HydrophobicContact CG1-CB 4.35Å; V122-A207 HydrophobicContact CG2-CB 4.28Å; L125-A207 HydrophobicContact CD1-CB 4.18Å; A207-Y224 CarbonylContact C-O 3.57Å; A207-Y224 WeakPolarHBondContact CA-O 3.45Å; A207-Y224 WeakPolarHBondContact CB-O 3.16Å; A207-Y272 HydrophobicContact CB-CD2 4.5Å; A207-Y272 PolarHBondContact N-O 2.88Å; A207-Y272 PolarHBondContact O-N 3.35Å |
| 208 | V | 97.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 109 | F206 A223 Y224 L241 L246 A252 I271 | F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 4.03Å; V208-A223 CarbonylContact O-C 3.6Å; V208-A223 VanDerWaalsContact O-CA 3.3Å; V208-A223 WeakPolarHBondContact O-CA 3.4Å; V208-Y224 HydrophobicContact CG2-CD1 4.43Å; V208-Y224 PolarHBondContact N-O 3.1Å; V208-Y224 PolarHBondContact O-N 3.36Å; V208-L241 HydrophobicContact CB-CD1 4.28Å; V208-L241 HydrophobicContact CG1-CD1 4.03Å; V208-L246 HydrophobicContact CG2-CD1 3.88Å; V208-L246 HydrophobicContact CG2-CD2 4.23Å; V208-A252 HydrophobicContact CG1-CB 3.89Å; V208-A252 HydrophobicContact CG2-CB 4.1Å; V208-I271 HydrophobicContact CB-CD1 4.24Å; V208-I271 HydrophobicContact CG1-CD1 4.01Å; V208-I271 HydrophobicContact CG2-CD1 3.83Å |
| 209 | E | 96.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.5 | 171.1 | 177.1 | 171.2 | 143.3 | 0 | 0 | 110.6 | L119 W121 R211 L220 T270 Y272 | L119-E209 VanDerWaalsContact CD1-OE2 3.3Å; L119-E209 WeakPolarHBondContact CD1-OE2 3.07Å; W121-E209 VanDerWaalsContact CZ2-OE2 3.28Å; W121-E209 WeakPolarHBondContact CZ2-OE2 3.48Å; W121-E209 PolarHBondContact NE1-OE2 2.83Å; E209-R211 HydrophobicContact CG-CG 3.9Å; E209-R211 WeakPolarHBondContact OE1-CD 3.23Å; E209-R211 WeakPolarHBondContact OE1-CG 3.39Å; E209-R211 IonicContact OE1-CZ 2.72Å; E209-R211 IonicContact OE1-NE 2.64Å; E209-R211 IonicContact OE1-NH1 3.67Å; E209-R211 PolarHBondContact OE1-NH1 3.45Å; E209-L220 HydrophobicContact CG-CD1 3.66Å; E209-T270 PolarHBondContact N-O 2.85Å; E209-T270 PolarHBondContact O-N 2.83Å; E209-Y272 HydrophobicContact CB-CE2 3.77Å |
| 210 | W | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.7 | 166.4 | -80.8 | 94.9 | 0 | 0 | 0 | 109.9 | L189 C191 V221 L222 A252 L254 Y267 I268 C269 M282 | L189-W210 HydrophobicContact CB-CH2 3.65Å; L189-W210 HydrophobicContact CB-CZ2 4.42Å; L189-W210 HydrophobicContact CB-CZ3 4.11Å; L189-W210 HydrophobicContact CD1-CZ3 4.14Å; C191-W210 HydrophobicContact CB-CH2 3.97Å; C191-W210 HydrophobicContact CB-CZ2 3.45Å; C191-W210 VanDerWaalsContact CB-CZ2 3.45Å; W210-V221 HydrophobicContact CB-CB 4.31Å; W210-V221 WeakPolarHBondContact O-CB 3.32Å; W210-V221 PolarHBondContact O-N 2.97Å; W210-L222 HydrophobicContact CB-CB 4.38Å; W210-L222 PolarHBondContact N-O 2.04Å; W210-L222 PolarHBondContact O-N 2.83Å; W210-A252 PolarHBondContact NE1-O 3.4Å; W210-L254 HydrophobicContact CB-CD2 4.25Å; W210-L254 HydrophobicContact CD2-CB 3.65Å; W210-L254 HydrophobicContact CD2-CD2 3.95Å; W210-L254 HydrophobicContact CD2-CG 4.36Å; W210-L254 HydrophobicContact CE3-CB 4.17Å; W210-L254 HydrophobicContact CE3-CD2 3.99Å; W210-L254 HydrophobicContact CG-CB 4.01Å; W210-L254 HydrophobicContact CG-CD1 4.45Å; W210-L254 HydrophobicContact CG-CD2 4.09Å; W210-L254 HydrophobicContact CG-CG 4.43Å; W210-L254 HydrophobicContact CH2-CB 4.12Å; W210-L254 HydrophobicContact CZ2-CB 3.62Å; W210-L254 HydrophobicContact CZ3-CB 4.39Å; W210-Y267 HydrophobicContact CE3-CD1 4.37Å; W210-I268 WeakPolarHBondContact CA-O 3.48Å; W210-C269 HydrophobicContact CD2-CB 4.02Å; W210-C269 HydrophobicContact CE3-CB 4Å; W210-C269 HydrophobicContact CH2-CB 3.66Å; W210-C269 HydrophobicContact CZ2-CB 3.63Å; W210-C269 HydrophobicContact CZ3-CB 3.81Å; W210-M282 HydrophobicContact CH2-CE 4.14Å; W210-M282 HydrophobicContact CH2-SD 3.73Å; W210-M282 HydrophobicContact CZ3-SD 4.03Å |
| 211 | R | 95.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 32% | 0.317 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.3 | 171 | -54.6 | -173.3 | 72.5 | 78.1 | 2.5 | 110.4 | E209 Y267 I268 | E209-R211 HydrophobicContact CG-CG 3.9Å; E209-R211 WeakPolarHBondContact OE1-CD 3.23Å; E209-R211 WeakPolarHBondContact OE1-CG 3.39Å; E209-R211 IonicContact OE1-CZ 2.72Å; E209-R211 IonicContact OE1-NE 2.64Å; E209-R211 IonicContact OE1-NH1 3.67Å; E209-R211 PolarHBondContact OE1-NH1 3.45Å; R211-Y267 CarbonylContact O-C 3.6Å; R211-Y267 WeakPolarHBondContact O-CA 3.18Å; R211-I268 HydrophobicContact CB-CB 4.42Å; R211-I268 PolarHBondContact N-O 3.44Å; R211-I268 PolarHBondContact O-N 3.04Å |
| 212 | Y | 95.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.8 | 165.8 | 168.6 | -98 | 0 | 0 | 0 | 109 | T214 G218 R219 R262 S264 Y267 | Y212-T214 HydrophobicContact CE1-CG2 3.56Å; Y212-T214 WeakPolarHBondContact OH-CB 3.34Å; Y212-T214 WeakPolarHBondContact OH-CG2 3.05Å; Y212-G218 CarbonylContact O-C 3.6Å; Y212-G218 VanDerWaalsContact O-CA 3.24Å; Y212-G218 WeakPolarHBondContact O-CA 3.06Å; Y212-R219 HydrophobicContact CD1-CG 4.01Å; Y212-R219 PolarHBondContact N-O 3.44Å; Y212-R219 PolarHBondContact O-N 3.47Å; Y212-R262 PolarHBondContact OH-O 2.79Å; Y212-R262 VanDerWaalsContact OH-O 3.04Å; Y212-S264 PolarHBondContact OH-O 3.1Å; Y212-Y267 HydrophobicContact CD2-CD2 4.06Å; Y212-Y267 HydrophobicContact CD2-CE1 4.17Å; Y212-Y267 AromaticContact CD2-CE2 3.55Å; Y212-Y267 HydrophobicContact CD2-CE2 3.55Å; Y212-Y267 AromaticContact CD2-CZ 3.61Å; Y212-Y267 AromaticContact CE2-CE2 4Å; Y212-Y267 HydrophobicContact CE2-CE2 4Å |
| 213 | Q | 94.2 | Very high | 92.5 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.6 | 176.8 | -165.8 | 173 | 14.7 | 0 | 0 | 110.6 | D217 T266 | Q213-D217 CarbonylContact C-O 3.54Å; Q213-D217 WeakPolarHBondContact CA-O 3.06Å; Q213-D217 WeakPolarHBondContact CG-O 3.45Å; Q213-T266 PolarHBondContact N-O 3.21Å; Q213-T266 PolarHBondContact O-N 3.16Å |
| 214 | T | 91.8 | Very high | 93 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 129.1 | 174.9 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | Y212 G216 D217 | Y212-T214 HydrophobicContact CE1-CG2 3.56Å; Y212-T214 WeakPolarHBondContact OH-CB 3.34Å; Y212-T214 WeakPolarHBondContact OH-CG2 3.05Å; T214-G216 PolarHBondContact O-N 3.2Å; T214-D217 PolarHBondContact N-O 2.82Å; T214-D217 PolarHBondContact O-N 3.02Å |
| 215 | R | 84.9 | Confident | 93.4 | Very high | 252 Ų | 252 | 40.8 Ų | 40.8 | 95% | 0.951 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 28.8 | 173.3 | -55.5 | -178.7 | 179.1 | -173.8 | -0.7 | 115.4 | ||
| 216 | G | 82.3 | Confident | 93.4 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -11.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T214 | T214-G216 PolarHBondContact O-N 3.2Š|
| 217 | D | 85.8 | Confident | 93.3 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 147 | 165.8 | -174.6 | 25.1 | 0 | 0 | 0 | 110 | Q213 T214 | Q213-D217 CarbonylContact C-O 3.54Å; Q213-D217 WeakPolarHBondContact CA-O 3.06Å; Q213-D217 WeakPolarHBondContact CG-O 3.45Å; T214-D217 PolarHBondContact N-O 2.82Å; T214-D217 PolarHBondContact O-N 3.02Å |
| 218 | G | 89.1 | Confident | 93.2 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 127.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y212 | Y212-G218 CarbonylContact O-C 3.6Å; Y212-G218 VanDerWaalsContact O-CA 3.24Å; Y212-G218 WeakPolarHBondContact O-CA 3.06Å |
| 219 | R | 91.8 | Very high | 93 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.275 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.3 | -173.5 | 68.4 | -159.8 | -177.8 | 114.1 | 9.6 | 112.1 | Y212 E236 | Y212-R219 HydrophobicContact CD1-CG 4.01Å; Y212-R219 PolarHBondContact N-O 3.44Å; Y212-R219 PolarHBondContact O-N 3.47Å; R219-E236 IonicContact CZ-OE2 2.63Å; R219-E236 IonicContact NH1-OE2 3.3Å; R219-E236 PolarHBondContact NH1-OE2 3.28Å; R219-E236 IonicContact NH2-OE2 3.95Å; R219-E236 PolarHBondContact NH2-OE2 2.74Å |
| 220 | L | 93.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.1 | 170.7 | -176.5 | 64.4 | 0 | 0 | 0 | 109.2 | W121 E209 A223 T234 | W121-L220 HydrophobicContact CH2-CD2 4.08Å; W121-L220 HydrophobicContact CZ2-CD1 4.48Å; W121-L220 HydrophobicContact CZ2-CD2 4.18Å; W121-L220 HydrophobicContact CZ3-CD2 4.32Å; E209-L220 HydrophobicContact CG-CD1 3.66Å; L220-A223 HydrophobicContact CD1-CB 3.99Å; L220-A223 HydrophobicContact CD2-CB 4.01Å; L220-A223 HydrophobicContact CG-CB 4.49Å; L220-T234 HydrophobicContact CD2-CG2 3.84Å; L220-T234 HydrophobicContact CG-CG2 3.92Å |
| 221 | V | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -48.2 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | W210 T234 E236 A239 L254 Y267 | W210-V221 HydrophobicContact CB-CB 4.31Å; W210-V221 WeakPolarHBondContact O-CB 3.32Å; W210-V221 PolarHBondContact O-N 2.97Å; V221-T234 WeakPolarHBondContact O-CB 3.38Å; V221-T234 PolarHBondContact O-OG1 2.92Å; V221-E236 HydrophobicContact CG1-CB 4.36Å; V221-E236 HydrophobicContact CG1-CG 4.45Å; V221-A239 HydrophobicContact CG1-CB 3.84Å; V221-L254 HydrophobicContact CG1-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CD2 4.09Å; V221-Y267 HydrophobicContact CG2-CD1 4.5Å; V221-Y267 HydrophobicContact CG2-CE1 4.1Å |
| 222 | L | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 137 | -179.4 | -172.3 | 150 | 0 | 0 | 0 | 108.9 | W210 L231 L241 | W210-L222 HydrophobicContact CB-CB 4.38Å; W210-L222 PolarHBondContact N-O 2.04Å; W210-L222 PolarHBondContact O-N 2.83Å; L222-L231 HydrophobicContact CD1-CD1 4.29Å; L222-L231 HydrophobicContact CD2-CD1 3.98Å; L222-L231 HydrophobicContact CG-CD1 3.94Å; L222-L241 HydrophobicContact CD1-CD2 4.43Å; L222-L241 HydrophobicContact CD1-CG 3.93Å; L222-L241 HydrophobicContact CD2-CD1 3.58Å; L222-L241 HydrophobicContact CD2-CD2 4.27Å; L222-L241 HydrophobicContact CD2-CG 3.72Å |
| 223 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W121 V208 L220 L231 A232 | W121-A223 HydrophobicContact CD2-CB 4.22Å; W121-A223 HydrophobicContact CG-CB 3.93Å; V208-A223 CarbonylContact O-C 3.6Å; V208-A223 VanDerWaalsContact O-CA 3.3Å; V208-A223 WeakPolarHBondContact O-CA 3.4Å; L220-A223 HydrophobicContact CD1-CB 3.99Å; L220-A223 HydrophobicContact CD2-CB 4.01Å; L220-A223 HydrophobicContact CG-CB 4.49Å; A223-L231 WeakPolarHBondContact O-CD1 3.44Å; A223-A232 HydrophobicContact CB-CB 3.91Å; A223-A232 PolarHBondContact O-N 2.73Å |
| 224 | Y | 96 | Very high | 91.1 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.9 | -175.6 | 172.5 | -106.2 | 0 | 0 | 0 | 110.6 | F206 A207 V208 D229 L231 F243 L246 H247 | F206-Y224 HydrophobicContact CE2-CD1 4.42Å; F206-Y224 HydrophobicContact CE2-CE1 4.14Å; F206-Y224 HydrophobicContact CZ-CE1 4.45Å; A207-Y224 CarbonylContact C-O 3.57Å; A207-Y224 WeakPolarHBondContact CA-O 3.45Å; A207-Y224 WeakPolarHBondContact CB-O 3.16Å; V208-Y224 HydrophobicContact CG2-CD1 4.43Å; V208-Y224 PolarHBondContact N-O 3.1Å; V208-Y224 PolarHBondContact O-N 3.36Å; Y224-D229 WeakPolarHBondContact CE2-OD1 3.34Å; Y224-D229 PolarHBondContact OH-OD1 3.41Å; Y224-L231 HydrophobicContact CD2-CD1 4.34Å; Y224-F243 HydrophobicContact CD1-CE1 4.4Å; Y224-F243 HydrophobicContact CD2-CD1 4.25Å; Y224-F243 AromaticContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CZ 4.43Å; Y224-F243 HydrophobicContact CE1-CD1 4.36Å; Y224-F243 HydrophobicContact CE1-CE1 4.5Å; Y224-F243 AromaticContact CE2-CD1 3.97Å; Y224-F243 HydrophobicContact CE2-CD1 3.97Å; Y224-F243 AromaticContact CE2-CE1 3.68Å; Y224-F243 HydrophobicContact CE2-CE1 3.68Å; Y224-F243 AromaticContact CG-CE1 3.94Å; Y224-F243 HydrophobicContact CG-CE1 3.94Å; Y224-L246 HydrophobicContact CD1-CD2 3.6Å; Y224-L246 HydrophobicContact CE1-CD2 3.57Å; Y224-H247 AromaticContact CZ-CE1 3.88Å; Y224-H247 AromaticContact CZ-NE2 3.92Å; Y224-H247 PolarHBondContact OH-CE1 3.35Å; Y224-H247 PolarHBondContact OH-NE2 3.32Å |
| 225 | D | 95.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.011 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 98.9 | 174.5 | -178.8 | -13.7 | 0 | 0 | 0 | 108.7 | S124 K227 L228 D229 R230 | S124-D225 WeakPolarHBondContact CB-OD2 3.28Å; S124-D225 PolarHBondContact OG-OD1 3.15Å; S124-D225 PolarHBondContact OG-OD2 2.9Å; D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.99Å; D225-K227 PolarHBondContact OD1-N 2.75Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; D225-L228 PolarHBondContact O-N 3.02Å; D225-L228 PolarHBondContact OD1-N 3.08Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.13Å; D225-D229 WeakPolarHBondContact O-CA 3.5Å; D225-D229 PolarHBondContact O-N 2.92Å; D225-R230 HydrophobicContact CB-CB 4.41Å; D225-R230 WeakPolarHBondContact CB-O 3.48Å; D225-R230 PolarHBondContact N-O 1.85Å; D225-R230 PolarHBondContact O-N 3.42Å; D225-R230 IonicContact OD2-NH2 2.72Å; D225-R230 PolarHBondContact OD2-NH2 2.53Å |
| 226 | G | 94.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F206 | F206-G226 VanDerWaalsContact O-CA 3.25Å; F206-G226 WeakPolarHBondContact O-CA 3.44Å; F206-G226 PolarHBondContact O-N 2.77Å |
| 227 | K | 93.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -35.9 | 170.3 | -178.2 | -177 | 164.5 | -170.5 | 0 | 111.2 | S124 L125 E127 D225 | S124-K227 WeakPolarHBondContact O-CD 3.21Å; S124-K227 PolarHBondContact O-NZ 2.93Å; L125-K227 HydrophobicContact CD2-CB 3.86Å; L125-K227 HydrophobicContact CD2-CD 4.26Å; E127-K227 IonicContact OE2-NZ 3.14Å; E127-K227 PolarHBondContact OE2-NZ 3.35Å; D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.99Å; D225-K227 PolarHBondContact OD1-N 2.75Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å |
| 228 | L | 94.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 59.6 Ų | 59.6 | 45% | 0.445 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1.9 | -179.1 | -59.9 | -175.4 | 0 | 0 | 0 | 114.4 | D225 R230 | D225-L228 PolarHBondContact O-N 3.02Å; D225-L228 PolarHBondContact OD1-N 3.08Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.13Å; L228-R230 HydrophobicContact CB-CB 4.39Å; L228-R230 PolarHBondContact O-N 2.84Å |
| 229 | D | 93.8 | Very high | 90.9 | Very high | 120 Ų | 120 | 58.9 Ų | 58.9 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 56.4 | -172.2 | -170.9 | 17.9 | 0 | 0 | 0 | 112.2 | Y224 D225 | Y224-D229 WeakPolarHBondContact CE2-OD1 3.34Å; Y224-D229 PolarHBondContact OH-OD1 3.41Å; D225-D229 WeakPolarHBondContact O-CA 3.5Å; D225-D229 PolarHBondContact O-N 2.92Å |
| 230 | R | 93.4 | Very high | 91.1 | Very high | 128 Ų | 128 | 60 Ų | 60 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 122.4 | -171.8 | -175.9 | -176.1 | 59.6 | 175.8 | -7 | 112.6 | D225 L228 | D225-R230 HydrophobicContact CB-CB 4.41Å; D225-R230 WeakPolarHBondContact CB-O 3.48Å; D225-R230 PolarHBondContact N-O 1.85Å; D225-R230 PolarHBondContact O-N 3.42Å; D225-R230 IonicContact OD2-NH2 2.72Å; D225-R230 PolarHBondContact OD2-NH2 2.53Å; L228-R230 HydrophobicContact CB-CB 4.39Å; L228-R230 PolarHBondContact O-N 2.84Å |
| 231 | L | 92.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 45% | 0.45 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 142.6 | 167.9 | -155.1 | 72.5 | 0 | 0 | 0 | 111 | L222 A223 Y224 F243 | L222-L231 HydrophobicContact CD1-CD1 4.29Å; L222-L231 HydrophobicContact CD2-CD1 3.98Å; L222-L231 HydrophobicContact CG-CD1 3.94Å; A223-L231 WeakPolarHBondContact O-CD1 3.44Å; Y224-L231 HydrophobicContact CD2-CD1 4.34Å; L231-F243 HydrophobicContact CD1-CZ 4.29Å |
| 232 | A | 89.3 | Confident | 91.3 | Very high | 20 Ų | 20 | 62 Ų | 62 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 147.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W121 A223 T234 | W121-A232 HydrophobicContact CB-CB 4.37Å; A223-A232 HydrophobicContact CB-CB 3.91Å; A223-A232 PolarHBondContact O-N 2.73Å; A232-T234 PolarHBondContact O-N 2.97Å |
| 233 | D | 83.1 | Confident | 91.3 | Very high | 173 Ų | 173 | 65.8 Ų | 65.8 | 93% | 0.925 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 121 | 173.1 | -66.4 | -42.2 | 0 | 0 | 0 | 110.4 | ||
| 234 | T | 82.5 | Confident | 91.2 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -130 | 160.2 | 178 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | L220 V221 A232 | L220-T234 HydrophobicContact CD2-CG2 3.84Å; L220-T234 HydrophobicContact CG-CG2 3.92Å; V221-T234 WeakPolarHBondContact O-CB 3.38Å; V221-T234 PolarHBondContact O-OG1 2.92Å; A232-T234 PolarHBondContact O-N 2.97Å | ||
| 235 | H | 77 | Confident | 91.3 | Very high | 190 Ų | 190 | 72.3 Ų | 72.3 | 88% | 0.88 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -92.3 | -7.9 | -177 | -72 | -68.3 | 0 | 0 | 0 | 114.4 | ||
| 236 | E | 82.6 | Confident | 91.3 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | trans | -90.7 | 113.5 | -179.7 | -166.1 | 70.3 | -145.1 | 0 | 0 | 110.8 | R219 V221 A239 R262 H263 | R219-E236 IonicContact CZ-OE2 2.63Å; R219-E236 IonicContact NH1-OE2 3.3Å; R219-E236 PolarHBondContact NH1-OE2 3.28Å; R219-E236 IonicContact NH2-OE2 3.95Å; R219-E236 PolarHBondContact NH2-OE2 2.74Å; V221-E236 HydrophobicContact CG1-CB 4.36Å; V221-E236 HydrophobicContact CG1-CG 4.45Å; E236-A239 HydrophobicContact CG-CB 4.25Å; E236-R262 IonicContact OE1-CZ 3.81Å; E236-R262 IonicContact OE1-NE 2.66Å; E236-R262 PolarHBondContact OE1-NE 2.9Å; E236-R262 IonicContact OE1-NH2 2.76Å; E236-R262 PolarHBondContact OE1-NH2 2.63Å; E236-R262 IonicContact OE2-NE 2.62Å; E236-H263 IonicContact OE1-CD2 3.88Å; E236-H263 IonicContact OE1-CE1 3.82Å; E236-H263 IonicContact OE1-NE2 2.65Å; E236-H263 PolarHBondContact OE1-NE2 2.88Å; E236-H263 IonicContact OE2-NE2 3.72Å; E236-H263 PolarHBondContact OE2-NE2 2.84Å | ||
| 237 | T | 83.9 | Confident | 91.3 | Very high | 105 Ų | 105 | 75.9 Ų | 75.9 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 140 | 175 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 238 | G | 91 | Very high | 91.4 | Very high | 26 Ų | 26 | 78.3 Ų | 78.3 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 24 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L256 E257 | G238-L256 CarbonylContact O-C 3.51Å; G238-L256 WeakPolarHBondContact O-CA 3.41Å; G238-E257 PolarHBondContact O-N 3.3Å |
| 239 | A | 94.9 | Very high | 91.4 | Very high | 19 Ų | 19 | 82.3 Ų | 82.3 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V221 E236 L254 V255 L256 | V221-A239 HydrophobicContact CG1-CB 3.84Å; E236-A239 HydrophobicContact CG-CB 4.25Å; A239-L254 HydrophobicContact CB-CD1 4.18Å; A239-V255 WeakPolarHBondContact CA-O 3.27Å; A239-L256 HydrophobicContact CB-CD2 3.92Å |
| 240 | F | 95.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 77.1 Ų | 77.1 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 167.5 | -176.1 | 62.6 | -88.5 | 0 | 0 | 0 | 113.7 | V255 E257 | F240-V255 HydrophobicContact CD1-CB 4.29Å; F240-V255 HydrophobicContact CD2-CB 4.05Å; F240-V255 HydrophobicContact CD2-CG2 4.42Å; F240-V255 HydrophobicContact CE1-CB 3.96Å; F240-V255 HydrophobicContact CE1-CG1 3.74Å; F240-V255 HydrophobicContact CE2-CB 3.7Å; F240-V255 HydrophobicContact CE2-CG1 3.93Å; F240-V255 HydrophobicContact CE2-CG2 3.99Å; F240-V255 HydrophobicContact CG-CB 4.34Å; F240-V255 HydrophobicContact CZ-CB 3.66Å; F240-V255 HydrophobicContact CZ-CG1 3.4Å; F240-V255 VanDerWaalsContact CZ-CG1 3.4Å; F240-V255 HydrophobicContact CZ-CG2 4.33Å; F240-V255 PolarHBondContact N-O 3.24Å; F240-V255 PolarHBondContact O-N 2.91Å; F240-E257 HydrophobicContact CE1-CB 4.39Å |
| 241 | L | 96.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | trans | -114.2 | 155.3 | 171.9 | -57.7 | -177.6 | 0 | 0 | 0 | 110 | V208 L222 F243 L246 S253 | V208-L241 HydrophobicContact CB-CD1 4.28Å; V208-L241 HydrophobicContact CG1-CD1 4.03Å; L222-L241 HydrophobicContact CD1-CD2 4.43Å; L222-L241 HydrophobicContact CD1-CG 3.93Å; L222-L241 HydrophobicContact CD2-CD1 3.58Å; L222-L241 HydrophobicContact CD2-CD2 4.27Å; L222-L241 HydrophobicContact CD2-CG 3.72Å; L241-F243 HydrophobicContact CB-CE1 4.28Å; L241-F243 PolarHBondContact O-N 2.79Å; L241-L246 HydrophobicContact CD1-CD2 3.96Å; L241-S253 WeakPolarHBondContact CD2-O 3.44Å | ||
| 242 | D | 96.3 | Very high | 92 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | trans | -84 | 96.3 | 164 | 178.3 | -13.5 | 0 | 0 | 0 | 108.8 | E244 A245 L246 | D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 PolarHBondContact OD1-N 2.96Å; D242-E244 VanDerWaalsContact OD1-N 3.14Å; D242-A245 HydrophobicContact CB-CB 4.08Å; D242-A245 PolarHBondContact O-N 3.05Å; D242-A245 PolarHBondContact OD1-N 2.85Å; D242-A245 VanDerWaalsContact OD2-CB 3.27Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; D242-L246 WeakPolarHBondContact O-CB 3.29Å; D242-L246 PolarHBondContact O-N 2.88Å | ||
| 243 | F | 95.2 | Very high | 92.4 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -25.8 | -176.7 | -62.4 | -70.5 | 0 | 0 | 0 | 113.7 | Y224 L231 L241 L246 H247 | Y224-F243 HydrophobicContact CD1-CE1 4.4Å; Y224-F243 HydrophobicContact CD2-CD1 4.25Å; Y224-F243 AromaticContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CZ 4.43Å; Y224-F243 HydrophobicContact CE1-CD1 4.36Å; Y224-F243 HydrophobicContact CE1-CE1 4.5Å; Y224-F243 AromaticContact CE2-CD1 3.97Å; Y224-F243 HydrophobicContact CE2-CD1 3.97Å; Y224-F243 AromaticContact CE2-CE1 3.68Å; Y224-F243 HydrophobicContact CE2-CE1 3.68Å; Y224-F243 AromaticContact CG-CE1 3.94Å; Y224-F243 HydrophobicContact CG-CE1 3.94Å; L231-F243 HydrophobicContact CD1-CZ 4.29Å; L241-F243 HydrophobicContact CB-CE1 4.28Å; L241-F243 PolarHBondContact O-N 2.79Å; F243-L246 HydrophobicContact CD1-CD2 4.16Å; F243-H247 PolarHBondContact O-N 3.17Å; F243-H247 PolarHBondContact O-ND1 2.79Å |
| 244 | E | 95.1 | Very high | 93.1 | Very high | 139 Ų | 139 | 60 Ų | 60 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.6 | -52.8 | 176.7 | -173.7 | 176.6 | 163 | 0 | 0 | 109.2 | D242 L246 H247 E248 | D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 PolarHBondContact OD1-N 2.96Å; D242-E244 VanDerWaalsContact OD1-N 3.14Å; E244-L246 PolarHBondContact O-N 3.28Å; E244-H247 PolarHBondContact O-N 3.41Å; E244-E248 WeakPolarHBondContact O-CB 3.06Å; E244-E248 WeakPolarHBondContact O-CG 3.11Å; E244-E248 PolarHBondContact O-N 3.04Å |
| 245 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -29.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D242 R249 G250 N251 | D242-A245 HydrophobicContact CB-CB 4.08Å; D242-A245 PolarHBondContact O-N 3.05Å; D242-A245 PolarHBondContact OD1-N 2.85Å; D242-A245 VanDerWaalsContact OD2-CB 3.27Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; A245-R249 VanDerWaalsContact CB-NH2 3.35Å; A245-R249 CarbonylContact O-C 3.56Å; A245-R249 WeakPolarHBondContact O-CA 3.37Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3.1Å; A245-G250 PolarHBondContact O-N 3.15Å; A245-N251 HydrophobicContact CB-CB 3.79Å; A245-N251 WeakPolarHBondContact O-CB 3.43Å; A245-N251 PolarHBondContact O-N 3.07Å; A245-N251 VanDerWaalsContact O-N 3.12Å |
| 246 | L | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -50.8 | 176.1 | 178.9 | 58.7 | 0 | 0 | 0 | 112 | F193 F206 V208 Y224 L241 D242 F243 E244 G250 N251 A252 | F193-L246 HydrophobicContact CE1-CD1 3.75Å; F193-L246 HydrophobicContact CZ-CD1 4.47Å; F206-L246 HydrophobicContact CE2-CD1 3.84Å; F206-L246 HydrophobicContact CE2-CD2 4.05Å; F206-L246 HydrophobicContact CE2-CG 3.85Å; F206-L246 HydrophobicContact CZ-CD1 4.25Å; F206-L246 HydrophobicContact CZ-CD2 4.4Å; F206-L246 HydrophobicContact CZ-CG 3.93Å; V208-L246 HydrophobicContact CG2-CD1 3.88Å; V208-L246 HydrophobicContact CG2-CD2 4.23Å; Y224-L246 HydrophobicContact CD1-CD2 3.6Å; Y224-L246 HydrophobicContact CE1-CD2 3.57Å; L241-L246 HydrophobicContact CD1-CD2 3.96Å; D242-L246 WeakPolarHBondContact O-CB 3.29Å; D242-L246 PolarHBondContact O-N 2.88Å; F243-L246 HydrophobicContact CD1-CD2 4.16Å; E244-L246 PolarHBondContact O-N 3.28Å; L246-G250 WeakPolarHBondContact O-CA 3.4Å; L246-G250 PolarHBondContact O-N 3.12Å; L246-N251 VanDerWaalsContact CA-O 3.26Å; L246-N251 WeakPolarHBondContact CA-O 3.35Å; L246-N251 WeakPolarHBondContact CB-O 3.3Å; L246-A252 HydrophobicContact CD1-CB 3.92Å |
| 247 | H | 94.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.1 | -37.3 | -178.7 | -64.3 | 99.5 | 0 | 0 | 0 | 112.9 | F206 Y224 F243 E244 | F206-H247 AromaticContact CZ-CD2 3.77Å; F206-H247 AromaticContact CZ-NE2 3.97Å; Y224-H247 AromaticContact CZ-CE1 3.88Å; Y224-H247 AromaticContact CZ-NE2 3.92Å; Y224-H247 PolarHBondContact OH-CE1 3.35Å; Y224-H247 PolarHBondContact OH-NE2 3.32Å; F243-H247 PolarHBondContact O-N 3.17Å; F243-H247 PolarHBondContact O-ND1 2.79Å; E244-H247 PolarHBondContact O-N 3.41Å |
| 248 | E | 93.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 54.7 Ų | 54.7 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -76.4 | -33.4 | -177.9 | -68.4 | -167.6 | 151.1 | 0 | 0 | 113.8 | E244 | E244-E248 WeakPolarHBondContact O-CB 3.06Å; E244-E248 WeakPolarHBondContact O-CG 3.11Å; E244-E248 PolarHBondContact O-N 3.04Å |
| 249 | R | 94.8 | Very high | 96.1 | Very high | 170 Ų | 170 | 53.5 Ų | 53.5 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -134 | 3.1 | -166.2 | -64.9 | 177.1 | -72.8 | -175.6 | -2.9 | 114.2 | A245 N251 | A245-R249 VanDerWaalsContact CB-NH2 3.35Å; A245-R249 CarbonylContact O-C 3.56Å; A245-R249 WeakPolarHBondContact O-CA 3.37Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3.1Å; R249-N251 PolarHBondContact O-N 3.02Å |
| 250 | G | 96.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | trans | 66.9 | 23 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S192 F193 A245 L246 A252 | S192-G250 CarbonylContact C-O 3.58Å; S192-G250 WeakPolarHBondContact CA-O 3.5Å; F193-G250 WeakPolarHBondContact CD1-O 3.46Å; F193-G250 WeakPolarHBondContact CE1-O 3.24Å; F193-G250 PolarHBondContact N-O 3.03Å; A245-G250 PolarHBondContact O-N 3.15Å; L246-G250 WeakPolarHBondContact O-CA 3.4Å; L246-G250 PolarHBondContact O-N 3.12Å; G250-A252 PolarHBondContact O-N 3.35Å | ||
| 251 | N | 98 | Very high | 96.1 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 98.8 | -179.1 | -173.9 | 4.6 | 0 | 0 | 0 | 111.3 | C191 A245 L246 R249 S253 | C191-N251 PolarHBondContact O-OD1 2.8Å; A245-N251 HydrophobicContact CB-CB 3.79Å; A245-N251 WeakPolarHBondContact O-CB 3.43Å; A245-N251 PolarHBondContact O-N 3.07Å; A245-N251 VanDerWaalsContact O-N 3.12Å; L246-N251 VanDerWaalsContact CA-O 3.26Å; L246-N251 WeakPolarHBondContact CA-O 3.35Å; L246-N251 WeakPolarHBondContact CB-O 3.3Å; R249-N251 PolarHBondContact O-N 3.02Å; N251-S253 VanDerWaalsContact OD1-CB 3.22Å; N251-S253 WeakPolarHBondContact OD1-CB 3.36Å; N251-S253 PolarHBondContact OD1-N 2.9Å; N251-S253 VanDerWaalsContact OD1-N 3.15Å; N251-S253 PolarHBondContact OD1-OG 3.08Å |
| 252 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -95.5 | 21.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C191 F193 V208 W210 L246 G250 L254 I271 | C191-A252 HydrophobicContact CB-CB 4.49Å; C191-A252 CarbonylContact O-C 3.53Å; C191-A252 VanDerWaalsContact O-C 3.25Å; C191-A252 WeakPolarHBondContact O-CA 3.44Å; C191-A252 PolarHBondContact O-N 3.46Å; F193-A252 HydrophobicContact CD1-CB 4.15Å; F193-A252 HydrophobicContact CE1-CB 4.34Å; V208-A252 HydrophobicContact CG1-CB 3.89Å; V208-A252 HydrophobicContact CG2-CB 4.1Å; W210-A252 PolarHBondContact NE1-O 3.4Å; L246-A252 HydrophobicContact CD1-CB 3.92Å; G250-A252 PolarHBondContact O-N 3.35Å; A252-L254 PolarHBondContact O-N 3.02Å; A252-I271 HydrophobicContact CB-CD1 3.66Å | ||
| 253 | S | 98.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 131 | -176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | L189 D190 C191 L241 N251 | L189-S253 CarbonylContact O-C 3.58Å; L189-S253 VanDerWaalsContact O-CA 3.22Å; L189-S253 WeakPolarHBondContact O-CA 3.42Å; L189-S253 WeakPolarHBondContact O-CB 3.24Å; D190-S253 WeakPolarHBondContact CA-OG 3.26Å; C191-S253 PolarHBondContact N-OG 3.36Å; C191-S253 PolarHBondContact O-N 2.96Å; C191-S253 PolarHBondContact O-OG 2.8Å; L241-S253 WeakPolarHBondContact CD2-O 3.44Å; N251-S253 VanDerWaalsContact OD1-CB 3.22Å; N251-S253 WeakPolarHBondContact OD1-CB 3.36Å; N251-S253 PolarHBondContact OD1-N 2.9Å; N251-S253 VanDerWaalsContact OD1-N 3.15Å; N251-S253 PolarHBondContact OD1-OG 3.08Å |
| 254 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.3 | 176 | 176.1 | 67.1 | 0 | 0 | 0 | 110.1 | T188 L189 W210 V221 A239 A252 L256 Y267 | T188-L254 CarbonylContact C-O 3.57Å; T188-L254 WeakPolarHBondContact CA-O 3.47Å; L189-L254 HydrophobicContact CB-CB 4.43Å; L189-L254 HydrophobicContact CD1-CD2 4.48Å; L189-L254 PolarHBondContact N-O 3.12Å; L189-L254 PolarHBondContact O-N 3.44Å; L189-L254 VanDerWaalsContact O-N 3.1Å; W210-L254 HydrophobicContact CB-CD2 4.25Å; W210-L254 HydrophobicContact CD2-CB 3.65Å; W210-L254 HydrophobicContact CD2-CD2 3.95Å; W210-L254 HydrophobicContact CD2-CG 4.36Å; W210-L254 HydrophobicContact CE3-CB 4.17Å; W210-L254 HydrophobicContact CE3-CD2 3.99Å; W210-L254 HydrophobicContact CG-CB 4.01Å; W210-L254 HydrophobicContact CG-CD1 4.45Å; W210-L254 HydrophobicContact CG-CD2 4.09Å; W210-L254 HydrophobicContact CG-CG 4.43Å; W210-L254 HydrophobicContact CH2-CB 4.12Å; W210-L254 HydrophobicContact CZ2-CB 3.62Å; W210-L254 HydrophobicContact CZ3-CB 4.39Å; V221-L254 HydrophobicContact CG1-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CD2 4.09Å; A239-L254 HydrophobicContact CB-CD1 4.18Å; A252-L254 PolarHBondContact O-N 3.02Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.48Å; L254-L256 HydrophobicContact CG-CD2 4.26Å; L254-L256 HydrophobicContact CG-CG 4.5Å; L254-Y267 HydrophobicContact CD2-CD1 3.77Å; L254-Y267 HydrophobicContact CD2-CE1 3.85Å |
| 255 | V | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 45 Ų | 45 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126 | 168.2 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | V187 T188 A239 F240 | V187-V255 CarbonylContact O-C 3.6Å; V187-V255 WeakPolarHBondContact O-CA 3.25Å; T188-V255 HydrophobicContact CG2-CG2 4.26Å; A239-V255 WeakPolarHBondContact CA-O 3.27Å; F240-V255 HydrophobicContact CD1-CB 4.29Å; F240-V255 HydrophobicContact CD2-CB 4.05Å; F240-V255 HydrophobicContact CD2-CG2 4.42Å; F240-V255 HydrophobicContact CE1-CB 3.96Å; F240-V255 HydrophobicContact CE1-CG1 3.74Å; F240-V255 HydrophobicContact CE2-CB 3.7Å; F240-V255 HydrophobicContact CE2-CG1 3.93Å; F240-V255 HydrophobicContact CE2-CG2 3.99Å; F240-V255 HydrophobicContact CG-CB 4.34Å; F240-V255 HydrophobicContact CZ-CB 3.66Å; F240-V255 HydrophobicContact CZ-CG1 3.4Å; F240-V255 VanDerWaalsContact CZ-CG1 3.4Å; F240-V255 HydrophobicContact CZ-CG2 4.33Å; F240-V255 PolarHBondContact N-O 3.24Å; F240-V255 PolarHBondContact O-N 2.91Å |
| 256 | L | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121 | 165.7 | -57.8 | 176 | 0 | 0 | 0 | 107.7 | P186 V187 G238 A239 L254 H263 Y267 L284 | P186-L256 CarbonylContact C-O 3.49Å; P186-L256 VanDerWaalsContact CA-O 3.27Å; P186-L256 WeakPolarHBondContact CA-O 3.26Å; V187-L256 HydrophobicContact CB-CB 4.33Å; V187-L256 PolarHBondContact N-O 2.83Å; V187-L256 PolarHBondContact O-N 2.97Å; G238-L256 CarbonylContact O-C 3.51Å; G238-L256 WeakPolarHBondContact O-CA 3.41Å; A239-L256 HydrophobicContact CB-CD2 3.92Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.48Å; L254-L256 HydrophobicContact CG-CD2 4.26Å; L254-L256 HydrophobicContact CG-CG 4.5Å; L256-H263 HydrophobicContact CD1-CB 4.42Å; L256-Y267 HydrophobicContact CD1-CE1 4.32Å; L256-L284 HydrophobicContact CD1-CD2 3.85Å |
| 257 | E | 95.8 | Very high | 96 | Very high | 121 Ų | 121 | 46.8 Ų | 46.8 | 57% | 0.565 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -67.7 | -38.8 | -176.2 | -172.2 | 177 | -165.6 | 0 | 0 | 112.7 | P186 G238 F240 | P186-E257 WeakPolarHBondContact CA-O 3.39Å; G238-E257 PolarHBondContact O-N 3.3Å; F240-E257 HydrophobicContact CE1-CB 4.39Å |
| 258 | E | 95.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 46% | 0.458 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -136 | 109.3 | -179.8 | -66 | -177.4 | 152.2 | 0 | 0 | 110.8 | K260 H263 | E258-K260 PolarHBondContact O-N 2.59Å; E258-K260 WeakPolarHBondContact OE2-CE 3.2Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 3.41Å; E258-H263 PolarHBondContact O-CE1 2.76Å; E258-H263 PolarHBondContact O-ND1 3.48Å |
| 259 | A | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | trans | -59.2 | 125.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | R182 G184 E185 V187 I286 | R182-A259 WeakPolarHBondContact O-CB 3.37Å; G184-A259 PolarHBondContact N-O 2.77Å; E185-A259 WeakPolarHBondContact O-CB 3.33Å; E185-A259 PolarHBondContact O-N 3.01Å; V187-A259 HydrophobicContact CG2-CB 3.93Å; A259-I286 HydrophobicContact CB-CD1 3.73Å; A259-I286 HydrophobicContact CB-CG1 4.45Å | ||
| 260 | K | 95.1 | Very high | 96.5 | Very high | 57 Ų | 57 | 29 Ų | 29 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | trans | -125.6 | 149.1 | 177.4 | -72 | 153.3 | -173.9 | 158.1 | 0 | 108.9 | E258 R262 H263 I286 | E258-K260 PolarHBondContact O-N 2.59Å; E258-K260 WeakPolarHBondContact OE2-CE 3.2Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 3.41Å; K260-R262 HydrophobicContact CB-CG 4.05Å; K260-R262 PolarHBondContact O-N 2.88Å; K260-H263 PolarHBondContact N-ND1 3.04Å; K260-H263 VanDerWaalsContact O-CB 3.26Å; K260-H263 WeakPolarHBondContact O-CB 3.42Å; K260-H263 PolarHBondContact O-N 2.76Å; K260-I286 WeakPolarHBondContact O-CG1 3.26Å | ||
| 261 | V | 95 | Very high | 96.6 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 12% | 0.121 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -52.2 | -36.2 | -175.1 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | L183 H263 S264 A318 D351 T353 | L183-V261 HydrophobicContact CD1-CG2 3.79Å; V261-H263 PolarHBondContact O-N 3.3Å; V261-H263 VanDerWaalsContact O-N 3.17Å; V261-S264 WeakPolarHBondContact O-CB 3.44Å; V261-S264 PolarHBondContact O-N 2.67Å; V261-S264 VanDerWaalsContact O-N 3.07Å; V261-S264 PolarHBondContact O-OG 3.38Å; V261-A318 HydrophobicContact CG1-CB 3.99Å; V261-A318 HydrophobicContact CG2-CB 3.88Å; V261-D351 WeakPolarHBondContact CG2-O 3.32Å; V261-T353 HydrophobicContact CG2-CG2 3.88Å |
| 262 | R | 92.1 | Very high | 96.6 | Very high | 123 Ų | 123 | 27.5 Ų | 27.5 | 46% | 0.464 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -61.6 | -13.9 | 174.9 | 70.1 | 160.4 | -170.2 | -102 | 4.7 | 116.2 | Y212 E236 K260 S264 | Y212-R262 PolarHBondContact OH-O 2.79Å; Y212-R262 VanDerWaalsContact OH-O 3.04Å; E236-R262 IonicContact OE1-CZ 3.81Å; E236-R262 IonicContact OE1-NE 2.66Å; E236-R262 PolarHBondContact OE1-NE 2.9Å; E236-R262 IonicContact OE1-NH2 2.76Å; E236-R262 PolarHBondContact OE1-NH2 2.63Å; E236-R262 IonicContact OE2-NE 2.62Å; K260-R262 HydrophobicContact CB-CG 4.05Å; K260-R262 PolarHBondContact O-N 2.88Å; R262-S264 VanDerWaalsContact C-N 3.3Å |
| 263 | H | 94.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -85.1 | -3.3 | 175.3 | -59.1 | 153.6 | 0 | 0 | 0 | 111.9 | E236 L256 E258 K260 V261 G265 Y267 L284 I286 | E236-H263 IonicContact OE1-CD2 3.88Å; E236-H263 IonicContact OE1-CE1 3.82Å; E236-H263 IonicContact OE1-NE2 2.65Å; E236-H263 PolarHBondContact OE1-NE2 2.88Å; E236-H263 IonicContact OE2-NE2 3.72Å; E236-H263 PolarHBondContact OE2-NE2 2.84Å; L256-H263 HydrophobicContact CD1-CB 4.42Å; E258-H263 PolarHBondContact O-CE1 2.76Å; E258-H263 PolarHBondContact O-ND1 3.48Å; K260-H263 PolarHBondContact N-ND1 3.04Å; K260-H263 VanDerWaalsContact O-CB 3.26Å; K260-H263 WeakPolarHBondContact O-CB 3.42Å; K260-H263 PolarHBondContact O-N 2.76Å; V261-H263 PolarHBondContact O-N 3.3Å; V261-H263 VanDerWaalsContact O-N 3.17Å; H263-G265 PolarHBondContact O-N 2.84Å; H263-Y267 WeakPolarHBondContact CB-OH 3.28Å; H263-Y267 VanDerWaalsContact O-CE2 3.31Å; H263-Y267 WeakPolarHBondContact O-CE2 3.29Å; H263-L284 HydrophobicContact CB-CD2 4.29Å; H263-I286 HydrophobicContact CB-CG1 4.48Å |
| 264 | S | 95.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 21% | 0.21 | 14% | 0.135 | C | C | . | . | trans | -72.8 | 118.1 | 175.6 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | Y212 V261 R262 L284 I286 | Y212-S264 PolarHBondContact OH-O 3.1Å; V261-S264 WeakPolarHBondContact O-CB 3.44Å; V261-S264 PolarHBondContact O-N 2.67Å; V261-S264 VanDerWaalsContact O-N 3.07Å; V261-S264 PolarHBondContact O-OG 3.38Å; R262-S264 VanDerWaalsContact C-N 3.3Å; S264-L284 CarbonylContact C-O 3.54Å; S264-L284 VanDerWaalsContact CA-O 3.23Å; S264-L284 WeakPolarHBondContact CA-O 3.44Å; S264-I286 WeakPolarHBondContact OG-CB 3.39Å; S264-I286 PolarHBondContact OG-N 3.06Å; S264-I286 VanDerWaalsContact OG-N 3.12Å | ||
| 265 | G | 95.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.9 | -168.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H263 L284 | H263-G265 PolarHBondContact O-N 2.84Å; G265-L284 PolarHBondContact N-O 3.1Å; G265-L284 PolarHBondContact O-N 2.93Å |
| 266 | T | 97.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 27 Ų | 27 | 22% | 0.221 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.2 | -177.6 | -39.8 | 0 | 0 | 0 | 0 | 110.5 | Q213 A281 M282 E283 | Q213-T266 PolarHBondContact N-O 3.21Å; Q213-T266 PolarHBondContact O-N 3.16Å; T266-A281 HydrophobicContact CG2-CB 4.19Å; T266-M282 CarbonylContact C-O 3.56Å; T266-M282 WeakPolarHBondContact CA-O 3.47Å; T266-E283 WeakPolarHBondContact CB-OE1 3.21Å; T266-E283 WeakPolarHBondContact CG2-OE1 3.45Å; T266-E283 PolarHBondContact OG1-OE1 2.84Å |
| 267 | Y | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141.5 | 167.6 | -74.3 | -105 | 0 | 0 | 0 | 109.7 | L189 W210 R211 Y212 V221 L254 L256 H263 A281 M282 L284 | L189-Y267 HydrophobicContact CD1-CD1 3.82Å; L189-Y267 HydrophobicContact CD1-CD2 3.78Å; L189-Y267 HydrophobicContact CD1-CE1 4.4Å; L189-Y267 HydrophobicContact CD1-CE2 4.37Å; L189-Y267 HydrophobicContact CD1-CG 3.48Å; L189-Y267 VanDerWaalsContact CD1-CG 3.48Å; W210-Y267 HydrophobicContact CE3-CD1 4.37Å; R211-Y267 CarbonylContact O-C 3.6Å; R211-Y267 WeakPolarHBondContact O-CA 3.18Å; Y212-Y267 HydrophobicContact CD2-CD2 4.06Å; Y212-Y267 HydrophobicContact CD2-CE1 4.17Å; Y212-Y267 AromaticContact CD2-CE2 3.55Å; Y212-Y267 HydrophobicContact CD2-CE2 3.55Å; Y212-Y267 AromaticContact CD2-CZ 3.61Å; Y212-Y267 AromaticContact CE2-CE2 4Å; Y212-Y267 HydrophobicContact CE2-CE2 4Å; V221-Y267 HydrophobicContact CG2-CD1 4.5Å; V221-Y267 HydrophobicContact CG2-CE1 4.1Å; L254-Y267 HydrophobicContact CD2-CD1 3.77Å; L254-Y267 HydrophobicContact CD2-CE1 3.85Å; L256-Y267 HydrophobicContact CD1-CE1 4.32Å; H263-Y267 WeakPolarHBondContact CB-OH 3.28Å; H263-Y267 VanDerWaalsContact O-CE2 3.31Å; H263-Y267 WeakPolarHBondContact O-CE2 3.29Å; Y267-A281 CarbonylContact O-C 3.53Å; Y267-A281 WeakPolarHBondContact O-CA 3.47Å; Y267-M282 PolarHBondContact N-O 3.4Å; Y267-M282 PolarHBondContact O-N 2.62Å; Y267-L284 HydrophobicContact CD2-CB 4.02Å; Y267-L284 HydrophobicContact CE2-CB 3.93Å; Y267-L284 HydrophobicContact CE2-CD2 3.81Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å |
| 268 | I | 97.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 24.4 Ų | 24.4 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.3 | 179.2 | -53.8 | 173.7 | 0 | 0 | 0 | 107.6 | W210 R211 Q279 V280 A281 | W210-I268 WeakPolarHBondContact CA-O 3.48Å; R211-I268 HydrophobicContact CB-CB 4.42Å; R211-I268 PolarHBondContact N-O 3.44Å; R211-I268 PolarHBondContact O-N 3.04Å; I268-Q279 HydrophobicContact CG2-CB 3.95Å; I268-Q279 HydrophobicContact CG2-CG 4.47Å; I268-V280 WeakPolarHBondContact CA-O 3.18Å; I268-A281 HydrophobicContact CG1-CB 4.18Å |
| 269 | C | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.1 | 168.8 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | C191 W210 Q279 V280 | C191-C269 HydrophobicContact CB-CB 3.73Å; C191-C269 WeakPolarHBondContact CB-SG 3.38Å; C191-C269 WeakPolarHBondContact SG-CB 3.44Å; C191-C269 CovalentContact SG-SG 2.04Å; C191-C269 PolarHBondContact SG-SG 3.37Å; W210-C269 HydrophobicContact CD2-CB 4.02Å; W210-C269 HydrophobicContact CE3-CB 4Å; W210-C269 HydrophobicContact CH2-CB 3.66Å; W210-C269 HydrophobicContact CZ2-CB 3.63Å; W210-C269 HydrophobicContact CZ3-CB 3.81Å; C269-Q279 CarbonylContact O-C 3.59Å; C269-Q279 WeakPolarHBondContact O-CA 3.34Å; C269-V280 HydrophobicContact CB-CG1 3.98Å; C269-V280 PolarHBondContact N-O 3.45Å; C269-V280 PolarHBondContact O-N 2.95Å |
| 270 | T | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.8 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | E209 Y272 L277 A278 Q279 | E209-T270 PolarHBondContact N-O 2.85Å; E209-T270 PolarHBondContact O-N 2.83Å; T270-Y272 HydrophobicContact CG2-CD2 4.18Å; T270-Y272 HydrophobicContact CG2-CE1 4.09Å; T270-Y272 HydrophobicContact CG2-CE2 3.58Å; T270-L277 HydrophobicContact CG2-CB 4.39Å; T270-L277 HydrophobicContact CG2-CD1 4.42Å; T270-A278 WeakPolarHBondContact CA-O 3.33Å; T270-A278 WeakPolarHBondContact CG2-O 3.34Å; T270-Q279 HydrophobicContact CG2-CB 4.23Å; T270-Q279 WeakPolarHBondContact OG1-CB 3.33Å |
| 271 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127 | 174.8 | -53 | -65.6 | 0 | 0 | 0 | 108.4 | L170 I172 F193 V208 A252 L277 A278 | L170-I271 HydrophobicContact CD1-CG2 4.28Å; I172-I271 HydrophobicContact CD1-CB 3.68Å; I172-I271 HydrophobicContact CD1-CG1 3.61Å; I172-I271 HydrophobicContact CG1-CB 4.14Å; I172-I271 HydrophobicContact CG1-CG1 3.91Å; F193-I271 HydrophobicContact CB-CG1 3.99Å; F193-I271 HydrophobicContact CB-CG2 4.43Å; F193-I271 HydrophobicContact CD1-CD1 3.66Å; F193-I271 HydrophobicContact CD1-CG1 3.89Å; F193-I271 HydrophobicContact CD1-CG2 4.1Å; F193-I271 HydrophobicContact CD2-CG2 3.92Å; F193-I271 HydrophobicContact CE1-CD1 4.08Å; F193-I271 HydrophobicContact CE1-CG2 4.34Å; F193-I271 HydrophobicContact CE2-CG2 4.18Å; F193-I271 HydrophobicContact CG-CB 4.48Å; F193-I271 HydrophobicContact CG-CD1 4.3Å; F193-I271 HydrophobicContact CG-CG1 4.02Å; F193-I271 HydrophobicContact CG-CG2 3.89Å; F193-I271 HydrophobicContact CZ-CG2 4.39Å; V208-I271 HydrophobicContact CB-CD1 4.24Å; V208-I271 HydrophobicContact CG1-CD1 4.01Å; V208-I271 HydrophobicContact CG2-CD1 3.83Å; A252-I271 HydrophobicContact CB-CD1 3.66Å; I271-L277 WeakPolarHBondContact O-CA 3.22Å; I271-A278 PolarHBondContact N-O 3.4Å; I271-A278 PolarHBondContact O-N 3.14Å; I271-A278 VanDerWaalsContact O-N 3.15Å |
| 272 | Y | 97.7 | Very high | 96.5 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 7% | 0.071 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.7 | 177.8 | -61.5 | -88.8 | 0 | 0 | 0 | 110.5 | L119 V122 F206 A207 E209 T270 L277 | L119-Y272 HydrophobicContact CD1-CE1 4.34Å; L119-Y272 HydrophobicContact CD1-CE2 4.41Å; L119-Y272 VanDerWaalsContact CD1-OH 3.25Å; L119-Y272 WeakPolarHBondContact CD1-OH 3.46Å; V122-Y272 HydrophobicContact CG1-CD1 3.98Å; V122-Y272 HydrophobicContact CG1-CD2 4.37Å; V122-Y272 HydrophobicContact CG1-CG 3.75Å; V122-Y272 HydrophobicContact CG2-CD1 4.35Å; V122-Y272 HydrophobicContact CG2-CD2 3.82Å; V122-Y272 HydrophobicContact CG2-CE2 4.05Å; V122-Y272 HydrophobicContact CG2-CG 3.99Å; F206-Y272 CarbonylContact C-O 3.55Å; F206-Y272 VanDerWaalsContact CA-O 3.28Å; F206-Y272 WeakPolarHBondContact CA-O 3.49Å; A207-Y272 HydrophobicContact CB-CD2 4.5Å; A207-Y272 PolarHBondContact N-O 2.88Å; A207-Y272 PolarHBondContact O-N 3.35Å; E209-Y272 HydrophobicContact CB-CE2 3.77Å; T270-Y272 HydrophobicContact CG2-CD2 4.18Å; T270-Y272 HydrophobicContact CG2-CE1 4.09Å; T270-Y272 HydrophobicContact CG2-CE2 3.58Å; Y272-L277 HydrophobicContact CD1-CB 3.71Å; Y272-L277 HydrophobicContact CD1-CD2 4.38Å; Y272-L277 HydrophobicContact CE1-CB 3.89Å; Y272-L277 HydrophobicContact CE1-CD2 3.9Å; Y272-L277 HydrophobicContact CE1-CG 4.49Å |
| 273 | L | 95.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 171.6 | 162 | -63.6 | 178.2 | 0 | 0 | 0 | 107.7 | L170 V195 F206 Y275 L276 | L170-L273 HydrophobicContact CB-CD1 3.99Å; L170-L273 HydrophobicContact CD1-CD1 4.13Å; L170-L273 HydrophobicContact CD2-CD1 4.21Å; L170-L273 HydrophobicContact CD2-CG 4.37Å; L170-L273 HydrophobicContact CG-CD1 4.33Å; V195-L273 HydrophobicContact CB-CD1 4.49Å; V195-L273 HydrophobicContact CG1-CD1 3.67Å; V195-L273 HydrophobicContact CG1-CD2 4.42Å; V195-L273 HydrophobicContact CG2-CD1 4.02Å; V195-L273 HydrophobicContact CG2-CD2 4Å; F206-L273 HydrophobicContact CB-CD2 3.91Å; L273-Y275 PolarHBondContact O-N 3.03Å; L273-L276 HydrophobicContact CB-CB 4.28Å; L273-L276 PolarHBondContact N-O 2.87Å; L273-L276 PolarHBondContact O-N 2.81Å |
| 274 | P | 94.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 120.1 | 172 | -21.1 | 29.6 | 0 | 0 | 0 | 110.6 | L125 T126 L201 L276 | L125-P274 HydrophobicContact CB-CG 4.26Å; L125-P274 WeakPolarHBondContact O-CB 3.22Å; T126-P274 HydrophobicContact CG2-CB 4.38Å; L201-P274 HydrophobicContact CD2-CB 4.1Å; L201-P274 HydrophobicContact CD2-CG 4.37Å; P274-L276 PolarHBondContact O-N 2.87Å; P274-L276 VanDerWaalsContact O-N 3.11Å |
| 275 | Y | 94.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -2.5 | -179.8 | -49.7 | -89.6 | 0 | 0 | 0 | 117.2 | P114 Q115 P116 T126 L130 P132 L135 L273 | P114-Y275 CarbonylContact C-O 3.57Å; P114-Y275 VanDerWaalsContact CA-O 3.24Å; P114-Y275 WeakPolarHBondContact CA-O 3.29Å; Q115-Y275 PolarHBondContact N-O 3.25Å; Q115-Y275 CarbonylContact O-C 3.53Å; Q115-Y275 WeakPolarHBondContact O-CA 3.29Å; P116-Y275 HydrophobicContact CB-CD1 4.29Å; P116-Y275 HydrophobicContact CB-CE1 4.17Å; P116-Y275 HydrophobicContact CG-CE1 4.39Å; T126-Y275 HydrophobicContact CG2-CD1 4.31Å; T126-Y275 HydrophobicContact CG2-CD2 4.08Å; T126-Y275 HydrophobicContact CG2-CE1 4.08Å; T126-Y275 HydrophobicContact CG2-CE2 3.85Å; T126-Y275 HydrophobicContact CG2-CG 4.3Å; L130-Y275 PolarHBondContact O-OH 3.28Å; P132-Y275 VanDerWaalsContact CD-CE2 3.43Å; P132-Y275 HydrophobicContact CG-CE2 4.2Å; L135-Y275 HydrophobicContact CD1-CD1 4.09Å; L135-Y275 HydrophobicContact CD1-CD2 3.68Å; L135-Y275 HydrophobicContact CD1-CE2 4.39Å; L135-Y275 HydrophobicContact CD1-CG 3.52Å; L273-Y275 PolarHBondContact O-N 3.03Å |
| 276 | L | 96.2 | Very high | 97 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.9 | -179.4 | -46.4 | -179.2 | 0 | 0 | 0 | 111.1 | F112 P114 L135 W139 I156 I169 L201 L273 P274 | F112-L276 HydrophobicContact CD1-CD2 4.42Å; F112-L276 HydrophobicContact CE1-CD2 3.74Å; P114-L276 HydrophobicContact CB-CD2 3.99Å; P114-L276 HydrophobicContact CG-CD2 4Å; L135-L276 HydrophobicContact CD2-CD2 4.45Å; W139-L276 HydrophobicContact CD2-CD2 4.42Å; W139-L276 HydrophobicContact CE3-CD1 4.48Å; W139-L276 HydrophobicContact CE3-CD2 3.97Å; W139-L276 HydrophobicContact CH2-CD1 3.9Å; W139-L276 HydrophobicContact CH2-CD2 4.03Å; W139-L276 HydrophobicContact CZ3-CD1 3.59Å; W139-L276 HydrophobicContact CZ3-CD2 3.75Å; W139-L276 HydrophobicContact CZ3-CG 4.35Å; I156-L276 HydrophobicContact CG2-CD1 4.13Å; I156-L276 HydrophobicContact CG2-CD2 4.23Å; I169-L276 HydrophobicContact CG2-CD1 4.04Å; L201-L276 HydrophobicContact CD1-CD1 3.5Å; L201-L276 HydrophobicContact CD1-CG 4.08Å; L273-L276 HydrophobicContact CB-CB 4.28Å; L273-L276 PolarHBondContact N-O 2.87Å; L273-L276 PolarHBondContact O-N 2.81Å; P274-L276 PolarHBondContact O-N 2.87Å; P274-L276 VanDerWaalsContact O-N 3.11Å |
| 277 | L | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 22 Ų | 22 | 31% | 0.309 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 145.9 | 167.1 | 69.7 | 92.2 | 0 | 0 | 0 | 109.7 | F112 I156 T270 I271 Y272 | F112-L277 HydrophobicContact CE2-CG 4.43Å; I156-L277 VanDerWaalsContact CD1-O 3.29Å; I156-L277 WeakPolarHBondContact CD1-O 3.23Å; I156-L277 VanDerWaalsContact CG1-O 3.29Å; I156-L277 WeakPolarHBondContact CG1-O 3.44Å; T270-L277 HydrophobicContact CG2-CB 4.39Å; T270-L277 HydrophobicContact CG2-CD1 4.42Å; I271-L277 WeakPolarHBondContact O-CA 3.22Å; Y272-L277 HydrophobicContact CD1-CB 3.71Å; Y272-L277 HydrophobicContact CD1-CD2 4.38Å; Y272-L277 HydrophobicContact CE1-CB 3.89Å; Y272-L277 HydrophobicContact CE1-CD2 3.9Å; Y272-L277 HydrophobicContact CE1-CG 4.49Å |
| 278 | A | 97.5 | Very high | 97 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 5% | 0.05 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 160 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | I156 L170 I172 T270 I271 | I156-A278 HydrophobicContact CG1-CB 4.16Å; L170-A278 HydrophobicContact CD2-CB 3.88Å; L170-A278 HydrophobicContact CG-CB 4.32Å; I172-A278 HydrophobicContact CD1-CB 3.4Å; I172-A278 VanDerWaalsContact CD1-CB 3.4Å; I172-A278 WeakPolarHBondContact CD1-O 3.38Å; I172-A278 HydrophobicContact CG1-CB 3.95Å; T270-A278 WeakPolarHBondContact CA-O 3.33Å; T270-A278 WeakPolarHBondContact CG2-O 3.34Å; I271-A278 PolarHBondContact N-O 3.4Å; I271-A278 PolarHBondContact O-N 3.14Å; I271-A278 VanDerWaalsContact O-N 3.15Å |
| 279 | Q | 97.4 | Very high | 97 | Very high | 106 Ų | 106 | 23 Ų | 23 | 50% | 0.495 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 146.2 | 179.3 | 65.8 | -174.1 | 7.6 | 0 | 0 | 111.4 | S154 I268 C269 T270 | S154-Q279 VanDerWaalsContact CB-O 3.28Å; S154-Q279 WeakPolarHBondContact CB-O 3.45Å; S154-Q279 PolarHBondContact OG-O 2.82Å; I268-Q279 HydrophobicContact CG2-CB 3.95Å; I268-Q279 HydrophobicContact CG2-CG 4.47Å; C269-Q279 CarbonylContact O-C 3.59Å; C269-Q279 WeakPolarHBondContact O-CA 3.34Å; T270-Q279 HydrophobicContact CG2-CB 4.23Å; T270-Q279 WeakPolarHBondContact OG1-CB 3.33Å |
| 280 | V | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.7 | 171 | 65.3 | 0 | 0 | 0 | 0 | 109.6 | I172 M177 I268 C269 M282 | I172-V280 HydrophobicContact CG2-CB 4.36Å; I172-V280 HydrophobicContact CG2-CG1 3.75Å; M177-V280 HydrophobicContact CE-CG2 4.09Å; M177-V280 HydrophobicContact SD-CG2 3.77Å; I268-V280 WeakPolarHBondContact CA-O 3.18Å; C269-V280 HydrophobicContact CB-CG1 3.98Å; C269-V280 PolarHBondContact N-O 3.45Å; C269-V280 PolarHBondContact O-N 2.95Å; V280-M282 HydrophobicContact CG1-SD 4.36Å |
| 281 | A | 96.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 41% | 0.413 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | M177 T266 Y267 I268 | M177-A281 WeakPolarHBondContact CE-O 3.32Å; T266-A281 HydrophobicContact CG2-CB 4.19Å; Y267-A281 CarbonylContact O-C 3.53Å; Y267-A281 WeakPolarHBondContact O-CA 3.47Å; I268-A281 HydrophobicContact CG1-CB 4.18Å |
| 282 | M | 96.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.2 | -167.8 | -59.1 | 154.8 | 64.6 | 0 | 0 | 109.4 | S174 T176 M177 L189 D190 W210 T266 Y267 V280 | S174-M282 WeakPolarHBondContact OG-CE 3.4Å; S174-M282 PolarHBondContact OG-SD 2.86Å; S174-M282 VanDerWaalsContact OG-SD 3.39Å; T176-M282 WeakPolarHBondContact O-CE 3.08Å; T176-M282 WeakPolarHBondContact OG1-CE 3.42Å; M177-M282 WeakPolarHBondContact O-CA 3.3Å; M177-M282 HydrophobicContact SD-CG 4.22Å; L189-M282 HydrophobicContact CB-CE 3.6Å; L189-M282 HydrophobicContact CD2-CE 4.23Å; L189-M282 HydrophobicContact CG-CE 4.39Å; D190-M282 WeakPolarHBondContact O-CE 3.32Å; W210-M282 HydrophobicContact CH2-CE 4.14Å; W210-M282 HydrophobicContact CH2-SD 3.73Å; W210-M282 HydrophobicContact CZ3-SD 4.03Å; T266-M282 CarbonylContact C-O 3.56Å; T266-M282 WeakPolarHBondContact CA-O 3.47Å; Y267-M282 PolarHBondContact N-O 3.4Å; Y267-M282 PolarHBondContact O-N 2.62Å; V280-M282 HydrophobicContact CG1-SD 4.36Å |
| 283 | E | 96.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 41% | 0.407 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.2 | 179.3 | -72 | -62.3 | 147.5 | 0 | 0 | 111.9 | M177 S178 A179 T266 | M177-E283 PolarHBondContact O-N 2.88Å; S178-E283 CarbonylContact C-O 3.58Å; S178-E283 WeakPolarHBondContact CA-O 3.15Å; A179-E283 PolarHBondContact N-O 2.89Å; T266-E283 WeakPolarHBondContact CB-OE1 3.21Å; T266-E283 WeakPolarHBondContact CG2-OE1 3.45Å; T266-E283 PolarHBondContact OG1-OE1 2.84Å |
| 284 | L | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127 | 170.2 | 178.1 | 57.1 | 0 | 0 | 0 | 110.1 | A179 V187 L256 H263 S264 G265 Y267 I286 | A179-L284 HydrophobicContact CB-CD1 3.99Å; V187-L284 HydrophobicContact CG1-CD1 3.84Å; V187-L284 HydrophobicContact CG1-CD2 4.19Å; L256-L284 HydrophobicContact CD1-CD2 3.85Å; H263-L284 HydrophobicContact CB-CD2 4.29Å; S264-L284 CarbonylContact C-O 3.54Å; S264-L284 VanDerWaalsContact CA-O 3.23Å; S264-L284 WeakPolarHBondContact CA-O 3.44Å; G265-L284 PolarHBondContact N-O 3.1Å; G265-L284 PolarHBondContact O-N 2.93Å; Y267-L284 HydrophobicContact CD2-CB 4.02Å; Y267-L284 HydrophobicContact CE2-CB 3.93Å; Y267-L284 HydrophobicContact CE2-CD2 3.81Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å; L284-I286 HydrophobicContact CD1-CD1 3.98Å; L284-I286 HydrophobicContact CD2-CD1 4.2Å; L284-I286 HydrophobicContact CG-CD1 3.97Å |
| 285 | E | 96.6 | Very high | 97.1 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.8 | 173.9 | -169.8 | -174.4 | -143.7 | 0 | 0 | 110.6 | A179 K180 S181 V287 P319 | A179-E285 PolarHBondContact O-N 2.98Å; K180-E285 WeakPolarHBondContact CA-O 3.17Å; K180-E285 VanDerWaalsContact CE-OE2 3.23Å; K180-E285 WeakPolarHBondContact CE-OE2 3.19Å; K180-E285 HydrophobicContact CG-CB 4.44Å; K180-E285 IonicContact NZ-OE2 2.68Å; K180-E285 PolarHBondContact NZ-OE2 2.82Å; S181-E285 PolarHBondContact N-O 3.18Å; E285-V287 HydrophobicContact CB-CG2 4.34Å; E285-V287 HydrophobicContact CG-CG2 3.74Å; E285-P319 HydrophobicContact CG-CG 4.24Å; E285-P319 WeakPolarHBondContact OE1-CG 3.25Å |
| 286 | I | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.3 | 174 | -54.4 | -45.7 | 0 | 0 | 0 | 109.4 | S181 L183 A259 K260 H263 S264 L284 A318 P319 | S181-I286 CarbonylContact O-C 3.52Å; S181-I286 WeakPolarHBondContact O-CA 3.27Å; L183-I286 HydrophobicContact CD1-CG2 4.29Å; A259-I286 HydrophobicContact CB-CD1 3.73Å; A259-I286 HydrophobicContact CB-CG1 4.45Å; K260-I286 WeakPolarHBondContact O-CG1 3.26Å; H263-I286 HydrophobicContact CB-CG1 4.48Å; S264-I286 WeakPolarHBondContact OG-CB 3.39Å; S264-I286 PolarHBondContact OG-N 3.06Å; S264-I286 VanDerWaalsContact OG-N 3.12Å; L284-I286 HydrophobicContact CD1-CD1 3.98Å; L284-I286 HydrophobicContact CD2-CD1 4.2Å; L284-I286 HydrophobicContact CG-CD1 3.97Å; I286-A318 CarbonylContact O-C 3.55Å; I286-P319 WeakPolarHBondContact O-CD 3.27Å |
| 287 | V | 97.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | trans | -119.4 | 99.9 | -171.5 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | K180 S181 E285 A318 A382 G383 | K180-V287 HydrophobicContact CD-CG2 4.23Å; S181-V287 PolarHBondContact O-N 3.25Å; E285-V287 HydrophobicContact CB-CG2 4.34Å; E285-V287 HydrophobicContact CG-CG2 3.74Å; V287-A318 CarbonylContact C-O 3.56Å; V287-A318 VanDerWaalsContact CA-O 3.28Å; V287-A318 WeakPolarHBondContact CA-O 3.32Å; V287-A382 HydrophobicContact CG1-CB 4.07Å; V287-G383 VanDerWaalsContact CG1-CA 3.42Å; V287-G383 VanDerWaalsContact CG1-N 3.29Å | ||
| 288 | E | 97.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 120.5 | 173.4 | -165.3 | 57.2 | -133.7 | 0 | 0 | 110.5 | R182 L183 F317 A318 H381 | R182-E288 WeakPolarHBondContact CB-OE2 3.41Å; L183-E288 HydrophobicContact CB-CB 4.33Å; L183-E288 HydrophobicContact CB-CG 4.28Å; L183-E288 PolarHBondContact N-OE2 2.8Å; E288-F317 CarbonylContact O-C 3.56Å; E288-F317 WeakPolarHBondContact O-CA 3.44Å; E288-F317 WeakPolarHBondContact O-CB 3.47Å; E288-A318 PolarHBondContact N-O 3.4Å; E288-A318 PolarHBondContact O-N 2.94Å; E288-H381 PolarHBondContact O-CE1 2.73Å |
| 289 | P | 97.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 151.8 | 178.7 | 30.3 | -37.2 | 0 | 0 | 0 | 113.1 | R386 | P289-R386 HydrophobicContact CB-CG 4.3Š|
| 290 | P | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.9 | -176.2 | 27.1 | -35.9 | 0 | 0 | 0 | 114.1 | L292 A314 F317 L322 A379 R386 | P290-L292 HydrophobicContact CB-CD2 4.22Å; P290-L292 HydrophobicContact CG-CD2 4.4Å; P290-A314 HydrophobicContact CB-CB 3.97Å; P290-F317 HydrophobicContact CB-CB 3.89Å; P290-F317 HydrophobicContact CB-CD1 4.08Å; P290-F317 HydrophobicContact CB-CG 4.28Å; P290-F317 HydrophobicContact CG-CB 4.45Å; P290-L322 HydrophobicContact CB-CD2 4.37Å; P290-L322 HydrophobicContact CG-CD1 3.86Å; P290-L322 HydrophobicContact CG-CD2 4.31Å; P290-A379 HydrophobicContact CG-CB 4Å; P290-R386 HydrophobicContact CG-CB 4.38Å; P290-R386 HydrophobicContact CG-CG 4.22Å |
| 291 | S | 97.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.1 | 155.1 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | A314 S315 | S291-A314 CarbonylContact O-C 3.58Å; S291-A314 VanDerWaalsContact O-CA 3.32Å; S291-A314 WeakPolarHBondContact O-CA 3.48Å; S291-S315 PolarHBondContact N-O 2.84Å; S291-S315 PolarHBondContact O-N 3.18Å |
| 292 | L | 98.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135 | -177.7 | -64.4 | -175.3 | 0 | 0 | 0 | 111.8 | P290 E313 A314 L324 A379 R386 A388 | P290-L292 HydrophobicContact CB-CD2 4.22Å; P290-L292 HydrophobicContact CG-CD2 4.4Å; L292-E313 WeakPolarHBondContact CA-O 3.27Å; L292-A314 HydrophobicContact CD2-CB 3.51Å; L292-L324 HydrophobicContact CD2-CD2 4.45Å; L292-A379 HydrophobicContact CD1-CB 3.79Å; L292-A379 HydrophobicContact CD2-CB 3.71Å; L292-A379 HydrophobicContact CG-CB 4.24Å; L292-R386 HydrophobicContact CD1-CB 3.81Å; L292-R386 HydrophobicContact CG-CB 4.16Å; L292-A388 HydrophobicContact CB-CB 3.66Å; L292-A388 HydrophobicContact CD1-CB 4.29Å |
| 293 | S | 97.5 | Very high | 93.9 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.5 | 168.1 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | H295 C312 E313 | S293-H295 WeakPolarHBondContact CB-NE2 3.44Å; S293-H295 PolarHBondContact OG-NE2 2.89Å; S293-C312 CarbonylContact O-C 3.6Å; S293-C312 WeakPolarHBondContact O-CA 3.46Å; S293-E313 PolarHBondContact N-O 2.85Å; S293-E313 PolarHBondContact O-N 2.87Å |
| 294 | I | 97.8 | Very high | 93 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.7 | 173.8 | -64.1 | 169.5 | 0 | 0 | 0 | 108.3 | S297 Q311 C312 W326 C377 A388 V390 | I294-S297 WeakPolarHBondContact O-CB 3.32Å; I294-Q311 CarbonylContact C-O 3.59Å; I294-Q311 WeakPolarHBondContact CA-O 3.43Å; I294-C312 HydrophobicContact CG1-CB 4.44Å; I294-W326 HydrophobicContact CD1-CZ3 3.98Å; I294-W326 HydrophobicContact CG1-CH2 4.29Å; I294-W326 HydrophobicContact CG1-CZ3 4.16Å; I294-W326 HydrophobicContact CG2-CH2 4.12Å; I294-W326 HydrophobicContact CG2-CZ3 4.21Å; I294-C377 HydrophobicContact CD1-CB 3.86Å; I294-C377 HydrophobicContact CG1-CB 4.01Å; I294-A388 HydrophobicContact CD1-CB 4.22Å; I294-A388 VanDerWaalsContact CD1-O 3.27Å; I294-A388 WeakPolarHBondContact CD1-O 3.12Å; I294-A388 HydrophobicContact CG1-CB 4.35Å; I294-V390 HydrophobicContact CB-CG1 4.44Å; I294-V390 HydrophobicContact CD1-CG1 4.22Å; I294-V390 HydrophobicContact CG2-CB 4.47Å; I294-V390 HydrophobicContact CG2-CG1 3.8Å |
| 295 | H | 96.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.8 | -179.8 | -62 | -78.8 | 0 | 0 | 0 | 110.6 | S293 Q311 | S293-H295 WeakPolarHBondContact CB-NE2 3.44Å; S293-H295 PolarHBondContact OG-NE2 2.89Å; H295-Q311 PolarHBondContact N-O 2.8Å; H295-Q311 PolarHBondContact O-N 2.84Å |
| 296 | P | 95.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | S | Bend | cis | -67 | 158.8 | -7.3 | 29.4 | -34.1 | 0 | 0 | 0 | 112.3 | L299 | P296-L299 HydrophobicContact CG-CD2 4.07Å; P296-L299 WeakPolarHBondContact O-CD2 3.32Å |
| 297 | S | 91.1 | Very high | 91.3 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -143.2 | 124.1 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | I294 | I294-S297 WeakPolarHBondContact O-CB 3.32Š|
| 298 | P | 90.4 | Very high | 91 | Very high | 108 Ų | 108 | 53.5 Ų | 53.5 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | S | Bend | cis | -64.2 | 162.8 | -5.6 | 30.7 | -36.8 | 0 | 0 | 0 | 112.4 | ||
| 299 | L | 89.6 | Confident | 90.8 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 147 | 173.1 | -67.1 | -174.6 | 0 | 0 | 0 | 111.4 | P296 L310 V390 L392 | P296-L299 HydrophobicContact CG-CD2 4.07Å; P296-L299 WeakPolarHBondContact O-CD2 3.32Å; L299-L310 HydrophobicContact CD1-CD2 4.33Å; L299-L310 HydrophobicContact CD2-CD2 3.38Å; L299-V390 HydrophobicContact CD1-CG1 3.7Å; L299-V390 HydrophobicContact CD2-CG1 4.13Å; L299-V390 HydrophobicContact CG-CB 4.44Å; L299-V390 HydrophobicContact CG-CG1 3.75Å; L299-V390 HydrophobicContact CG-CG2 3.83Å; L299-L392 HydrophobicContact CD1-CB 4.05Å; L299-L392 HydrophobicContact CD1-CD1 3.89Å |
| 300 | P | 87.7 | Confident | 90.8 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153 | 168.4 | 29.7 | -35.7 | 0 | 0 | 0 | 110.6 | A302 L308 | P300-A302 PolarHBondContact O-N 2.61Å; P300-L308 HydrophobicContact CG-CD2 4.05Å |
| 301 | L | 86.1 | Confident | 90.8 | Very high | 107 Ų | 107 | 57 Ų | 57 | 56% | 0.56 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 121.7 | 170 | -77.7 | 167.1 | 0 | 0 | 0 | 109.9 | N393 I395 | L301-N393 HydrophobicContact CD2-CB 3.72Å; L301-I395 HydrophobicContact CB-CD1 3.88Å; L301-I395 HydrophobicContact CB-CG1 3.91Å; L301-I395 HydrophobicContact CD2-CG1 4.5Å |
| 302 | A | 83.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -89 | 134.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P300 L308 T364 L392 N393 V394 I395 | P300-A302 PolarHBondContact O-N 2.61Å; A302-L308 HydrophobicContact CB-CD1 4.02Å; A302-T364 HydrophobicContact CB-CG2 4.08Å; A302-L392 HydrophobicContact CB-CD1 3.76Å; A302-N393 PolarHBondContact N-O 3.36Å; A302-V394 HydrophobicContact CB-CG2 4.29Å; A302-V394 CarbonylContact O-C 3.48Å; A302-V394 WeakPolarHBondContact O-CA 3.36Å; A302-I395 PolarHBondContact O-N 3.39Å |
| 303 | V | 82.3 | Confident | 90.8 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -90 | 140.3 | 169 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | G305 Q306 T364 I395 | V303-G305 PolarHBondContact O-N 2.86Å; V303-Q306 HydrophobicContact CB-CB 4.24Å; V303-Q306 WeakPolarHBondContact O-CB 3.16Å; V303-Q306 PolarHBondContact O-N 2.96Å; V303-T364 PolarHBondContact O-OG1 3.28Å; V303-I395 HydrophobicContact CG2-CD1 4.11Å |
| 304 | P | 79.4 | Confident | 90.8 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.3 | 170.6 | -26.1 | 35.4 | 0 | 0 | 0 | 111.8 | V394 I395 | P304-V394 HydrophobicContact CG-CG1 3.99Å; P304-I395 WeakPolarHBondContact CD-O 3.47Å |
| 305 | G | 78 | Confident | 90.8 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -1.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V303 T364 | V303-G305 PolarHBondContact O-N 2.86Å; G305-T364 PolarHBondContact N-OG1 2.74Å |
| 306 | Q | 86.3 | Confident | 90.8 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 138.3 | 171.6 | -173.1 | 179.5 | 3.4 | 0 | 0 | 111.8 | V303 L308 T364 | V303-Q306 HydrophobicContact CB-CB 4.24Å; V303-Q306 WeakPolarHBondContact O-CB 3.16Å; V303-Q306 PolarHBondContact O-N 2.96Å; Q306-L308 HydrophobicContact CG-CD2 4.2Å; Q306-T364 PolarHBondContact N-OG1 2.88Å; Q306-T364 WeakPolarHBondContact O-CB 3.43Å; Q306-T364 WeakPolarHBondContact O-CG2 3.21Å; Q306-T364 PolarHBondContact O-N 3.04Å; Q306-T364 PolarHBondContact O-OG1 3.25Å |
| 307 | T | 89.8 | Confident | 90.9 | Very high | 82 Ų | 82 | 47.3 Ų | 47.3 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.8 | 165.5 | -52.1 | 0 | 0 | 0 | 0 | 110 | D361 L362 | T307-D361 HydrophobicContact CG2-CB 3.95Å; T307-L362 WeakPolarHBondContact CA-O 3.29Å |
| 308 | L | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128 | 173.1 | -62.7 | -179.8 | 0 | 0 | 0 | 110.5 | P300 A302 Q306 L310 L362 L392 | P300-L308 HydrophobicContact CG-CD2 4.05Å; A302-L308 HydrophobicContact CB-CD1 4.02Å; Q306-L308 HydrophobicContact CG-CD2 4.2Å; L308-L310 HydrophobicContact CB-CD2 4.24Å; L308-L362 HydrophobicContact CB-CB 4.41Å; L308-L362 PolarHBondContact N-O 3.38Å; L308-L362 PolarHBondContact O-N 2.88Å; L308-L392 HydrophobicContact CD1-CD1 3.49Å; L308-L392 VanDerWaalsContact CD1-CD1 3.49Å |
| 309 | N | 94.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.9 | 169.7 | -172.2 | -98.9 | 0 | 0 | 0 | 109.4 | D361 | N309-D361 PolarHBondContact ND2-OD1 2.82Å |
| 310 | L | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.7 | 176.9 | -52.8 | -173.3 | 0 | 0 | 0 | 109.5 | L299 L308 W326 R359 L360 L362 V375 | L299-L310 HydrophobicContact CD1-CD2 4.33Å; L299-L310 HydrophobicContact CD2-CD2 3.38Å; L308-L310 HydrophobicContact CB-CD2 4.24Å; L310-W326 HydrophobicContact CB-CH2 3.78Å; L310-W326 HydrophobicContact CB-CZ2 4.28Å; L310-W326 HydrophobicContact CB-CZ3 4.31Å; L310-W326 HydrophobicContact CD1-CZ3 4.35Å; L310-R359 CarbonylContact O-C 3.58Å; L310-R359 VanDerWaalsContact O-CA 3.27Å; L310-R359 WeakPolarHBondContact O-CA 3.47Å; L310-L360 HydrophobicContact CB-CB 4.5Å; L310-L360 PolarHBondContact N-O 3.07Å; L310-L360 PolarHBondContact O-N 2.89Å; L310-L362 HydrophobicContact CD1-CB 4.32Å; L310-L362 HydrophobicContact CD1-CD2 3.98Å; L310-V375 HydrophobicContact CD1-CB 4.41Å; L310-V375 HydrophobicContact CD1-CG1 3.79Å; L310-V375 HydrophobicContact CD1-CG2 4.34Å |
| 311 | Q | 97.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.4 | 171.4 | -177 | 177.4 | -53.4 | 0 | 0 | 109.7 | I294 H295 S358 R359 | I294-Q311 CarbonylContact C-O 3.59Å; I294-Q311 WeakPolarHBondContact CA-O 3.43Å; H295-Q311 PolarHBondContact N-O 2.8Å; H295-Q311 PolarHBondContact O-N 2.84Å; Q311-S358 CarbonylContact C-O 3.51Å; Q311-S358 WeakPolarHBondContact CA-O 3.25Å; Q311-R359 HydrophobicContact CB-CG 4.2Å; Q311-R359 HydrophobicContact CG-CG 4.07Å |
| 312 | C | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.3 | 164.7 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | S293 I294 W326 S357 S358 C377 | S293-C312 CarbonylContact O-C 3.6Å; S293-C312 WeakPolarHBondContact O-CA 3.46Å; I294-C312 HydrophobicContact CG1-CB 4.44Å; C312-W326 HydrophobicContact CB-CH2 3.55Å; C312-W326 HydrophobicContact CB-CZ2 3.37Å; C312-W326 HydrophobicContact CB-CZ3 4.34Å; C312-W326 VanDerWaalsContact N-CZ2 3.31Å; C312-S357 CarbonylContact O-C 3.55Å; C312-S357 WeakPolarHBondContact O-CA 3.27Å; C312-S357 VanDerWaalsContact O-CB 3.32Å; C312-S357 WeakPolarHBondContact O-CB 3.13Å; C312-S358 PolarHBondContact N-O 3.03Å; C312-S358 PolarHBondContact O-N 2.87Å; C312-C377 HydrophobicContact CB-CB 3.6Å; C312-C377 WeakPolarHBondContact CB-SG 3.04Å; C312-C377 WeakPolarHBondContact SG-CB 3.39Å; C312-C377 CovalentContact SG-SG 2.03Å; C312-C377 PolarHBondContact SG-SG 3.41Å |
| 313 | E | 97.7 | Very high | 93.2 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.4 | 174.4 | -179.8 | 157.7 | -158.3 | 0 | 0 | 109.4 | L292 S293 | L292-E313 WeakPolarHBondContact CA-O 3.27Å; S293-E313 PolarHBondContact N-O 2.85Å; S293-E313 PolarHBondContact O-N 2.87Å |
| 314 | A | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | P290 S291 L292 F317 L322 L324 S355 Q356 | P290-A314 HydrophobicContact CB-CB 3.97Å; S291-A314 CarbonylContact O-C 3.58Å; S291-A314 VanDerWaalsContact O-CA 3.32Å; S291-A314 WeakPolarHBondContact O-CA 3.48Å; L292-A314 HydrophobicContact CD2-CB 3.51Å; A314-F317 HydrophobicContact CB-CE1 4.43Å; A314-L322 HydrophobicContact CB-CD2 3.48Å; A314-L322 VanDerWaalsContact CB-CD2 3.48Å; A314-L324 HydrophobicContact CB-CD1 4.35Å; A314-L324 HydrophobicContact CB-CD2 4.09Å; A314-S355 CarbonylContact O-C 3.56Å; A314-S355 WeakPolarHBondContact O-CA 3.45Å; A314-S355 VanDerWaalsContact O-CB 3.32Å; A314-S355 WeakPolarHBondContact O-CB 3.33Å; A314-Q356 PolarHBondContact N-O 2.86Å; A314-Q356 PolarHBondContact O-N 3.01Å |
| 315 | S | 97.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.2 | -173.3 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | S291 | S291-S315 PolarHBondContact N-O 2.84Å; S291-S315 PolarHBondContact O-N 3.18Å |
| 316 | G | 96.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.7 | 22.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F354 | G316-F354 PolarHBondContact N-O 3.39Å |
| 317 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 149.7 | -175.8 | 70.4 | -90.9 | 0 | 0 | 0 | 113.5 | E288 P290 A314 L320 L322 F354 Q356 | E288-F317 CarbonylContact O-C 3.56Å; E288-F317 WeakPolarHBondContact O-CA 3.44Å; E288-F317 WeakPolarHBondContact O-CB 3.47Å; P290-F317 HydrophobicContact CB-CB 3.89Å; P290-F317 HydrophobicContact CB-CD1 4.08Å; P290-F317 HydrophobicContact CB-CG 4.28Å; P290-F317 HydrophobicContact CG-CB 4.45Å; A314-F317 HydrophobicContact CB-CE1 4.43Å; F317-L320 HydrophobicContact CE2-CD2 3.81Å; F317-L320 HydrophobicContact CZ-CD2 4.17Å; F317-L322 HydrophobicContact CD1-CD2 3.89Å; F317-L322 HydrophobicContact CD2-CB 4.12Å; F317-L322 HydrophobicContact CE1-CB 4.32Å; F317-L322 HydrophobicContact CE1-CD2 3.57Å; F317-L322 HydrophobicContact CE2-CB 3.52Å; F317-L322 HydrophobicContact CE2-CD2 4.25Å; F317-L322 HydrophobicContact CE2-CG 4.4Å; F317-L322 HydrophobicContact CG-CD2 4.35Å; F317-L322 HydrophobicContact CZ-CB 3.63Å; F317-L322 HydrophobicContact CZ-CD2 3.77Å; F317-L322 HydrophobicContact CZ-CG 4.3Å; F317-F354 HydrophobicContact CD1-CB 4.49Å; F317-F354 WeakPolarHBondContact CD1-O 3.28Å; F317-F354 HydrophobicContact CD2-CB 4.22Å; F317-F354 HydrophobicContact CE1-CB 4.11Å; F317-F354 WeakPolarHBondContact CE1-O 3.32Å; F317-F354 HydrophobicContact CE2-CB 3.81Å; F317-F354 HydrophobicContact CZ-CB 3.76Å; F317-F354 PolarHBondContact N-O 3.36Å; F317-F354 VanDerWaalsContact N-O 3.1Å; F317-F354 PolarHBondContact O-N 2.96Å; F317-Q356 HydrophobicContact CE1-CB 4.26Å; F317-Q356 HydrophobicContact CZ-CB 4.25Å |
| 318 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -153.4 | 146.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V261 I286 V287 E288 H381 | V261-A318 HydrophobicContact CG1-CB 3.99Å; V261-A318 HydrophobicContact CG2-CB 3.88Å; I286-A318 CarbonylContact O-C 3.55Å; V287-A318 CarbonylContact C-O 3.56Å; V287-A318 VanDerWaalsContact CA-O 3.28Å; V287-A318 WeakPolarHBondContact CA-O 3.32Å; E288-A318 PolarHBondContact N-O 3.4Å; E288-A318 PolarHBondContact O-N 2.94Å; A318-H381 PolarHBondContact O-CE1 2.68Å; A318-H381 PolarHBondContact O-NE2 3.21Å |
| 319 | P | 96.3 | Very high | 96.2 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 19% | 0.188 | 20% | 0.2 | C | C | . | . | S | Bend | cis | -82.3 | -171.8 | -6.1 | 36 | -35.8 | 0 | 0 | 0 | 111.8 | E285 I286 H381 | E285-P319 HydrophobicContact CG-CG 4.24Å; E285-P319 WeakPolarHBondContact OE1-CG 3.25Å; I286-P319 WeakPolarHBondContact O-CD 3.27Å; P319-H381 PolarHBondContact O-NE2 2.79Å |
| 320 | L | 94.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -85 | 155.4 | 164.9 | -75.1 | 163.8 | 0 | 0 | 0 | 110.4 | F317 H346 F354 | F317-L320 HydrophobicContact CE2-CD2 3.81Å; F317-L320 HydrophobicContact CZ-CD2 4.17Å; L320-H346 VanDerWaalsContact CD2-CE1 3.44Å; L320-H346 WeakPolarHBondContact CD2-CE1 3.19Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.47Å; L320-F354 HydrophobicContact CD1-CD1 3.86Å; L320-F354 HydrophobicContact CD1-CD2 4.16Å; L320-F354 HydrophobicContact CD1-CE1 3.71Å; L320-F354 HydrophobicContact CD1-CE2 4.02Å; L320-F354 HydrophobicContact CD1-CG 4.08Å; L320-F354 HydrophobicContact CD1-CZ 3.79Å; L320-F354 HydrophobicContact CD2-CG 4.33Å; L320-F354 HydrophobicContact CG-CD1 4.27Å; L320-F354 HydrophobicContact CG-CD2 3.86Å; L320-F354 HydrophobicContact CG-CE1 4.45Å; L320-F354 HydrophobicContact CG-CE2 4.05Å; L320-F354 HydrophobicContact CG-CG 3.97Å; L320-F354 HydrophobicContact CG-CZ 4.34Å |
| 321 | P | 95.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 36.5 Ų | 36.5 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | cis | -86 | 172.8 | 0.7 | 35.4 | -36.1 | 0 | 0 | 0 | 113.7 | ||||
| 322 | L | 96.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | trans | -126.3 | 132.1 | 167 | -179.3 | 73.3 | 0 | 0 | 0 | 109.2 | P290 A314 F317 L324 A379 V380 H381 | P290-L322 HydrophobicContact CB-CD2 4.37Å; P290-L322 HydrophobicContact CG-CD1 3.86Å; P290-L322 HydrophobicContact CG-CD2 4.31Å; A314-L322 HydrophobicContact CB-CD2 3.48Å; A314-L322 VanDerWaalsContact CB-CD2 3.48Å; F317-L322 HydrophobicContact CD1-CD2 3.89Å; F317-L322 HydrophobicContact CD2-CB 4.12Å; F317-L322 HydrophobicContact CE1-CB 4.32Å; F317-L322 HydrophobicContact CE1-CD2 3.57Å; F317-L322 HydrophobicContact CE2-CB 3.52Å; F317-L322 HydrophobicContact CE2-CD2 4.25Å; F317-L322 HydrophobicContact CE2-CG 4.4Å; F317-L322 HydrophobicContact CG-CD2 4.35Å; F317-L322 HydrophobicContact CZ-CB 3.63Å; F317-L322 HydrophobicContact CZ-CD2 3.77Å; F317-L322 HydrophobicContact CZ-CG 4.3Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.2Å; L322-L324 HydrophobicContact CG-CD2 4.38Å; L322-A379 HydrophobicContact CD1-CB 4.17Å; L322-V380 WeakPolarHBondContact CD1-O 3.41Å; L322-H381 HydrophobicContact CD1-CB 3.57Å | ||
| 323 | E | 96.6 | Very high | 93 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.1 | 173.8 | -64.5 | -174.7 | 173.1 | 0 | 0 | 110.2 | A379 V380 | E323-A379 CarbonylContact O-C 3.49Å; E323-A379 WeakPolarHBondContact O-CA 2.99Å; E323-V380 HydrophobicContact CB-CB 4.29Å; E323-V380 PolarHBondContact N-O 3.39Å; E323-V380 PolarHBondContact O-N 3.4Å |
| 324 | L | 97.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.1 | 171 | -64.9 | -179.6 | 0 | 0 | 0 | 110.7 | L292 A314 L322 S340 M343 V378 A379 | L292-L324 HydrophobicContact CD2-CD2 4.45Å; A314-L324 HydrophobicContact CB-CD1 4.35Å; A314-L324 HydrophobicContact CB-CD2 4.09Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.2Å; L322-L324 HydrophobicContact CG-CD2 4.38Å; L324-S340 WeakPolarHBondContact O-CA 2.98Å; L324-S340 WeakPolarHBondContact O-CB 3Å; L324-S340 PolarHBondContact O-OG 3Å; L324-M343 HydrophobicContact CB-CE 3.89Å; L324-M343 HydrophobicContact CB-SD 4.01Å; L324-M343 HydrophobicContact CD1-CE 3.91Å; L324-M343 HydrophobicContact CD1-SD 4.41Å; L324-M343 HydrophobicContact CG-CE 4.01Å; L324-V378 WeakPolarHBondContact CA-O 3.39Å; L324-A379 HydrophobicContact CD2-CB 3.47Å; L324-A379 VanDerWaalsContact CD2-CB 3.47Å |
| 325 | S | 97.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.8 | 171.7 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | V378 | S325-V378 PolarHBondContact N-O 2.78Å; S325-V378 PolarHBondContact O-N 3Å |
| 326 | W | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.5 | 176.5 | -66.1 | 90.2 | 0 | 0 | 0 | 110.1 | I294 L310 C312 L338 G339 S358 L360 V375 T376 C377 | I294-W326 HydrophobicContact CD1-CZ3 3.98Å; I294-W326 HydrophobicContact CG1-CH2 4.29Å; I294-W326 HydrophobicContact CG1-CZ3 4.16Å; I294-W326 HydrophobicContact CG2-CH2 4.12Å; I294-W326 HydrophobicContact CG2-CZ3 4.21Å; L310-W326 HydrophobicContact CB-CH2 3.78Å; L310-W326 HydrophobicContact CB-CZ2 4.28Å; L310-W326 HydrophobicContact CB-CZ3 4.31Å; L310-W326 HydrophobicContact CD1-CZ3 4.35Å; C312-W326 HydrophobicContact CB-CH2 3.55Å; C312-W326 HydrophobicContact CB-CZ2 3.37Å; C312-W326 HydrophobicContact CB-CZ3 4.34Å; C312-W326 VanDerWaalsContact N-CZ2 3.31Å; W326-L338 HydrophobicContact CB-CB 3.79Å; W326-L338 HydrophobicContact CB-CD1 4.28Å; W326-L338 PolarHBondContact O-N 2.79Å; W326-G339 PolarHBondContact N-O 3.36Å; W326-S358 PolarHBondContact NE1-OG 3.31Å; W326-L360 HydrophobicContact CB-CD2 3.94Å; W326-L360 HydrophobicContact CD2-CB 4.17Å; W326-L360 HydrophobicContact CD2-CD2 3.93Å; W326-L360 HydrophobicContact CE3-CD2 4.33Å; W326-L360 HydrophobicContact CG-CB 4.28Å; W326-L360 HydrophobicContact CG-CD2 3.8Å; W326-L360 HydrophobicContact CZ2-CB 4.12Å; W326-V375 HydrophobicContact CE3-CG1 3.64Å; W326-V375 HydrophobicContact CZ3-CG1 3.82Å; W326-T376 CarbonylContact C-O 3.47Å; W326-T376 WeakPolarHBondContact CA-O 3.39Å; W326-C377 HydrophobicContact CD2-CB 4.48Å; W326-C377 HydrophobicContact CE3-CB 4.06Å; W326-C377 HydrophobicContact CH2-CB 4.48Å; W326-C377 HydrophobicContact CZ3-CB 4.05Å |
| 327 | E | 95.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.9 | 170.9 | -65.6 | 175.3 | -167 | 0 | 0 | 108.6 | R336 T376 V378 R387 | E327-R336 CarbonylContact C-O 3.57Å; E327-R336 WeakPolarHBondContact CA-O 3.37Å; E327-T376 PolarHBondContact N-O 3.45Å; E327-T376 PolarHBondContact O-N 2.92Å; E327-V378 HydrophobicContact CG-CG2 3.98Å; E327-R387 IonicContact OE1-CZ 3.88Å; E327-R387 IonicContact OE1-NH1 2.68Å; E327-R387 PolarHBondContact OE1-NH1 3.4Å; E327-R387 VanDerWaalsContact OE1-NH1 3.12Å; E327-R387 IonicContact OE1-NH2 2.98Å; E327-R387 PolarHBondContact OE1-NH2 3.35Å; E327-R387 IonicContact OE2-CZ 2.92Å; E327-R387 IonicContact OE2-NH1 2.74Å; E327-R387 PolarHBondContact OE2-NH1 3.35Å; E327-R387 IonicContact OE2-NH2 3.12Å |
| 328 | F | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.3 | 165.4 | 169.7 | -87.3 | 0 | 0 | 0 | 109.8 | G330 S335 R336 L338 L367 L369 E374 V375 L392 | F328-G330 VanDerWaalsContact CE1-CA 3.4Å; F328-S335 CarbonylContact O-C 3.56Å; F328-S335 VanDerWaalsContact O-CA 3.3Å; F328-S335 WeakPolarHBondContact O-CA 2.85Å; F328-R336 HydrophobicContact CB-CG 4.48Å; F328-R336 HydrophobicContact CD1-CG 4.44Å; F328-R336 VanDerWaalsContact CD1-CZ 3.41Å; F328-R336 PolarHBondContact N-O 3.48Å; F328-R336 PolarHBondContact O-N 2.89Å; F328-L338 HydrophobicContact CB-CD1 3.7Å; F328-L338 HydrophobicContact CB-CD2 4.43Å; F328-L338 HydrophobicContact CB-CG 4.16Å; F328-L367 HydrophobicContact CB-CD2 4.46Å; F328-L367 HydrophobicContact CD1-CD2 4.18Å; F328-L367 HydrophobicContact CD2-CD2 3.64Å; F328-L367 HydrophobicContact CE1-CD2 4.29Å; F328-L367 HydrophobicContact CE2-CD2 3.79Å; F328-L367 HydrophobicContact CG-CD2 3.82Å; F328-L367 HydrophobicContact CZ-CD2 4.1Å; F328-L369 HydrophobicContact CE2-CD2 3.98Å; F328-L369 HydrophobicContact CZ-CD2 3.83Å; F328-E374 CarbonylContact C-O 3.59Å; F328-E374 WeakPolarHBondContact CA-O 3.4Å; F328-E374 WeakPolarHBondContact CD2-O 3.29Å; F328-V375 HydrophobicContact CD2-CG2 3.93Å; F328-L392 HydrophobicContact CE2-CD2 4.12Å |
| 329 | K | 91.4 | Very high | 90.8 | Very high | 89 Ų | 89 | 58 Ų | 58 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.2 | 173.8 | -172.7 | 179.3 | 178 | -175.3 | 0 | 110 | K334 G373 E374 | K329-K334 WeakPolarHBondContact CA-O 3.44Å; K329-G373 WeakPolarHBondContact O-CA 3.35Å; K329-E374 HydrophobicContact CB-CB 4.37Å; K329-E374 PolarHBondContact N-O 2.81Å; K329-E374 PolarHBondContact O-N 2.81Å |
| 330 | G | 85.6 | Confident | 90.5 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 168.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F328 D332 G333 K334 | F328-G330 VanDerWaalsContact CE1-CA 3.4Å; G330-D332 PolarHBondContact O-N 3.41Å; G330-G333 WeakPolarHBondContact O-CA 3.35Å; G330-G333 PolarHBondContact O-N 2.8Å; G330-K334 PolarHBondContact N-O 2.96Å |
| 331 | A | 76.4 | Confident | 90.3 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G333 | A331-G333 PolarHBondContact O-N 2.88Š|
| 332 | D | 76.5 | Confident | 90.4 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -1.1 | 170.6 | 74.6 | -24 | 0 | 0 | 0 | 113.5 | G330 K334 | G330-D332 PolarHBondContact O-N 3.41Å; D332-K334 VanDerWaalsContact C-N 3.28Å; D332-K334 PolarHBondContact O-N 2.85Å; D332-K334 PolarHBondContact OD1-N 2.11Å; D332-K334 VanDerWaalsContact OD2-CD 3.29Å; D332-K334 WeakPolarHBondContact OD2-CD 3.46Å; D332-K334 WeakPolarHBondContact OD2-CE 3.38Å; D332-K334 VanDerWaalsContact OD2-CG 3.24Å; D332-K334 WeakPolarHBondContact OD2-CG 3.42Å; D332-K334 IonicContact OD2-NZ 3.11Å; D332-K334 PolarHBondContact OD2-NZ 2.91Å |
| 333 | G | 79.7 | Confident | 90.3 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 80.2 | -2.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G330 A331 | G330-G333 WeakPolarHBondContact O-CA 3.35Å; G330-G333 PolarHBondContact O-N 2.8Å; A331-G333 PolarHBondContact O-N 2.88Å |
| 334 | K | 83.5 | Confident | 90.3 | Very high | 147 Ų | 147 | 58.4 Ų | 58.4 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | trans | -81 | 128 | -179.3 | -62.3 | -169.6 | -159.1 | 105.8 | 0 | 111.1 | K329 G330 D332 | K329-K334 WeakPolarHBondContact CA-O 3.44Å; G330-K334 PolarHBondContact N-O 2.96Å; D332-K334 VanDerWaalsContact C-N 3.28Å; D332-K334 PolarHBondContact O-N 2.85Å; D332-K334 PolarHBondContact OD1-N 2.11Å; D332-K334 VanDerWaalsContact OD2-CD 3.29Å; D332-K334 WeakPolarHBondContact OD2-CD 3.46Å; D332-K334 WeakPolarHBondContact OD2-CE 3.38Å; D332-K334 VanDerWaalsContact OD2-CG 3.24Å; D332-K334 WeakPolarHBondContact OD2-CG 3.42Å; D332-K334 IonicContact OD2-NZ 3.11Å; D332-K334 PolarHBondContact OD2-NZ 2.91Å | ||
| 335 | S | 88.4 | Confident | 90.1 | Very high | 77 Ų | 77 | 61 Ų | 61 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.6 | 170.7 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F328 | F328-S335 CarbonylContact O-C 3.56Å; F328-S335 VanDerWaalsContact O-CA 3.3Å; F328-S335 WeakPolarHBondContact O-CA 2.85Å |
| 336 | R | 89.1 | Confident | 90 | Very high | 83 Ų | 83 | 64 Ų | 64 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.6 | 171.3 | 54.9 | -178.4 | 162.8 | 80.7 | 6.1 | 111.2 | E327 F328 L367 | E327-R336 CarbonylContact C-O 3.57Å; E327-R336 WeakPolarHBondContact CA-O 3.37Å; F328-R336 HydrophobicContact CB-CG 4.48Å; F328-R336 HydrophobicContact CD1-CG 4.44Å; F328-R336 VanDerWaalsContact CD1-CZ 3.41Å; F328-R336 PolarHBondContact N-O 3.48Å; F328-R336 PolarHBondContact O-N 2.89Å; R336-L367 VanDerWaalsContact NH2-CB 3.26Å; R336-L367 VanDerWaalsContact NH2-CD2 3.27Å |
| 337 | S | 92.4 | Very high | 90 | Very high | 91 Ų | 91 | 70.8 Ų | 70.8 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 140.6 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | G339 | S337-G339 PolarHBondContact OG-N 2.03Å |
| 338 | L | 92 | Very high | 90 | Very high | 44 Ų | 44 | 74.7 Ų | 74.7 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 2.7 | 173.1 | -63.1 | 171 | 0 | 0 | 0 | 111.4 | W326 F328 L360 L362 | W326-L338 HydrophobicContact CB-CB 3.79Å; W326-L338 HydrophobicContact CB-CD1 4.28Å; W326-L338 PolarHBondContact O-N 2.79Å; F328-L338 HydrophobicContact CB-CD1 3.7Å; F328-L338 HydrophobicContact CB-CD2 4.43Å; F328-L338 HydrophobicContact CB-CG 4.16Å; L338-L360 HydrophobicContact CB-CD2 4.16Å; L338-L360 HydrophobicContact CD1-CD2 3.85Å; L338-L362 HydrophobicContact CD1-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD1 4.17Å |
| 339 | G | 92.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.8 | -173.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W326 S337 | W326-G339 PolarHBondContact N-O 3.36Å; S337-G339 PolarHBondContact OG-N 2.03Å |
| 340 | S | 90.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 84.1 Ų | 84.1 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | trans | -84 | -8.5 | -175.2 | -62.3 | 0 | 0 | 0 | 0 | 115.4 | L324 S358 | L324-S340 WeakPolarHBondContact O-CA 2.98Å; L324-S340 WeakPolarHBondContact O-CB 3Å; L324-S340 PolarHBondContact O-OG 3Å; S340-S358 PolarHBondContact O-OG 2.87Å | ||
| 341 | G | 91.7 | Very high | 90.7 | Very high | 39 Ų | 39 | 86.3 Ų | 86.3 | 40% | 0.402 | 48% | 0.476 | S | S | . | . | trans | 61.8 | -161.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R359 | G341-R359 CarbonylContact C-O 3.56Å; G341-R359 WeakPolarHBondContact CA-O 3.28Å | ||
| 342 | R | 95.8 | Very high | 91.6 | Very high | 156 Ų | 156 | 83 Ų | 83 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.1 | 174.9 | 178.7 | 172.7 | 54.6 | -167.8 | -9.4 | 110 | R359 | R342-R359 PolarHBondContact N-O 2.93Å; R342-R359 PolarHBondContact O-N 2.8Å |
| 343 | M | 95.4 | Very high | 92.6 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 148.2 | 179 | -59.4 | -63 | -74.1 | 0 | 0 | 112.3 | L324 Q356 S357 | L324-M343 HydrophobicContact CB-CE 3.89Å; L324-M343 HydrophobicContact CB-SD 4.01Å; L324-M343 HydrophobicContact CD1-CE 3.91Å; L324-M343 HydrophobicContact CD1-SD 4.41Å; L324-M343 HydrophobicContact CG-CE 4.01Å; M343-Q356 VanDerWaalsContact CE-CD 3.47Å; M343-Q356 HydrophobicContact CE-CG 4Å; M343-S357 CarbonylContact C-O 3.56Å; M343-S357 WeakPolarHBondContact CA-O 3.38Å |
| 344 | S | 95.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 78.1 Ų | 78.1 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 162.4 | 160.8 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | Q356 S357 | S344-Q356 WeakPolarHBondContact O-CG 3.33Å; S344-Q356 PolarHBondContact O-NE2 2.85Å; S344-S357 VanDerWaalsContact CB-OG 3.29Å; S344-S357 WeakPolarHBondContact CB-OG 3.41Å; S344-S357 PolarHBondContact N-O 2.82Å; S344-S357 PolarHBondContact OG-N 2.95Å; S344-S357 PolarHBondContact OG-O 2.87Å; S344-S357 PolarHBondContact OG-OG 2.59Å |
| 345 | G | 94.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -61 | 162.9 | 159 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 346 | H | 95.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 144.7 | 174 | -51.2 | -65.6 | 0 | 0 | 0 | 110.6 | L320 Q356 | L320-H346 VanDerWaalsContact CD2-CE1 3.44Å; L320-H346 WeakPolarHBondContact CD2-CE1 3.19Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.47Å; H346-Q356 PolarHBondContact CE1-NE2 3.11Å; H346-Q356 VanDerWaalsContact CE1-NE2 3.29Å; H346-Q356 PolarHBondContact CE1-OE1 3.47Å; H346-Q356 PolarHBondContact ND1-OE1 3.04Å |
| 347 | R | 95.9 | Very high | 94.9 | Very high | 142 Ų | 142 | 65.4 Ų | 65.4 | 54% | 0.536 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.8 | 167.6 | -59.9 | 169 | 178.2 | 171.6 | -5 | 107.3 | F354 S355 | R347-F354 CarbonylContact O-C 3.51Å; R347-F354 VanDerWaalsContact O-CA 3.3Å; R347-F354 WeakPolarHBondContact O-CA 3.4Å; R347-S355 PolarHBondContact N-O 3.07Å; R347-S355 PolarHBondContact O-N 2.88Å |
| 348 | Q | 96.9 | Very high | 95.1 | Very high | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.2 | 178.4 | -161.2 | 174.6 | 14.9 | 0 | 0 | 110 | G352 T353 F354 | Q348-G352 PolarHBondContact NE2-O 2.85Å; Q348-T353 CarbonylContact C-O 3.58Å; Q348-T353 WeakPolarHBondContact CA-O 3.36Å; Q348-T353 WeakPolarHBondContact CG-O 3.5Å; Q348-F354 HydrophobicContact CB-CD1 4.12Å; Q348-F354 HydrophobicContact CB-CE1 4.05Å; Q348-F354 HydrophobicContact CG-CD1 4.01Å; Q348-F354 HydrophobicContact CG-CE1 3.73Å; Q348-F354 HydrophobicContact CG-CZ 4.27Å |
| 349 | A | 95.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -88 | 169.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D351 G352 T353 | A349-D351 VanDerWaalsContact C-N 3.26Å; A349-D351 WeakPolarHBondContact CB-OD1 3.36Å; A349-D351 PolarHBondContact O-N 2.92Å; A349-G352 WeakPolarHBondContact O-CA 3.39Å; A349-G352 PolarHBondContact O-N 3.12Å; A349-T353 PolarHBondContact N-O 2.72Å | ||
| 350 | W | 93.7 | Very high | 95.6 | Very high | 246 Ų | 246 | 61.8 Ų | 61.8 | 93% | 0.932 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.3 | -176 | 67.4 | -90.4 | 0 | 0 | 0 | 113.6 | G352 | W350-G352 PolarHBondContact O-N 3.24Š|
| 351 | D | 93.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.3 | 173 | 56.9 | 16.7 | 0 | 0 | 0 | 112.9 | V261 A349 T353 | V261-D351 WeakPolarHBondContact CG2-O 3.32Å; A349-D351 VanDerWaalsContact C-N 3.26Å; A349-D351 WeakPolarHBondContact CB-OD1 3.36Å; A349-D351 PolarHBondContact O-N 2.92Å; D351-T353 VanDerWaalsContact OD1-CB 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3Å; D351-T353 WeakPolarHBondContact OD1-CG2 3.35Å; D351-T353 PolarHBondContact OD1-N 2.84Å; D351-T353 PolarHBondContact OD1-OG1 2.91Å; D351-T353 PolarHBondContact OD2-OG1 3.21Å |
| 352 | G | 94.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 88.9 | -5.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q348 A349 W350 | Q348-G352 PolarHBondContact NE2-O 2.85Å; A349-G352 WeakPolarHBondContact O-CA 3.39Å; A349-G352 PolarHBondContact O-N 3.12Å; W350-G352 PolarHBondContact O-N 3.24Å |
| 353 | T | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -70.1 | 158.9 | 177.9 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | L183 V261 Q348 A349 D351 | L183-T353 HydrophobicContact CD2-CG2 3.91Å; V261-T353 HydrophobicContact CG2-CG2 3.88Å; Q348-T353 CarbonylContact C-O 3.58Å; Q348-T353 WeakPolarHBondContact CA-O 3.36Å; Q348-T353 WeakPolarHBondContact CG-O 3.5Å; A349-T353 PolarHBondContact N-O 2.72Å; D351-T353 VanDerWaalsContact OD1-CB 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3Å; D351-T353 WeakPolarHBondContact OD1-CG2 3.35Å; D351-T353 PolarHBondContact OD1-N 2.84Å; D351-T353 PolarHBondContact OD1-OG1 2.91Å; D351-T353 PolarHBondContact OD2-OG1 3.21Å | ||
| 354 | F | 97.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 153.4 | -177.9 | -61.4 | -79.4 | 0 | 0 | 0 | 112.2 | G316 F317 L320 R347 Q348 | G316-F354 PolarHBondContact N-O 3.39Å; F317-F354 HydrophobicContact CD1-CB 4.49Å; F317-F354 WeakPolarHBondContact CD1-O 3.28Å; F317-F354 HydrophobicContact CD2-CB 4.22Å; F317-F354 HydrophobicContact CE1-CB 4.11Å; F317-F354 WeakPolarHBondContact CE1-O 3.32Å; F317-F354 HydrophobicContact CE2-CB 3.81Å; F317-F354 HydrophobicContact CZ-CB 3.76Å; F317-F354 PolarHBondContact N-O 3.36Å; F317-F354 VanDerWaalsContact N-O 3.1Å; F317-F354 PolarHBondContact O-N 2.96Å; L320-F354 HydrophobicContact CD1-CD1 3.86Å; L320-F354 HydrophobicContact CD1-CD2 4.16Å; L320-F354 HydrophobicContact CD1-CE1 3.71Å; L320-F354 HydrophobicContact CD1-CE2 4.02Å; L320-F354 HydrophobicContact CD1-CG 4.08Å; L320-F354 HydrophobicContact CD1-CZ 3.79Å; L320-F354 HydrophobicContact CD2-CG 4.33Å; L320-F354 HydrophobicContact CG-CD1 4.27Å; L320-F354 HydrophobicContact CG-CD2 3.86Å; L320-F354 HydrophobicContact CG-CE1 4.45Å; L320-F354 HydrophobicContact CG-CE2 4.05Å; L320-F354 HydrophobicContact CG-CG 3.97Å; L320-F354 HydrophobicContact CG-CZ 4.34Å; R347-F354 CarbonylContact O-C 3.51Å; R347-F354 VanDerWaalsContact O-CA 3.3Å; R347-F354 WeakPolarHBondContact O-CA 3.4Å; Q348-F354 HydrophobicContact CB-CD1 4.12Å; Q348-F354 HydrophobicContact CB-CE1 4.05Å; Q348-F354 HydrophobicContact CG-CD1 4.01Å; Q348-F354 HydrophobicContact CG-CE1 3.73Å; Q348-F354 HydrophobicContact CG-CZ 4.27Å |
| 355 | S | 97.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.3 | 163 | 63 | 0 | 0 | 0 | 0 | 111.6 | A314 R347 | A314-S355 CarbonylContact O-C 3.56Å; A314-S355 WeakPolarHBondContact O-CA 3.45Å; A314-S355 VanDerWaalsContact O-CB 3.32Å; A314-S355 WeakPolarHBondContact O-CB 3.33Å; R347-S355 PolarHBondContact N-O 3.07Å; R347-S355 PolarHBondContact O-N 2.88Å |
| 356 | Q | 97.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 148.7 | 178.5 | -165.8 | 172.9 | 22.9 | 0 | 0 | 109.4 | A314 F317 M343 S344 H346 | A314-Q356 PolarHBondContact N-O 2.86Å; A314-Q356 PolarHBondContact O-N 3.01Å; F317-Q356 HydrophobicContact CE1-CB 4.26Å; F317-Q356 HydrophobicContact CZ-CB 4.25Å; M343-Q356 VanDerWaalsContact CE-CD 3.47Å; M343-Q356 HydrophobicContact CE-CG 4Å; S344-Q356 WeakPolarHBondContact O-CG 3.33Å; S344-Q356 PolarHBondContact O-NE2 2.85Å; H346-Q356 PolarHBondContact CE1-NE2 3.11Å; H346-Q356 VanDerWaalsContact CE1-NE2 3.29Å; H346-Q356 PolarHBondContact CE1-OE1 3.47Å; H346-Q356 PolarHBondContact ND1-OE1 3.04Å |
| 357 | S | 97.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.9 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | C312 M343 S344 | C312-S357 CarbonylContact O-C 3.55Å; C312-S357 WeakPolarHBondContact O-CA 3.27Å; C312-S357 VanDerWaalsContact O-CB 3.32Å; C312-S357 WeakPolarHBondContact O-CB 3.13Å; M343-S357 CarbonylContact C-O 3.56Å; M343-S357 WeakPolarHBondContact CA-O 3.38Å; S344-S357 VanDerWaalsContact CB-OG 3.29Å; S344-S357 WeakPolarHBondContact CB-OG 3.41Å; S344-S357 PolarHBondContact N-O 2.82Å; S344-S357 PolarHBondContact OG-N 2.95Å; S344-S357 PolarHBondContact OG-O 2.87Å; S344-S357 PolarHBondContact OG-OG 2.59Å |
| 358 | S | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.2 | 167.2 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | Q311 C312 W326 S340 | Q311-S358 CarbonylContact C-O 3.51Å; Q311-S358 WeakPolarHBondContact CA-O 3.25Å; C312-S358 PolarHBondContact N-O 3.03Å; C312-S358 PolarHBondContact O-N 2.87Å; W326-S358 PolarHBondContact NE1-OG 3.31Å; S340-S358 PolarHBondContact O-OG 2.87Å |
| 359 | R | 97.4 | Very high | 89 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.2 | 170.3 | -65.7 | -170.9 | -177.2 | 89.1 | 8 | 110.9 | L310 Q311 G341 R342 | L310-R359 CarbonylContact O-C 3.58Å; L310-R359 VanDerWaalsContact O-CA 3.27Å; L310-R359 WeakPolarHBondContact O-CA 3.47Å; Q311-R359 HydrophobicContact CB-CG 4.2Å; Q311-R359 HydrophobicContact CG-CG 4.07Å; G341-R359 CarbonylContact C-O 3.56Å; G341-R359 WeakPolarHBondContact CA-O 3.28Å; R342-R359 PolarHBondContact N-O 2.93Å; R342-R359 PolarHBondContact O-N 2.8Å |
| 360 | L | 96.1 | Very high | 87.7 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.1 | 177.8 | 178.4 | 70.7 | 0 | 0 | 0 | 109.9 | L310 W326 L338 L362 | L310-L360 HydrophobicContact CB-CB 4.5Å; L310-L360 PolarHBondContact N-O 3.07Å; L310-L360 PolarHBondContact O-N 2.89Å; W326-L360 HydrophobicContact CB-CD2 3.94Å; W326-L360 HydrophobicContact CD2-CB 4.17Å; W326-L360 HydrophobicContact CD2-CD2 3.93Å; W326-L360 HydrophobicContact CE3-CD2 4.33Å; W326-L360 HydrophobicContact CG-CB 4.28Å; W326-L360 HydrophobicContact CG-CD2 3.8Å; W326-L360 HydrophobicContact CZ2-CB 4.12Å; L338-L360 HydrophobicContact CB-CD2 4.16Å; L338-L360 HydrophobicContact CD1-CD2 3.85Å; L360-L362 HydrophobicContact CD2-CB 4.41Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å |
| 361 | D | 93.9 | Very high | 86.3 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 95.3 | 170 | -65.8 | -51 | 0 | 0 | 0 | 108.5 | T307 N309 D363 | T307-D361 HydrophobicContact CG2-CB 3.95Å; N309-D361 PolarHBondContact ND2-OD1 2.82Å; D361-D363 PolarHBondContact O-N 3.26Å |
| 362 | L | 90.6 | Very high | 85.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 97.6 | -173.7 | -172.2 | 73.7 | 0 | 0 | 0 | 111 | T307 L308 L310 L338 L360 T364 L367 V375 L392 | T307-L362 WeakPolarHBondContact CA-O 3.29Å; L308-L362 HydrophobicContact CB-CB 4.41Å; L308-L362 PolarHBondContact N-O 3.38Å; L308-L362 PolarHBondContact O-N 2.88Å; L310-L362 HydrophobicContact CD1-CB 4.32Å; L310-L362 HydrophobicContact CD1-CD2 3.98Å; L338-L362 HydrophobicContact CD1-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD1 4.17Å; L360-L362 HydrophobicContact CD2-CB 4.41Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å; L362-T364 PolarHBondContact O-N 2.86Å; L362-L367 HydrophobicContact CD1-CD1 3.74Å; L362-L367 HydrophobicContact CD1-CD2 3.94Å; L362-L367 HydrophobicContact CD1-CG 4.46Å; L362-L367 HydrophobicContact CD2-CD2 4.33Å; L362-L367 HydrophobicContact CG-CD1 4.02Å; L362-L367 HydrophobicContact CG-CD2 4.35Å; L362-V375 HydrophobicContact CD2-CG2 3.88Å; L362-L392 HydrophobicContact CD2-CD2 3.91Å |
| 363 | D | 87.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 104 | 176.3 | 172.4 | -0.8 | 0 | 0 | 0 | 111.4 | D361 S365 K366 L367 | D361-D363 PolarHBondContact O-N 3.26Å; D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 PolarHBondContact O-N 2.84Å; D363-S365 WeakPolarHBondContact OD1-CB 3.39Å; D363-S365 PolarHBondContact OD1-N 3.41Å; D363-S365 PolarHBondContact OD1-OG 2.95Å; D363-S365 PolarHBondContact OD2-OG 2.84Å; D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 PolarHBondContact O-N 3.35Å; D363-K366 VanDerWaalsContact O-N 3.11Å; D363-K366 WeakPolarHBondContact OD2-CD 3.38Å; D363-K366 VanDerWaalsContact OD2-CE 3.25Å; D363-K366 WeakPolarHBondContact OD2-CE 3.33Å; D363-K366 IonicContact OD2-NZ 3.47Å; D363-K366 PolarHBondContact OD2-NZ 2.81Å; D363-L367 WeakPolarHBondContact O-CD1 3.46Å |
| 364 | T | 82.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.1 | -17.6 | -174.1 | 63 | 0 | 0 | 0 | 0 | 114.4 | A302 V303 G305 Q306 L362 K366 L367 L369 | A302-T364 HydrophobicContact CB-CG2 4.08Å; V303-T364 PolarHBondContact O-OG1 3.28Å; G305-T364 PolarHBondContact N-OG1 2.74Å; Q306-T364 PolarHBondContact N-OG1 2.88Å; Q306-T364 WeakPolarHBondContact O-CB 3.43Å; Q306-T364 WeakPolarHBondContact O-CG2 3.21Å; Q306-T364 PolarHBondContact O-N 3.04Å; Q306-T364 PolarHBondContact O-OG1 3.25Å; L362-T364 PolarHBondContact O-N 2.86Å; T364-K366 VanDerWaalsContact C-N 3.31Å; T364-K366 PolarHBondContact O-N 3.23Å; T364-L367 PolarHBondContact O-N 3.26Å; T364-L369 HydrophobicContact CG2-CD1 4.04Å; T364-L369 VanDerWaalsContact O-CD1 3.29Å; T364-L369 WeakPolarHBondContact O-CD1 3.46Å |
| 365 | S | 75.7 | Confident | 84.9 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -70.2 | -26.4 | 176.3 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | D363 L367 | D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 PolarHBondContact O-N 2.84Å; D363-S365 WeakPolarHBondContact OD1-CB 3.39Å; D363-S365 PolarHBondContact OD1-N 3.41Å; D363-S365 PolarHBondContact OD1-OG 2.95Å; D363-S365 PolarHBondContact OD2-OG 2.84Å; S365-L367 VanDerWaalsContact C-N 3.28Å |
| 366 | K | 75.1 | Confident | 84.9 | Confident | 160 Ų | 160 | 51.1 Ų | 51.1 | 70% | 0.696 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -88.3 | 3.4 | 179.9 | -64.3 | 176.3 | 179.5 | 124.6 | 0 | 113.1 | D363 T364 | D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 PolarHBondContact O-N 3.35Å; D363-K366 VanDerWaalsContact O-N 3.11Å; D363-K366 WeakPolarHBondContact OD2-CD 3.38Å; D363-K366 VanDerWaalsContact OD2-CE 3.25Å; D363-K366 WeakPolarHBondContact OD2-CE 3.33Å; D363-K366 IonicContact OD2-NZ 3.47Å; D363-K366 PolarHBondContact OD2-NZ 2.81Å; T364-K366 VanDerWaalsContact C-N 3.31Å; T364-K366 PolarHBondContact O-N 3.23Å |
| 367 | L | 73 | Confident | 84.9 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -110.3 | 123.9 | 179.2 | -73.6 | 89.2 | 0 | 0 | 0 | 108.7 | F328 R336 L362 D363 T364 S365 L369 L392 | F328-L367 HydrophobicContact CB-CD2 4.46Å; F328-L367 HydrophobicContact CD1-CD2 4.18Å; F328-L367 HydrophobicContact CD2-CD2 3.64Å; F328-L367 HydrophobicContact CE1-CD2 4.29Å; F328-L367 HydrophobicContact CE2-CD2 3.79Å; F328-L367 HydrophobicContact CG-CD2 3.82Å; F328-L367 HydrophobicContact CZ-CD2 4.1Å; R336-L367 VanDerWaalsContact NH2-CB 3.26Å; R336-L367 VanDerWaalsContact NH2-CD2 3.27Å; L362-L367 HydrophobicContact CD1-CD1 3.74Å; L362-L367 HydrophobicContact CD1-CD2 3.94Å; L362-L367 HydrophobicContact CD1-CG 4.46Å; L362-L367 HydrophobicContact CD2-CD2 4.33Å; L362-L367 HydrophobicContact CG-CD1 4.02Å; L362-L367 HydrophobicContact CG-CD2 4.35Å; D363-L367 WeakPolarHBondContact O-CD1 3.46Å; T364-L367 PolarHBondContact O-N 3.26Å; S365-L367 VanDerWaalsContact C-N 3.28Å; L367-L369 HydrophobicContact CB-CD1 4.01Å; L367-L369 HydrophobicContact CB-CD2 3.64Å; L367-L369 HydrophobicContact CB-CG 3.49Å; L367-L369 VanDerWaalsContact CB-CG 3.49Å; L367-L369 HydrophobicContact CD2-CD2 3.86Å; L367-L369 HydrophobicContact CG-CD2 4.35Å; L367-L369 WeakPolarHBondContact O-CG 3.3Å; L367-L369 PolarHBondContact O-N 2.84Å; L367-L392 HydrophobicContact CD2-CD2 4.49Å |
| 368 | D | 68.1 | Low | 84.9 | Confident | 159 Ų | 159 | 50.6 Ų | 50.6 | 85% | 0.85 | 27% | 0.268 | S | S | * | . | trans | -68.5 | 79.9 | 163.1 | -82 | -38.7 | 0 | 0 | 0 | 108.8 | ||||
| 369 | L | 65.9 | Low | 84.9 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | trans | -79.3 | -30.3 | -168.3 | -73.2 | 164.1 | 0 | 0 | 0 | 113.5 | F328 T364 L367 R371 G372 L392 V394 | F328-L369 HydrophobicContact CE2-CD2 3.98Å; F328-L369 HydrophobicContact CZ-CD2 3.83Å; T364-L369 HydrophobicContact CG2-CD1 4.04Å; T364-L369 VanDerWaalsContact O-CD1 3.29Å; T364-L369 WeakPolarHBondContact O-CD1 3.46Å; L367-L369 HydrophobicContact CB-CD1 4.01Å; L367-L369 HydrophobicContact CB-CD2 3.64Å; L367-L369 HydrophobicContact CB-CG 3.49Å; L367-L369 VanDerWaalsContact CB-CG 3.49Å; L367-L369 HydrophobicContact CD2-CD2 3.86Å; L367-L369 HydrophobicContact CG-CD2 4.35Å; L367-L369 WeakPolarHBondContact O-CG 3.3Å; L367-L369 PolarHBondContact O-N 2.84Å; L369-R371 PolarHBondContact O-N 2.89Å; L369-G372 CarbonylContact O-C 3.54Å; L369-G372 PolarHBondContact O-N 2.95Å; L369-L392 HydrophobicContact CD2-CD2 3.57Å; L369-L392 HydrophobicContact CD2-CG 4.44Å; L369-V394 HydrophobicContact CB-CG2 3.91Å; L369-V394 HydrophobicContact CD1-CG2 3.83Å; L369-V394 HydrophobicContact CD2-CG2 4.17Å; L369-V394 HydrophobicContact CG-CG2 4.15Å | ||
| 370 | G | 69.3 | Low | 84.9 | Confident | 74 Ų | 74 | 50 Ų | 50 | 76% | 0.763 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -107.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 371 | R | 64.8 | Low | 85 | Confident | 233 Ų | 233 | 50 Ų | 50 | 88% | 0.879 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -8.4 | 175.6 | -65.8 | -176.4 | 178.1 | 178.6 | -0.9 | 114.3 | L369 | L369-R371 PolarHBondContact O-N 2.89Š|
| 372 | G | 79.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.4 | -172.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L369 L392 | L369-G372 CarbonylContact O-C 3.54Å; L369-G372 PolarHBondContact O-N 2.95Å; G372-L392 CarbonylContact C-O 3.4Å; G372-L392 WeakPolarHBondContact CA-O 3.49Å |
| 373 | G | 87.9 | Confident | 85.2 | Confident | 19 Ų | 19 | 50 Ų | 50 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | -166 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K329 L392 | K329-G373 WeakPolarHBondContact O-CA 3.35Å; G373-L392 PolarHBondContact N-O 3.38Å; G373-L392 PolarHBondContact O-N 3.14Å |
| 374 | E | 92.1 | Very high | 85.6 | Confident | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.6 | 179.4 | -176 | 179.1 | -141 | 0 | 0 | 109.3 | F328 K329 S389 | F328-E374 CarbonylContact C-O 3.59Å; F328-E374 WeakPolarHBondContact CA-O 3.4Å; F328-E374 WeakPolarHBondContact CD2-O 3.29Å; K329-E374 HydrophobicContact CB-CB 4.37Å; K329-E374 PolarHBondContact N-O 2.81Å; K329-E374 PolarHBondContact O-N 2.81Å; E374-S389 WeakPolarHBondContact OE1-CB 3.48Å; E374-S389 PolarHBondContact OE1-OG 3.18Å; E374-S389 VanDerWaalsContact OE1-OG 3.07Å |
| 375 | V | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.8 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | L310 W326 F328 L362 S389 V390 L392 | L310-V375 HydrophobicContact CD1-CB 4.41Å; L310-V375 HydrophobicContact CD1-CG1 3.79Å; L310-V375 HydrophobicContact CD1-CG2 4.34Å; W326-V375 HydrophobicContact CE3-CG1 3.64Å; W326-V375 HydrophobicContact CZ3-CG1 3.82Å; F328-V375 HydrophobicContact CD2-CG2 3.93Å; L362-V375 HydrophobicContact CD2-CG2 3.88Å; V375-S389 CarbonylContact O-C 3.55Å; V375-S389 WeakPolarHBondContact O-CA 3.24Å; V375-V390 HydrophobicContact CB-CG1 4.28Å; V375-V390 PolarHBondContact N-O 2.92Å; V375-V390 PolarHBondContact O-N 2.94Å; V375-L392 HydrophobicContact CG2-CB 4.34Å; V375-L392 HydrophobicContact CG2-CD2 4.34Å |
| 376 | T | 96.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 110.1 | W326 E327 V378 R387 A388 S389 | W326-T376 CarbonylContact C-O 3.47Å; W326-T376 WeakPolarHBondContact CA-O 3.39Å; E327-T376 PolarHBondContact N-O 3.45Å; E327-T376 PolarHBondContact O-N 2.92Å; T376-V378 HydrophobicContact CG2-CG2 4.05Å; T376-R387 HydrophobicContact CG2-CB 4.17Å; T376-A388 CarbonylContact C-O 3.57Å; T376-A388 VanDerWaalsContact CA-O 3.28Å; T376-A388 WeakPolarHBondContact CA-O 3.34Å; T376-A388 WeakPolarHBondContact CG2-O 3.31Å; T376-S389 PolarHBondContact OG1-OG 3.23Å |
| 377 | C | 97.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.7 | 163.8 | 179.7 | 0 | 0 | 0 | 0 | 109 | I294 C312 W326 R387 A388 | I294-C377 HydrophobicContact CD1-CB 3.86Å; I294-C377 HydrophobicContact CG1-CB 4.01Å; C312-C377 HydrophobicContact CB-CB 3.6Å; C312-C377 WeakPolarHBondContact CB-SG 3.04Å; C312-C377 WeakPolarHBondContact SG-CB 3.39Å; C312-C377 CovalentContact SG-SG 2.03Å; C312-C377 PolarHBondContact SG-SG 3.41Å; W326-C377 HydrophobicContact CD2-CB 4.48Å; W326-C377 HydrophobicContact CE3-CB 4.06Å; W326-C377 HydrophobicContact CH2-CB 4.48Å; W326-C377 HydrophobicContact CZ3-CB 4.05Å; C377-R387 WeakPolarHBondContact O-CA 3.35Å; C377-A388 PolarHBondContact N-O 3.21Å; C377-A388 PolarHBondContact O-N 3.07Å |
| 378 | V | 97.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.1 | -179.1 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | L324 S325 E327 T376 V380 T385 R387 | L324-V378 WeakPolarHBondContact CA-O 3.39Å; S325-V378 PolarHBondContact N-O 2.78Å; S325-V378 PolarHBondContact O-N 3Å; E327-V378 HydrophobicContact CG-CG2 3.98Å; T376-V378 HydrophobicContact CG2-CG2 4.05Å; V378-V380 HydrophobicContact CG1-CG2 4.49Å; V378-T385 HydrophobicContact CG1-CG2 3.69Å; V378-R387 HydrophobicContact CG1-CG 4.17Å; V378-R387 HydrophobicContact CG2-CG 4.18Å |
| 379 | A | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.8 | 180 | 0 | 0 | 0 | 0 | 0 | 109.7 | P290 L292 L322 E323 L324 T385 R386 | P290-A379 HydrophobicContact CG-CB 4Å; L292-A379 HydrophobicContact CD1-CB 3.79Å; L292-A379 HydrophobicContact CD2-CB 3.71Å; L292-A379 HydrophobicContact CG-CB 4.24Å; L322-A379 HydrophobicContact CD1-CB 4.17Å; E323-A379 CarbonylContact O-C 3.49Å; E323-A379 WeakPolarHBondContact O-CA 2.99Å; L324-A379 HydrophobicContact CD2-CB 3.47Å; L324-A379 VanDerWaalsContact CD2-CB 3.47Å; A379-T385 CarbonylContact O-C 3.47Å; A379-T385 WeakPolarHBondContact O-CA 3.35Å; A379-R386 HydrophobicContact CB-CB 4.46Å; A379-R386 PolarHBondContact N-O 2.94Å; A379-R386 PolarHBondContact O-N 3.04Å |
| 380 | V | 97.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.8 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L322 E323 V378 T385 | L322-V380 WeakPolarHBondContact CD1-O 3.41Å; E323-V380 HydrophobicContact CB-CB 4.29Å; E323-V380 PolarHBondContact N-O 3.39Å; E323-V380 PolarHBondContact O-N 3.4Å; V378-V380 HydrophobicContact CG1-CG2 4.49Å; V380-T385 HydrophobicContact CG2-CG2 4.22Å |
| 381 | H | 97.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.3 | -172.4 | -174.3 | -111.9 | 0 | 0 | 0 | 111.1 | E288 A318 P319 L322 G383 G384 | E288-H381 PolarHBondContact O-CE1 2.73Å; A318-H381 PolarHBondContact O-CE1 2.68Å; A318-H381 PolarHBondContact O-NE2 3.21Å; P319-H381 PolarHBondContact O-NE2 2.79Å; L322-H381 HydrophobicContact CD1-CB 3.57Å; H381-G383 PolarHBondContact ND1-N 3.47Å; H381-G383 PolarHBondContact O-N 2.87Å; H381-G384 WeakPolarHBondContact CB-O 3.49Å; H381-G384 PolarHBondContact N-O 3.26Å; H381-G384 PolarHBondContact O-N 3.36Å |
| 382 | A | 95.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 52% | 0.521 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V287 G384 | V287-A382 HydrophobicContact CG1-CB 4.07Å; A382-G384 PolarHBondContact O-N 2.97Å |
| 383 | G | 93.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 9.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V287 H381 | V287-G383 VanDerWaalsContact CG1-CA 3.42Å; V287-G383 VanDerWaalsContact CG1-N 3.29Å; H381-G383 PolarHBondContact ND1-N 3.47Å; H381-G383 PolarHBondContact O-N 2.87Å |
| 384 | G | 96.1 | Very high | 94.6 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.6 | -177.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H381 A382 | H381-G384 WeakPolarHBondContact CB-O 3.49Å; H381-G384 PolarHBondContact N-O 3.26Å; H381-G384 PolarHBondContact O-N 3.36Å; A382-G384 PolarHBondContact O-N 2.97Å |
| 385 | T | 97.5 | Very high | 93.8 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 47% | 0.466 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.4 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | V378 A379 V380 R387 | V378-T385 HydrophobicContact CG1-CG2 3.69Å; A379-T385 CarbonylContact O-C 3.47Å; A379-T385 WeakPolarHBondContact O-CA 3.35Å; V380-T385 HydrophobicContact CG2-CG2 4.22Å; T385-R387 HydrophobicContact CG2-CG 4.39Å |
| 386 | R | 97.9 | Very high | 92.2 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 42% | 0.415 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.2 | 171.4 | -63.9 | -63.9 | -165.1 | 158.4 | 8.1 | 110.2 | P289 P290 L292 A379 | P289-R386 HydrophobicContact CB-CG 4.3Å; P290-R386 HydrophobicContact CG-CB 4.38Å; P290-R386 HydrophobicContact CG-CG 4.22Å; L292-R386 HydrophobicContact CD1-CB 3.81Å; L292-R386 HydrophobicContact CG-CB 4.16Å; A379-R386 HydrophobicContact CB-CB 4.46Å; A379-R386 PolarHBondContact N-O 2.94Å; A379-R386 PolarHBondContact O-N 3.04Å |
| 387 | R | 97.6 | Very high | 90.1 | Very high | 138 Ų | 138 | 55.9 Ų | 55.9 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136 | -179 | -65.1 | -179.7 | 169.8 | -103.7 | -8.6 | 109.4 | E327 T376 C377 V378 T385 | E327-R387 IonicContact OE1-CZ 3.88Å; E327-R387 IonicContact OE1-NH1 2.68Å; E327-R387 PolarHBondContact OE1-NH1 3.4Å; E327-R387 VanDerWaalsContact OE1-NH1 3.12Å; E327-R387 IonicContact OE1-NH2 2.98Å; E327-R387 PolarHBondContact OE1-NH2 3.35Å; E327-R387 IonicContact OE2-CZ 2.92Å; E327-R387 IonicContact OE2-NH1 2.74Å; E327-R387 PolarHBondContact OE2-NH1 3.35Å; E327-R387 IonicContact OE2-NH2 3.12Å; T376-R387 HydrophobicContact CG2-CB 4.17Å; C377-R387 WeakPolarHBondContact O-CA 3.35Å; V378-R387 HydrophobicContact CG1-CG 4.17Å; V378-R387 HydrophobicContact CG2-CG 4.18Å; T385-R387 HydrophobicContact CG2-CG 4.39Å |
| 388 | A | 97.3 | Very high | 87.8 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L292 I294 T376 C377 | L292-A388 HydrophobicContact CB-CB 3.66Å; L292-A388 HydrophobicContact CD1-CB 4.29Å; I294-A388 HydrophobicContact CD1-CB 4.22Å; I294-A388 VanDerWaalsContact CD1-O 3.27Å; I294-A388 WeakPolarHBondContact CD1-O 3.12Å; I294-A388 HydrophobicContact CG1-CB 4.35Å; T376-A388 CarbonylContact C-O 3.57Å; T376-A388 VanDerWaalsContact CA-O 3.28Å; T376-A388 WeakPolarHBondContact CA-O 3.34Å; T376-A388 WeakPolarHBondContact CG2-O 3.31Å; C377-A388 PolarHBondContact N-O 3.21Å; C377-A388 PolarHBondContact O-N 3.07Å |
| 389 | S | 96.1 | Very high | 85.8 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.6 | -177.1 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E374 V375 T376 | E374-S389 WeakPolarHBondContact OE1-CB 3.48Å; E374-S389 PolarHBondContact OE1-OG 3.18Å; E374-S389 VanDerWaalsContact OE1-OG 3.07Å; V375-S389 CarbonylContact O-C 3.55Å; V375-S389 WeakPolarHBondContact O-CA 3.24Å; T376-S389 PolarHBondContact OG1-OG 3.23Å |
| 390 | V | 94.9 | Very high | 83.9 | Confident | 10 Ų | 10 | 69 Ų | 69 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.9 | 170.4 | 70 | 0 | 0 | 0 | 0 | 110.4 | I294 L299 V375 | I294-V390 HydrophobicContact CB-CG1 4.44Å; I294-V390 HydrophobicContact CD1-CG1 4.22Å; I294-V390 HydrophobicContact CG2-CB 4.47Å; I294-V390 HydrophobicContact CG2-CG1 3.8Å; L299-V390 HydrophobicContact CD1-CG1 3.7Å; L299-V390 HydrophobicContact CD2-CG1 4.13Å; L299-V390 HydrophobicContact CG-CB 4.44Å; L299-V390 HydrophobicContact CG-CG1 3.75Å; L299-V390 HydrophobicContact CG-CG2 3.83Å; V375-V390 HydrophobicContact CB-CG1 4.28Å; V375-V390 PolarHBondContact N-O 2.92Å; V375-V390 PolarHBondContact O-N 2.94Å |
| 391 | T | 92.4 | Very high | 82.3 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.1 | -179.9 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 392 | L | 89.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.1 | 176.4 | 177.7 | 65 | 0 | 0 | 0 | 108.9 | L299 A302 L308 F328 L362 L367 L369 G372 G373 V375 | L299-L392 HydrophobicContact CD1-CB 4.05Å; L299-L392 HydrophobicContact CD1-CD1 3.89Å; A302-L392 HydrophobicContact CB-CD1 3.76Å; L308-L392 HydrophobicContact CD1-CD1 3.49Å; L308-L392 VanDerWaalsContact CD1-CD1 3.49Å; F328-L392 HydrophobicContact CE2-CD2 4.12Å; L362-L392 HydrophobicContact CD2-CD2 3.91Å; L367-L392 HydrophobicContact CD2-CD2 4.49Å; L369-L392 HydrophobicContact CD2-CD2 3.57Å; L369-L392 HydrophobicContact CD2-CG 4.44Å; G372-L392 CarbonylContact C-O 3.4Å; G372-L392 WeakPolarHBondContact CA-O 3.49Å; G373-L392 PolarHBondContact N-O 3.38Å; G373-L392 PolarHBondContact O-N 3.14Å; V375-L392 HydrophobicContact CG2-CB 4.34Å; V375-L392 HydrophobicContact CG2-CD2 4.34Å |
| 393 | N | 86.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 48% | 0.476 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.7 | 177.4 | -66.5 | -32.4 | 0 | 0 | 0 | 110.2 | L301 A302 | L301-N393 HydrophobicContact CD2-CB 3.72Å; A302-N393 PolarHBondContact N-O 3.36Å |
| 394 | V | 81.1 | Confident | 78.6 | Confident | 24 Ų | 24 | 80.7 Ų | 80.7 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 136.3 | -174.6 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | A302 P304 L369 G396 | A302-V394 HydrophobicContact CB-CG2 4.29Å; A302-V394 CarbonylContact O-C 3.48Å; A302-V394 WeakPolarHBondContact O-CA 3.36Å; P304-V394 HydrophobicContact CG-CG1 3.99Å; L369-V394 HydrophobicContact CB-CG2 3.91Å; L369-V394 HydrophobicContact CD1-CG2 3.83Å; L369-V394 HydrophobicContact CD2-CG2 4.17Å; L369-V394 HydrophobicContact CG-CG2 4.15Å; V394-G396 PolarHBondContact O-N 3.04Å |
| 395 | I | 73.9 | Confident | 77.6 | Confident | 87 Ų | 87 | 81.5 Ų | 81.5 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | trans | -76.9 | 104.7 | 172.3 | -60.2 | 170.1 | 0 | 0 | 0 | 108 | L301 A302 V303 P304 | L301-I395 HydrophobicContact CB-CD1 3.88Å; L301-I395 HydrophobicContact CB-CG1 3.91Å; L301-I395 HydrophobicContact CD2-CG1 4.5Å; A302-I395 PolarHBondContact O-N 3.39Å; V303-I395 HydrophobicContact CG2-CD1 4.11Å; P304-I395 WeakPolarHBondContact CD-O 3.47Å | ||
| 396 | G | 60.9 | Low | 76.7 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 62% | 0.619 | 47% | 0.465 | S | S | * | . | trans | -131 | 127.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V394 S398 | V394-G396 PolarHBondContact O-N 3.04Å; G396-S398 PolarHBondContact O-N 2.86Å | ||
| 397 | F | 52.3 | Low | 75.9 | Confident | 209 Ų | 209 | 81.6 Ų | 81.6 | 92% | 0.917 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 124.5 | 154.6 | -75.4 | -90.2 | 0 | 0 | 0 | 106.9 | S399 | F397-S399 PolarHBondContact O-N 3.4Å; F397-S399 VanDerWaalsContact O-N 3.14Å |
| 398 | S | 49.8 | Very low | 75.3 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 69% | 0.685 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 119.4 | 167.3 | 47 | 0 | 0 | 0 | 0 | 108.4 | G396 | G396-S398 PolarHBondContact O-N 2.86Š|
| 399 | S | 55.7 | Low | 74.8 | Confident | 104 Ų | 104 | 85 Ų | 85 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 124.2 | 151.1 | 52.8 | 0 | 0 | 0 | 0 | 106.3 | F397 S401 | F397-S399 PolarHBondContact O-N 3.4Å; F397-S399 VanDerWaalsContact O-N 3.14Å; S399-S401 PolarHBondContact O-N 3.26Å |
| 400 | P | 56.9 | Low | 74.4 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -53 | 138.8 | -172 | 19.1 | -31.4 | 0 | 0 | 0 | 110 | D404 | P400-D404 HydrophobicContact CB-CB 3.8Š|
| 401 | S | 65.4 | Low | 74.2 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 157.2 | 174 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | S399 E403 D404 S405 | S399-S401 PolarHBondContact O-N 3.26Å; S401-E403 PolarHBondContact O-N 3.46Å; S401-E403 PolarHBondContact OG-N 2.8Å; S401-D404 WeakPolarHBondContact CB-OD2 3.32Å; S401-D404 PolarHBondContact N-OD2 3.42Å; S401-D404 PolarHBondContact O-N 3.44Å; S401-D404 VanDerWaalsContact O-N 3.11Å; S401-S405 WeakPolarHBondContact O-CB 3.45Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 2.97Å |
| 402 | I | 66.3 | Low | 74.1 | Confident | 135 Ų | 135 | 86 Ų | 86 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.6 | -34.3 | 167.1 | -64.1 | 175.8 | 0 | 0 | 0 | 109 | S405 M406 | I402-S405 PolarHBondContact O-N 3.2Å; I402-M406 HydrophobicContact CG2-CG 4.41Å; I402-M406 HydrophobicContact CG2-SD 4.02Å; I402-M406 WeakPolarHBondContact O-CB 3.18Å; I402-M406 WeakPolarHBondContact O-CG 3.38Å; I402-M406 PolarHBondContact O-N 2.95Å |
| 403 | E | 70.7 | Confident | 74.3 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 70% | 0.696 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -44.3 | 173.3 | -64.7 | 177.9 | 137.9 | 0 | 0 | 113 | S401 S405 M406 A407 | S401-E403 PolarHBondContact O-N 3.46Å; S401-E403 PolarHBondContact OG-N 2.8Å; E403-S405 VanDerWaalsContact C-N 3.27Å; E403-S405 PolarHBondContact O-N 3.24Å; E403-M406 PolarHBondContact O-N 3.41Å; E403-A407 WeakPolarHBondContact O-CB 3.34Å; E403-A407 PolarHBondContact O-N 3.49Å |
| 404 | D | 72.6 | Confident | 74.5 | Confident | 84 Ų | 84 | 91.7 Ų | 91.7 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.9 | -59.1 | -40.1 | 0 | 0 | 0 | 111.1 | P400 S401 A407 M408 | P400-D404 HydrophobicContact CB-CB 3.8Å; S401-D404 WeakPolarHBondContact CB-OD2 3.32Å; S401-D404 PolarHBondContact N-OD2 3.42Å; S401-D404 PolarHBondContact O-N 3.44Å; S401-D404 VanDerWaalsContact O-N 3.11Å; D404-A407 PolarHBondContact O-N 2.86Å; D404-M408 WeakPolarHBondContact O-CB 3.34Å; D404-M408 VanDerWaalsContact O-CG 3.32Å; D404-M408 WeakPolarHBondContact O-CG 3.36Å; D404-M408 PolarHBondContact O-N 2.89Å |
| 405 | S | 75.4 | Confident | 75 | Confident | 50 Ų | 50 | 95.1 Ų | 95.1 | 35% | 0.35 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -42.6 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | S401 I402 E403 M408 V409 | S401-S405 WeakPolarHBondContact O-CB 3.45Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 2.97Å; I402-S405 PolarHBondContact O-N 3.2Å; E403-S405 VanDerWaalsContact C-N 3.27Å; E403-S405 PolarHBondContact O-N 3.24Å; S405-M408 PolarHBondContact O-N 2.86Å; S405-V409 WeakPolarHBondContact O-CG2 3.33Å; S405-V409 PolarHBondContact O-N 2.82Å |
| 406 | M | 77.9 | Confident | 75.8 | Confident | 131 Ų | 131 | 97.7 Ų | 97.7 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -38.6 | 172.8 | -76.3 | 174.3 | 64.4 | 0 | 0 | 111.9 | I402 E403 V409 G410 | I402-M406 HydrophobicContact CG2-CG 4.41Å; I402-M406 HydrophobicContact CG2-SD 4.02Å; I402-M406 WeakPolarHBondContact O-CB 3.18Å; I402-M406 WeakPolarHBondContact O-CG 3.38Å; I402-M406 PolarHBondContact O-N 2.95Å; E403-M406 PolarHBondContact O-N 3.41Å; M406-V409 PolarHBondContact O-N 3.49Å; M406-G410 PolarHBondContact O-N 3.27Å |
| 407 | A | 81.2 | Confident | 77.1 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E403 D404 V409 G410 V411 | E403-A407 WeakPolarHBondContact O-CB 3.34Å; E403-A407 PolarHBondContact O-N 3.49Å; D404-A407 PolarHBondContact O-N 2.86Å; A407-V409 PolarHBondContact O-N 3.29Å; A407-G410 PolarHBondContact O-N 3.47Å; A407-V411 WeakPolarHBondContact O-CG2 3.2Å; A407-V411 PolarHBondContact O-N 3.43Å |
| 408 | M | 84.5 | Confident | 78.7 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 173.8 | -76.5 | -119.5 | -73.3 | 0 | 0 | 112.3 | D404 S405 V411 A412 | D404-M408 WeakPolarHBondContact O-CB 3.34Å; D404-M408 VanDerWaalsContact O-CG 3.32Å; D404-M408 WeakPolarHBondContact O-CG 3.36Å; D404-M408 PolarHBondContact O-N 2.89Å; S405-M408 PolarHBondContact O-N 2.86Å; M408-V411 PolarHBondContact O-N 3.22Å; M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.43Å |
| 409 | V | 87.1 | Confident | 80.5 | Confident | 89 Ų | 89 | 92.1 Ų | 92.1 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | S405 M406 A407 A412 L413 | S405-V409 WeakPolarHBondContact O-CG2 3.33Å; S405-V409 PolarHBondContact O-N 2.82Å; M406-V409 PolarHBondContact O-N 3.49Å; A407-V409 PolarHBondContact O-N 3.29Å; V409-A412 PolarHBondContact O-N 3.32Å; V409-L413 HydrophobicContact CG1-CD1 4.06Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 WeakPolarHBondContact O-CG 3.34Å; V409-L413 PolarHBondContact O-N 2.79Å |
| 410 | G | 87.8 | Confident | 81.8 | Confident | 31 Ų | 31 | 92.6 Ų | 92.6 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M406 A407 A412 L413 V414 | M406-G410 PolarHBondContact O-N 3.27Å; A407-G410 PolarHBondContact O-N 3.47Å; G410-A412 PolarHBondContact O-N 3.49Å; G410-L413 PolarHBondContact O-N 2.9Å; G410-V414 WeakPolarHBondContact O-CG2 3.45Å; G410-V414 PolarHBondContact O-N 2.9Å |
| 411 | V | 91.4 | Very high | 82.9 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A407 M408 L413 V414 L415 | A407-V411 WeakPolarHBondContact O-CG2 3.2Å; A407-V411 PolarHBondContact O-N 3.43Å; M408-V411 PolarHBondContact O-N 3.22Å; V411-L413 PolarHBondContact O-N 2.83Å; V411-V414 PolarHBondContact O-N 2.91Å; V411-L415 HydrophobicContact CG1-CD1 3.9Å; V411-L415 HydrophobicContact CG1-CG 4.39Å; V411-L415 WeakPolarHBondContact O-CB 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.33Å |
| 412 | A | 90 | Very high | 83.6 | Confident | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M408 V409 G410 Y416 | M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.43Å; V409-A412 PolarHBondContact O-N 3.32Å; G410-A412 PolarHBondContact O-N 3.49Å; A412-Y416 WeakPolarHBondContact O-CB 3.44Å; A412-Y416 PolarHBondContact O-N 2.87Å |
| 413 | L | 92 | Very high | 83.8 | Confident | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 175.6 | -71.9 | 172.7 | 0 | 0 | 0 | 112.4 | V409 G410 V411 Y416 G417 | V409-L413 HydrophobicContact CG1-CD1 4.06Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 WeakPolarHBondContact O-CG 3.34Å; V409-L413 PolarHBondContact O-N 2.79Å; G410-L413 PolarHBondContact O-N 2.9Å; V411-L413 PolarHBondContact O-N 2.83Å; L413-Y416 PolarHBondContact O-N 3.24Å; L413-G417 PolarHBondContact O-N 2.96Å |
| 414 | V | 91.3 | Very high | 83.8 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | G410 V411 Y416 G417 L418 | G410-V414 WeakPolarHBondContact O-CG2 3.45Å; G410-V414 PolarHBondContact O-N 2.9Å; V411-V414 PolarHBondContact O-N 2.91Å; V414-Y416 PolarHBondContact O-N 3.44Å; V414-G417 PolarHBondContact O-N 3.29Å; V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 3.44Å |
| 415 | L | 91.1 | Very high | 83.5 | Confident | 96 Ų | 96 | 94.3 Ų | 94.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.9 | -73.3 | 170.4 | 0 | 0 | 0 | 111.8 | V411 G417 L418 I419 | V411-L415 HydrophobicContact CG1-CD1 3.9Å; V411-L415 HydrophobicContact CG1-CG 4.39Å; V411-L415 WeakPolarHBondContact O-CB 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.33Å; L415-G417 VanDerWaalsContact C-N 3.35Å; L415-G417 PolarHBondContact O-N 3.46Å; L415-L418 PolarHBondContact O-N 2.89Å; L415-I419 WeakPolarHBondContact O-CB 3.33Å; L415-I419 WeakPolarHBondContact O-CD1 3.37Å; L415-I419 VanDerWaalsContact O-CG1 3.23Å; L415-I419 WeakPolarHBondContact O-CG1 3.08Å; L415-I419 PolarHBondContact O-N 3.4Å |
| 416 | Y | 91.2 | Very high | 82.8 | Confident | 141 Ų | 141 | 99.8 Ų | 99.8 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 175.1 | -179.3 | -104.2 | 0 | 0 | 0 | 112.2 | A412 L413 V414 I419 K420 | A412-Y416 WeakPolarHBondContact O-CB 3.44Å; A412-Y416 PolarHBondContact O-N 2.87Å; L413-Y416 PolarHBondContact O-N 3.24Å; V414-Y416 PolarHBondContact O-N 3.44Å; Y416-I419 PolarHBondContact O-N 2.9Å; Y416-K420 HydrophobicContact CD1-CG 4.41Å; Y416-K420 HydrophobicContact CE1-CG 3.98Å; Y416-K420 HydrophobicContact CE2-CG 4.22Å; Y416-K420 WeakPolarHBondContact O-CB 3.41Å; Y416-K420 WeakPolarHBondContact O-CG 3.5Å; Y416-K420 PolarHBondContact O-N 3.49Å; Y416-K420 WeakPolarHBondContact OH-CE 3.41Å |
| 417 | G | 88 | Confident | 81.8 | Confident | 38 Ų | 38 | 98.2 Ų | 98.2 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L413 V414 L415 K420 F421 | L413-G417 PolarHBondContact O-N 2.96Å; V414-G417 PolarHBondContact O-N 3.29Å; L415-G417 VanDerWaalsContact C-N 3.35Å; L415-G417 PolarHBondContact O-N 3.46Å; G417-K420 PolarHBondContact O-N 2.94Å; G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 2.9Å |
| 418 | L | 87.4 | Confident | 80.5 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.4 | -71.2 | 170.2 | 0 | 0 | 0 | 111.9 | V414 L415 K420 F421 V422 | V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 3.44Å; L415-L418 PolarHBondContact O-N 2.89Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.27Å; L418-F421 PolarHBondContact O-N 3.45Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.42Å |
| 419 | I | 86.8 | Confident | 78.9 | Confident | 115 Ų | 115 | 96.5 Ų | 96.5 | 59% | 0.59 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 176.3 | -69.5 | 162.9 | 0 | 0 | 0 | 110.7 | L415 Y416 S423 | L415-I419 WeakPolarHBondContact O-CB 3.33Å; L415-I419 WeakPolarHBondContact O-CD1 3.37Å; L415-I419 VanDerWaalsContact O-CG1 3.23Å; L415-I419 WeakPolarHBondContact O-CG1 3.08Å; L415-I419 PolarHBondContact O-N 3.4Å; Y416-I419 PolarHBondContact O-N 2.9Å; I419-S423 VanDerWaalsContact O-CB 3.26Å; I419-S423 WeakPolarHBondContact O-CB 3.37Å; I419-S423 PolarHBondContact O-N 2.91Å |
| 420 | K | 83.1 | Confident | 77.2 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -40.5 | 175.7 | -80.6 | -67.8 | -172.8 | -177.6 | 0 | 112.7 | Y416 G417 L418 S423 W424 | Y416-K420 HydrophobicContact CD1-CG 4.41Å; Y416-K420 HydrophobicContact CE1-CG 3.98Å; Y416-K420 HydrophobicContact CE2-CG 4.22Å; Y416-K420 WeakPolarHBondContact O-CB 3.41Å; Y416-K420 WeakPolarHBondContact O-CG 3.5Å; Y416-K420 PolarHBondContact O-N 3.49Å; Y416-K420 WeakPolarHBondContact OH-CE 3.41Å; G417-K420 PolarHBondContact O-N 2.94Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.27Å; K420-S423 PolarHBondContact O-N 2.89Å; K420-W424 WeakPolarHBondContact O-CB 3.26Å; K420-W424 PolarHBondContact O-N 2.84Å |
| 421 | F | 79.1 | Confident | 75.3 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -50.3 | 176.2 | -178.4 | -97.6 | 0 | 0 | 0 | 111.3 | G417 L418 S423 W424 S425 | G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 2.9Å; L418-F421 PolarHBondContact O-N 3.45Å; F421-S423 PolarHBondContact O-N 3.19Å; F421-W424 PolarHBondContact O-N 3Å; F421-W424 VanDerWaalsContact O-N 3.1Å; F421-S425 PolarHBondContact O-N 2.9Å; F421-S425 PolarHBondContact O-OG 3.38Å |
| 422 | V | 79.9 | Confident | 73.2 | Confident | 76 Ų | 76 | 107.8 Ų | 107.8 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.1 | -47.7 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L418 W424 S425 F426 | L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.42Å; V422-W424 VanDerWaalsContact C-N 3.27Å; V422-W424 PolarHBondContact O-N 3.45Å; V422-S425 PolarHBondContact O-N 3.31Å; V422-F426 HydrophobicContact CG1-CD2 3.77Å; V422-F426 HydrophobicContact CG1-CE2 3.9Å; V422-F426 WeakPolarHBondContact O-CD2 3.41Å; V422-F426 PolarHBondContact O-N 2.68Å |
| 423 | S | 71.9 | Confident | 70.9 | Confident | 61 Ų | 61 | 113.6 Ų | 113.6 | 43% | 0.427 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58 | -37.9 | 176 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | I419 K420 F421 T427 | I419-S423 VanDerWaalsContact O-CB 3.26Å; I419-S423 WeakPolarHBondContact O-CB 3.37Å; I419-S423 PolarHBondContact O-N 2.91Å; K420-S423 PolarHBondContact O-N 2.89Å; F421-S423 PolarHBondContact O-N 3.19Å; S423-T427 WeakPolarHBondContact O-CB 3.33Å; S423-T427 PolarHBondContact O-N 2.84Å; S423-T427 VanDerWaalsContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.08Å |
| 424 | W | 69.5 | Low | 68.4 | Low | 203 Ų | 203 | 111.4 Ų | 111.4 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.6 | -42.2 | 178.1 | -161.2 | 49 | 0 | 0 | 0 | 112.3 | K420 F421 V422 F426 T427 G428 | K420-W424 WeakPolarHBondContact O-CB 3.26Å; K420-W424 PolarHBondContact O-N 2.84Å; F421-W424 PolarHBondContact O-N 3Å; F421-W424 VanDerWaalsContact O-N 3.1Å; V422-W424 VanDerWaalsContact C-N 3.27Å; V422-W424 PolarHBondContact O-N 3.45Å; W424-F426 PolarHBondContact O-N 3.2Å; W424-T427 PolarHBondContact O-N 3.46Å; W424-G428 PolarHBondContact O-N 3.28Å |
| 425 | S | 66.3 | Low | 65.9 | Low | 59 Ų | 59 | 116.7 Ų | 116.7 | 41% | 0.413 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 174.4 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | F421 V422 S429 | F421-S425 PolarHBondContact O-N 2.9Å; F421-S425 PolarHBondContact O-OG 3.38Å; V422-S425 PolarHBondContact O-N 3.31Å; S425-S429 PolarHBondContact O-N 3.1Å |
| 426 | F | 61.2 | Low | 63.7 | Low | 165 Ų | 165 | 118 Ų | 118 | 72% | 0.724 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.7 | -30.2 | 175.7 | -85.3 | -77.9 | 0 | 0 | 0 | 113.3 | V422 W424 | V422-F426 HydrophobicContact CG1-CD2 3.77Å; V422-F426 HydrophobicContact CG1-CE2 3.9Å; V422-F426 WeakPolarHBondContact O-CD2 3.41Å; V422-F426 PolarHBondContact O-N 2.68Å; W424-F426 PolarHBondContact O-N 3.2Å |
| 427 | T | 57.4 | Low | 61.5 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.2 | -31.1 | 178.1 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | S423 W424 S429 | S423-T427 WeakPolarHBondContact O-CB 3.33Å; S423-T427 PolarHBondContact O-N 2.84Å; S423-T427 VanDerWaalsContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.08Å; W424-T427 PolarHBondContact O-N 3.46Å; T427-S429 VanDerWaalsContact C-N 3.34Å |
| 428 | G | 54.5 | Low | 59.4 | Low | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.2 | -24.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W424 N430 | W424-G428 PolarHBondContact O-N 3.28Å; G428-N430 VanDerWaalsContact C-N 3.28Å; G428-N430 PolarHBondContact O-N 3.34Å |
| 429 | S | 50.3 | Low | 57.5 | Low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -6.6 | -177.8 | -167.1 | 0 | 0 | 0 | 0 | 114.8 | S425 T427 | S425-S429 PolarHBondContact O-N 3.1Å; T427-S429 VanDerWaalsContact C-N 3.34Å |
| 430 | N | 50.3 | Low | 55.4 | Low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 26.9 | -170.7 | -131.2 | 27.9 | 0 | 0 | 0 | 113.5 | G428 | G428-N430 VanDerWaalsContact C-N 3.28Å; G428-N430 PolarHBondContact O-N 3.34Å |
| 431 | K | 49.8 | Very low | 54 | Low | 199 Ų | 199 | 135.4 Ų | 135.4 | 87% | 0.865 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -140.7 | 48.1 | -179 | -149.8 | 174.6 | -171.5 | 177.4 | 0 | 114 | ||
| 432 | A | 46.8 | Very low | 52.7 | Low | 90 Ų | 90 | 135.5 Ų | 135.5 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | trans | -153.8 | 74.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 433 | D | 41.2 | Very low | 51.1 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 95% | 0.947 | 73% | 0.733 | S | S | * | * | -179.2 | 149.5 | 129.4 | -109.1 | -26.6 | 0 | 0 | 0 | 113.2 | |||||
| 434 | G | 39.4 | Very low | 49.9 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 94.9 | 92.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 435 | E | 39.3 | Very low | 48.7 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 96% | 0.963 | 75% | 0.749 | S | S | * | * | -168.1 | 148.3 | 105.5 | -104.9 | -177.6 | 161.6 | 0 | 0 | 111.8 | |||||
| 436 | D | 45.4 | Very low | 47.5 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | -146.2 | 147 | -165.5 | -180 | 28.2 | 0 | 0 | 0 | 110.5 | ||||
| 437 | K | 43.5 | Very low | 46.6 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 153.7 | 174.6 | -63.9 | 178.1 | -176.9 | 79.8 | 0 | 115.9 | ||||
| 438 | K | 44.2 | Very low | 45.7 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | cis | -168.7 | 170.6 | -2.1 | -115.7 | -167.7 | 170 | -145.3 | 0 | 107.3 | ||||
| 439 | E | 46.9 | Very low | 45 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | cis | -168.5 | 134.3 | -8.9 | -177.8 | 154.3 | -116.9 | 0 | 0 | 110.2 | ||||
| 440 | K | 42.8 | Very low | 44.5 | Very low | 279 Ų | 279 | 159.5 Ų | 159.5 | 100% | 1.213 | 81% | 0.814 | S | S | * | * | trans | -167.1 | 0 | 137 | -127 | -178 | -176.5 | -179.8 | 0 | 113.4 |
Retrieved 440 of 440 residues in 284 ms
(Link to these results)