| 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 | 53.7 | Low | 59.7 | Low | 235 Ų | 235 | 114.7 Ų | 114.7 | 100% | 1.158 | 66% | 0.66 | S | S | * | * | 0 | 74.6 | 0 | -69.3 | 174.5 | 160.1 | 0 | 0 | 109 | |||||
| 2 | T | 54.5 | Low | 60 | Low | 137 Ų | 137 | 108.9 Ų | 108.9 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | trans | -151.7 | 15.4 | -174.7 | 44.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | A | 54.2 | Low | 60.3 | Low | 78 Ų | 78 | 109 Ų | 109 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -112.3 | -4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 4 | T | 56.4 | Low | 60.4 | Low | 105 Ų | 105 | 104.7 Ų | 104.7 | 64% | 0.644 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -92.4 | -29.7 | -175.9 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | V8 | T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.3Å |
| 5 | L | 55.8 | Low | 60.4 | Low | 129 Ų | 129 | 103.7 Ų | 103.7 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.1 | -46.3 | 174.2 | -108.4 | 87 | 0 | 0 | 0 | 114.5 | L7 V8 I9 | L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å; L5-V8 PolarHBondContact O-N 2.81Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å |
| 6 | P | 58.5 | Low | 60.2 | Low | 69 Ų | 69 | 104.7 Ų | 104.7 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.9 | -31.7 | -176.4 | 25.3 | -33.3 | 0 | 0 | 0 | 112.4 | L10 | P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.48Å |
| 7 | L | 61.2 | Low | 60 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.6 | -39.3 | -179.9 | -157 | 90.7 | 0 | 0 | 0 | 111.9 | L5 L10 C11 | L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å; L7-L10 PolarHBondContact O-N 2.96Å; L7-C11 WeakPolarHBondContact O-CB 3.2Å; L7-C11 PolarHBondContact O-N 3.45Å; L7-C11 PolarHBondContact O-SG 2.9Å; L7-C11 VanDerWaalsContact O-SG 3.36Å |
| 8 | V | 67.7 | Low | 59.6 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.7 | -37.2 | 178.5 | 176.9 | 0 | 0 | 0 | 0 | 111 | T4 L5 C11 A12 | T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.3Å; L5-V8 PolarHBondContact O-N 2.81Å; V8-C11 PolarHBondContact O-N 2.81Å; V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 2.02Å |
| 9 | I | 67.6 | Low | 59.1 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67 | -42.4 | 175.3 | -64.2 | 166.9 | 0 | 0 | 0 | 110.6 | L5 C11 A12 L13 | L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; I9-C11 PolarHBondContact O-N 2.68Å; I9-A12 PolarHBondContact O-N 2.81Å; I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.17Å; I9-L13 PolarHBondContact O-N 3.33Å |
| 10 | L | 64.4 | Low | 58.8 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.4 | -42.6 | 174.3 | -100.2 | 143.7 | 0 | 0 | 0 | 112.3 | P6 L7 A14 | P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 2.96Å; L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.32Å |
| 11 | C | 63.1 | Low | 58.4 | Low | 76 Ų | 76 | 106 Ų | 106 | 51% | 0.514 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.5 | -39 | 175.7 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | L7 V8 I9 A14 T15 | L7-C11 WeakPolarHBondContact O-CB 3.2Å; L7-C11 PolarHBondContact O-N 3.45Å; L7-C11 PolarHBondContact O-SG 2.9Å; L7-C11 VanDerWaalsContact O-SG 3.36Å; V8-C11 PolarHBondContact O-N 2.81Å; I9-C11 PolarHBondContact O-N 2.68Å; C11-A14 PolarHBondContact O-N 3.28Å; C11-T15 WeakPolarHBondContact O-CG2 3.05Å; C11-T15 PolarHBondContact O-N 3.17Å; C11-T15 PolarHBondContact O-OG1 2.99Å |
| 12 | A | 63.3 | Low | 58.3 | Low | 45 Ų | 45 | 100.7 Ų | 100.7 | 37% | 0.372 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.8 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V8 I9 T15 L16 | V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 2.02Å; I9-A12 PolarHBondContact O-N 2.81Å; A12-T15 WeakPolarHBondContact CA-OG1 3.5Å; A12-T15 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-OG1 3.45Å; A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CD1 3.5Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.9Å |
| 13 | L | 63.8 | Low | 58.2 | Low | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.6 | -35.2 | 174.3 | -68.8 | 173.1 | 0 | 0 | 0 | 111.7 | I9 L16 A17 | I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.17Å; I9-L13 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-A17 WeakPolarHBondContact O-CB 2.95Å; L13-A17 PolarHBondContact O-N 3.42Å |
| 14 | A | 60.9 | Low | 58 | Low | 49 Ų | 49 | 109.6 Ų | 109.6 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L10 C11 A17 L18 | L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.32Å; C11-A14 PolarHBondContact O-N 3.28Å; A14-A17 PolarHBondContact O-N 2.86Å; A14-L18 WeakPolarHBondContact O-CD1 3.28Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 2.79Å; A14-L18 VanDerWaalsContact O-N 3.12Å |
| 15 | T | 60.2 | Low | 57.9 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.3 | -34.6 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | C11 A12 L18 A19 | C11-T15 WeakPolarHBondContact O-CG2 3.05Å; C11-T15 PolarHBondContact O-N 3.17Å; C11-T15 PolarHBondContact O-OG1 2.99Å; A12-T15 WeakPolarHBondContact CA-OG1 3.5Å; A12-T15 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-OG1 3.45Å; T15-L18 PolarHBondContact O-N 2.86Å; T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.21Å; T15-A19 VanDerWaalsContact O-N 3.11Å |
| 16 | L | 57.5 | Low | 57.7 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.5 | -38.1 | 171.3 | -85 | 155.4 | 0 | 0 | 0 | 112.5 | A12 L13 A19 | A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CD1 3.5Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 2.05Å |
| 17 | A | 57 | Low | 57.8 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 A14 S20 | L13-A17 WeakPolarHBondContact O-CB 2.95Å; L13-A17 PolarHBondContact O-N 3.42Å; A14-A17 PolarHBondContact O-N 2.86Å; A17-S20 PolarHBondContact O-OG 2.95Å |
| 18 | L | 52.8 | Low | 58.2 | Low | 153 Ų | 153 | 111.1 Ų | 111.1 | 80% | 0.801 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77 | -18.2 | 178.6 | -73.1 | 158 | 0 | 0 | 0 | 113.8 | A14 T15 | A14-L18 WeakPolarHBondContact O-CD1 3.28Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 2.79Å; A14-L18 VanDerWaalsContact O-N 3.12Å; T15-L18 PolarHBondContact O-N 2.86Å |
| 19 | A | 51 | Low | 58.9 | Low | 78 Ų | 78 | 114.1 Ų | 114.1 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T15 L16 K21 | T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.21Å; T15-A19 VanDerWaalsContact O-N 3.11Å; L16-A19 PolarHBondContact O-N 2.05Å; A19-K21 PolarHBondContact O-N 2.89Å |
| 20 | S | 52.3 | Low | 59.9 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | trans | -76 | 71.8 | 173.2 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | A17 T22 | A17-S20 PolarHBondContact O-OG 2.95Å; S20-T22 PolarHBondContact O-N 2.03Å | ||
| 21 | K | 49.7 | Very low | 60.9 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | trans | -65.8 | 82.8 | 163.4 | -166.4 | 178.6 | -176.8 | -170 | 0 | 107 | A19 E23 | A19-K21 PolarHBondContact O-N 2.89Å; K21-E23 PolarHBondContact O-N 2.93Å | ||
| 22 | T | 51.6 | Low | 62 | Low | 123 Ų | 123 | 108.7 Ų | 108.7 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -67.8 | 92 | 167.3 | 35.9 | 0 | 0 | 0 | 0 | 106.3 | S20 R24 | S20-T22 PolarHBondContact O-N 2.03Å; T22-R24 PolarHBondContact O-N 2.91Å | ||
| 23 | E | 52.8 | Low | 63.2 | Low | 164 Ų | 164 | 109.3 Ų | 109.3 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | trans | -59.8 | 91.1 | 158.1 | -76.8 | 176.2 | 144.2 | 0 | 0 | 106.2 | K21 A25 | K21-E23 PolarHBondContact O-N 2.93Å; E23-A25 PolarHBondContact O-N 2.69Å | ||
| 24 | R | 50.6 | Low | 64.4 | Low | 238 Ų | 238 | 108.6 Ų | 108.6 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | trans | -60.9 | 97.8 | 158.5 | -101.7 | -179.9 | 167.2 | 151.9 | -3.9 | 105 | T22 L26 | T22-R24 PolarHBondContact O-N 2.91Å; R24-L26 PolarHBondContact O-N 3.16Å; R24-L26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | A | 54 | Low | 65.9 | Low | 89 Ų | 89 | 111 Ų | 111 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | trans | -48.4 | 120.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | E23 N27 | E23-A25 PolarHBondContact O-N 2.69Å; A25-N27 PolarHBondContact O-N 3.19Å | ||
| 26 | L | 51.8 | Low | 67.4 | Low | 149 Ų | 149 | 107 Ų | 107 | 78% | 0.78 | 59% | 0.588 | S | S | * | * | trans | -61.1 | 95.7 | 172.5 | -179.5 | 120.6 | 0 | 0 | 0 | 105.5 | R24 V28 | R24-L26 PolarHBondContact O-N 3.16Å; R24-L26 VanDerWaalsContact O-N 3.1Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 PolarHBondContact O-N 3.35Å | ||
| 27 | N | 60.8 | Low | 68.9 | Low | 135 Ų | 135 | 107 Ų | 107 | 72% | 0.722 | 59% | 0.593 | S | S | * | * | trans | -65.7 | 102 | 172.7 | -164.4 | 21.5 | 0 | 0 | 0 | 105 | A25 E29 | A25-N27 PolarHBondContact O-N 3.19Å; N27-E29 PolarHBondContact O-N 2.79Å | ||
| 28 | V | 70.2 | Confident | 70.4 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | trans | -65.1 | 105.8 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 104.8 | L26 C30 | L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 PolarHBondContact O-N 3.35Å; V28-C30 PolarHBondContact O-N 3.43Å; V28-C30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | E | 82.6 | Confident | 72.1 | Confident | 164 Ų | 164 | 102.9 Ų | 102.9 | 77% | 0.766 | 58% | 0.582 | S | S | * | * | trans | -55.1 | 119.3 | 171.3 | -159.7 | 82 | -129.2 | 0 | 0 | 106.9 | N27 | N27-E29 PolarHBondContact O-N 2.79Š| ||
| 30 | C | 87.1 | Confident | 74 | Confident | 19 Ų | 19 | 104.5 Ų | 104.5 | 13% | 0.128 | 58% | 0.576 | C | S | . | * | trans | -123.7 | 107.2 | -175.8 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | V28 S32 G33 Q34 F35 C41 | V28-C30 PolarHBondContact O-N 3.43Å; V28-C30 VanDerWaalsContact O-N 3.14Å; C30-S32 PolarHBondContact O-N 3.17Å; C30-S32 PolarHBondContact SG-OG 3.35Å; C30-G33 PolarHBondContact O-N 3.42Å; C30-Q34 PolarHBondContact SG-O 2.93Å; C30-F35 HydrophobicContact CB-CE1 3.84Å; C30-F35 HydrophobicContact CB-CE2 4.22Å; C30-F35 HydrophobicContact CB-CZ 3.47Å; C30-F35 VanDerWaalsContact CB-CZ 3.47Å; C30-C41 WeakPolarHBondContact CA-SG 3.39Å; C30-C41 HydrophobicContact CB-CB 3.9Å; C30-C41 WeakPolarHBondContact CB-SG 3.43Å; C30-C41 WeakPolarHBondContact SG-CB 3.24Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.17Å | ||
| 31 | D | 85.6 | Confident | 75.9 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 77% | 0.765 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -33.6 | -173.6 | -64 | -41.5 | 0 | 0 | 0 | 112.1 | G33 | D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.27Å |
| 32 | S | 86.8 | Confident | 78 | Confident | 13 Ų | 13 | 94.5 Ų | 94.5 | 9% | 0.091 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.2 | 177.2 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | C30 Q34 C41 C42 H77 | C30-S32 PolarHBondContact O-N 3.17Å; C30-S32 PolarHBondContact SG-OG 3.35Å; S32-Q34 PolarHBondContact O-N 3.29Å; S32-C41 PolarHBondContact OG-SG 3.18Å; S32-C41 VanDerWaalsContact OG-SG 3.42Å; S32-C42 WeakPolarHBondContact CB-O 3.05Å; S32-C42 WeakPolarHBondContact OG-CB 3.09Å; S32-C42 PolarHBondContact OG-O 2.79Å; S32-H77 PolarHBondContact O-CE1 3.01Å |
| 33 | G | 88.4 | Confident | 80 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 63.7 | 7.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | C30 D31 | C30-G33 PolarHBondContact O-N 3.42Å; D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.27Å |
| 34 | Q | 88.9 | Confident | 82.1 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | trans | -129.2 | 153.4 | 180 | -70 | -174.1 | 19.1 | 0 | 0 | 111.4 | C30 S32 C42 H77 | C30-Q34 PolarHBondContact SG-O 2.93Å; S32-Q34 PolarHBondContact O-N 3.29Å; Q34-C42 HydrophobicContact CB-CB 4.32Å; Q34-C42 VanDerWaalsContact CB-SG 3.58Å; Q34-C42 PolarHBondContact O-N 3.44Å; Q34-C42 PolarHBondContact O-SG 2.02Å; Q34-H77 PolarHBondContact NE2-NE2 2.93Å; Q34-H77 PolarHBondContact OE1-NE2 3.26Å | ||
| 35 | F | 91.7 | Very high | 84.3 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -129.3 | 150.8 | -178.8 | -61.5 | -92.1 | 0 | 0 | 0 | 110.6 | C30 E40 C41 | C30-F35 HydrophobicContact CB-CE1 3.84Å; C30-F35 HydrophobicContact CB-CE2 4.22Å; C30-F35 HydrophobicContact CB-CZ 3.47Å; C30-F35 VanDerWaalsContact CB-CZ 3.47Å; F35-E40 CarbonylContact C-O 3.49Å; F35-E40 WeakPolarHBondContact CA-O 3.04Å; F35-C41 HydrophobicContact CD1-CB 4.29Å; F35-C41 HydrophobicContact CE1-CB 4.14Å |
| 36 | T | 92.3 | Very high | 86.3 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.043 | 43% | 0.431 | C | S | . | . | trans | -67.5 | 167 | 169 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | S38 G39 E40 G56 Q59 | T36-S38 WeakPolarHBondContact CB-OG 3.01Å; T36-S38 PolarHBondContact O-N 2.84Å; T36-S38 VanDerWaalsContact O-N 3.17Å; T36-S38 PolarHBondContact OG1-N 3.42Å; T36-S38 PolarHBondContact OG1-OG 3.37Å; T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-N 2.76Å; T36-E40 HydrophobicContact CG2-CB 4.47Å; T36-E40 PolarHBondContact N-O 3.05Å; T36-E40 WeakPolarHBondContact OG1-CB 3.41Å; T36-E40 PolarHBondContact OG1-N 3.06Å; T36-E40 PolarHBondContact OG1-O 3.07Å; T36-G56 CarbonylContact C-O 3.48Å; T36-G56 WeakPolarHBondContact CA-O 3.38Å; T36-G56 WeakPolarHBondContact CB-O 3.33Å; T36-Q59 HydrophobicContact CG2-CG 4.07Å | ||
| 37 | T | 89.9 | Confident | 88.5 | Confident | 117 Ų | 117 | 70.7 Ų | 70.7 | 72% | 0.718 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.4 | 169.1 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | G39 G56 A57 | T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G56 PolarHBondContact N-O 3.07Å; T37-A57 WeakPolarHBondContact OG1-CA 3.42Å |
| 38 | S | 87.4 | Confident | 90.3 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.5 | 172.2 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | T36 E40 | T36-S38 WeakPolarHBondContact CB-OG 3.01Å; T36-S38 PolarHBondContact O-N 2.84Å; T36-S38 VanDerWaalsContact O-N 3.17Å; T36-S38 PolarHBondContact OG1-N 3.42Å; T36-S38 PolarHBondContact OG1-OG 3.37Å; S38-E40 PolarHBondContact OG-OE2 2.9Å |
| 39 | G | 87.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 85 | 15.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T36 T37 | T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-N 2.76Å; T37-G39 VanDerWaalsContact C-N 3.32Å |
| 40 | E | 91.1 | Very high | 92.3 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 141.5 | 176.8 | -62.9 | 167.4 | 131.3 | 0 | 0 | 109.9 | F35 T36 S38 | F35-E40 CarbonylContact C-O 3.49Å; F35-E40 WeakPolarHBondContact CA-O 3.04Å; T36-E40 HydrophobicContact CG2-CB 4.47Å; T36-E40 PolarHBondContact N-O 3.05Å; T36-E40 WeakPolarHBondContact OG1-CB 3.41Å; T36-E40 PolarHBondContact OG1-N 3.06Å; T36-E40 PolarHBondContact OG1-O 3.07Å; S38-E40 PolarHBondContact OG-OE2 2.9Å |
| 41 | C | 92.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 28% | 0.284 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 140.2 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | C30 S32 F35 M43 Q59 | C30-C41 WeakPolarHBondContact CA-SG 3.39Å; C30-C41 HydrophobicContact CB-CB 3.9Å; C30-C41 WeakPolarHBondContact CB-SG 3.43Å; C30-C41 WeakPolarHBondContact SG-CB 3.24Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.17Å; S32-C41 PolarHBondContact OG-SG 3.18Å; S32-C41 VanDerWaalsContact OG-SG 3.42Å; F35-C41 HydrophobicContact CD1-CB 4.29Å; F35-C41 HydrophobicContact CE1-CB 4.14Å; C41-M43 PolarHBondContact O-N 3.41Å; C41-Q59 PolarHBondContact O-NE2 3.48Å; C41-Q59 PolarHBondContact O-OE1 3.46Å |
| 42 | C | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.7 | 178 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | S32 Q34 C55 H77 | S32-C42 WeakPolarHBondContact CB-O 3.05Å; S32-C42 WeakPolarHBondContact OG-CB 3.09Å; S32-C42 PolarHBondContact OG-O 2.79Å; Q34-C42 HydrophobicContact CB-CB 4.32Å; Q34-C42 VanDerWaalsContact CB-SG 3.58Å; Q34-C42 PolarHBondContact O-N 3.44Å; Q34-C42 PolarHBondContact O-SG 2.02Å; C42-C55 VanDerWaalsContact CA-SG 3.59Å; C42-C55 HydrophobicContact CB-CB 3.58Å; C42-C55 WeakPolarHBondContact CB-SG 3.26Å; C42-C55 WeakPolarHBondContact SG-CB 3.29Å; C42-C55 CovalentContact SG-SG 2.02Å; C42-C55 PolarHBondContact SG-SG 2.78Å; C42-H77 HydrophobicContact CB-CB 4.21Å |
| 43 | M | 94 | Very high | 93.7 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 136.9 | 170.6 | -75.7 | -177.3 | -57.5 | 0 | 0 | 110.7 | C41 Q59 T60 H77 | C41-M43 PolarHBondContact O-N 3.41Å; M43-Q59 HydrophobicContact CE-CB 3.68Å; M43-Q59 HydrophobicContact CE-CG 3.99Å; M43-Q59 VanDerWaalsContact CG-OE1 3.28Å; M43-T60 WeakPolarHBondContact O-CB 3.03Å; M43-T60 PolarHBondContact O-OG1 3.01Å; M43-H77 VanDerWaalsContact O-CB 3.27Å; M43-H77 WeakPolarHBondContact O-CB 3.15Å |
| 44 | E | 95.6 | Very high | 94 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 136.6 | 173 | -61.9 | -174.7 | 128.8 | 0 | 0 | 109.9 | H77 | E44-H77 HydrophobicContact CG-CB 4.26Š|
| 45 | C | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -71.4 | 132.3 | 170.7 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | E49 V51 C62 Y75 S76 | C45-E49 HydrophobicContact CB-CB 4.22Å; C45-V51 HydrophobicContact CB-CG2 4.46Å; C45-V51 VanDerWaalsContact SG-CG2 3.52Å; C45-C62 WeakPolarHBondContact CA-SG 3.15Å; C45-C62 HydrophobicContact CB-CB 3.79Å; C45-C62 WeakPolarHBondContact CB-SG 3.21Å; C45-C62 VanDerWaalsContact SG-CA 3.55Å; C45-C62 WeakPolarHBondContact SG-CB 3.41Å; C45-C62 CovalentContact SG-SG 2.03Å; C45-C62 PolarHBondContact SG-SG 2.75Å; C45-Y75 VanDerWaalsContact O-CA 3.27Å; C45-Y75 WeakPolarHBondContact O-CA 3.27Å; C45-S76 WeakPolarHBondContact CB-O 3.46Å; C45-S76 PolarHBondContact N-O 3.46Å; C45-S76 PolarHBondContact O-N 3.42Å |
| 46 | P | 97.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 164.7 | 177.4 | 31.8 | -36.5 | 0 | 0 | 0 | 111.7 | G48 E49 Y75 | P46-G48 PolarHBondContact O-N 2.9Å; P46-E49 HydrophobicContact CG-CB 4.29Å; P46-E49 HydrophobicContact CG-CG 4.18Å; P46-E49 PolarHBondContact O-N 2.89Å; P46-E49 VanDerWaalsContact O-O 3.09Å; P46-Y75 HydrophobicContact CB-CD1 4.28Å; P46-Y75 HydrophobicContact CB-CE1 3.77Å |
| 47 | P | 97.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 31% | 0.312 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 138.1 | 169.1 | -23.5 | 33.8 | 0 | 0 | 0 | 111.2 | E49 S72 E73 Y75 | P47-E49 VanDerWaalsContact C-N 3.34Å; P47-S72 CarbonylContact C-O 3.59Å; P47-S72 WeakPolarHBondContact CA-O 3.27Å; P47-S72 WeakPolarHBondContact CB-O 3.4Å; P47-E73 VanDerWaalsContact CG-O 3.28Å; P47-E73 WeakPolarHBondContact CG-O 3.07Å; P47-Y75 HydrophobicContact CG-CD2 4.24Å; P47-Y75 HydrophobicContact CG-CE2 4.03Å |
| 48 | G | 97.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -18.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P46 C65 S72 D99 | P46-G48 PolarHBondContact O-N 2.9Å; G48-C65 PolarHBondContact O-N 2.93Å; G48-S72 PolarHBondContact N-O 2.93Å; G48-D99 VanDerWaalsContact CA-O 3.27Å; G48-D99 WeakPolarHBondContact CA-O 3.25Å |
| 49 | E | 98.2 | Very high | 94.6 | Very high | 61 Ų | 61 | 52 Ų | 52 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.6 | 177.5 | -59.9 | -172.3 | 178.1 | 0 | 0 | 111.9 | C45 P46 P47 C62 A63 Q64 S72 | C45-E49 HydrophobicContact CB-CB 4.22Å; P46-E49 HydrophobicContact CG-CB 4.29Å; P46-E49 HydrophobicContact CG-CG 4.18Å; P46-E49 PolarHBondContact O-N 2.89Å; P46-E49 VanDerWaalsContact O-O 3.09Å; P47-E49 VanDerWaalsContact C-N 3.34Å; E49-C62 HydrophobicContact CB-CB 4.15Å; E49-C62 WeakPolarHBondContact OE2-CB 3.48Å; E49-A63 CarbonylContact C-O 3.38Å; E49-A63 VanDerWaalsContact CA-O 3.26Å; E49-A63 WeakPolarHBondContact CA-O 3.46Å; E49-Q64 HydrophobicContact CG-CG 4.28Å; E49-S72 VanDerWaalsContact O-CB 3.22Å; E49-S72 WeakPolarHBondContact O-CB 3.41Å; E49-S72 PolarHBondContact O-OG 3.45Å |
| 50 | G | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 158 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V52 C62 A63 | G50-V52 PolarHBondContact O-N 3.2Å; G50-C62 WeakPolarHBondContact O-CA 3.04Å; G50-A63 PolarHBondContact N-O 3.01Å; G50-A63 PolarHBondContact O-N 3.14Å |
| 51 | V | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.2 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | C45 E54 T60 H77 E79 K80 | C45-V51 HydrophobicContact CB-CG2 4.46Å; C45-V51 VanDerWaalsContact SG-CG2 3.52Å; V51-E54 HydrophobicContact CG1-CG 3.97Å; V51-T60 HydrophobicContact CG1-CG2 4.01Å; V51-T60 HydrophobicContact CG2-CG2 3.87Å; V51-H77 VanDerWaalsContact CG2-C 3.42Å; V51-E79 WeakPolarHBondContact CB-O 3.36Å; V51-E79 VanDerWaalsContact CG2-O 3.24Å; V51-E79 WeakPolarHBondContact CG2-O 3.45Å; V51-E79 PolarHBondContact N-O 3.35Å; V51-K80 WeakPolarHBondContact O-CD 3.2Å; V51-K80 WeakPolarHBondContact O-CG 3.49Å |
| 52 | V | 96.7 | Very high | 95.5 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -42.6 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | G50 V61 A63 | G50-V52 PolarHBondContact O-N 3.2Å; V52-V61 PolarHBondContact N-O 2.59Å; V52-A63 HydrophobicContact CG2-CB 3.38Å |
| 53 | K | 95.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.3 | 177.7 | -169.1 | -172.7 | -176.7 | -172.1 | 0 | 109.4 | T58 T60 V61 | K53-T58 WeakPolarHBondContact CE-OG1 3.41Å; K53-T58 PolarHBondContact NZ-OG1 3.32Å; K53-T60 WeakPolarHBondContact O-CA 3.48Å; K53-V61 HydrophobicContact CB-CB 3.88Å; K53-V61 HydrophobicContact CB-CG2 3.98Å; K53-V61 HydrophobicContact CD-CG2 4.31Å; K53-V61 PolarHBondContact N-O 3.48Å; K53-V61 PolarHBondContact O-N 3.27Å |
| 54 | E | 94.4 | Very high | 95.9 | Very high | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | trans | -69.2 | 154.5 | 178.3 | -67.2 | 173.7 | -160.6 | 0 | 0 | 111.9 | V51 | V51-E54 HydrophobicContact CG1-CG 3.97Š| ||
| 55 | C | 94 | Very high | 96 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -63.8 | 140.2 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | C42 | C42-C55 VanDerWaalsContact CA-SG 3.59Å; C42-C55 HydrophobicContact CB-CB 3.58Å; C42-C55 WeakPolarHBondContact CB-SG 3.26Å; C42-C55 WeakPolarHBondContact SG-CB 3.29Å; C42-C55 CovalentContact SG-SG 2.02Å; C42-C55 PolarHBondContact SG-SG 2.78Å |
| 56 | G | 91.2 | Very high | 96 | Very high | 28 Ų | 28 | 54 Ų | 54 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -178.8 | -105.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T36 T37 T58 | T36-G56 CarbonylContact C-O 3.48Å; T36-G56 WeakPolarHBondContact CA-O 3.38Å; T36-G56 WeakPolarHBondContact CB-O 3.33Å; T37-G56 PolarHBondContact N-O 3.07Å; G56-T58 PolarHBondContact N-O 2.04Å; G56-T58 PolarHBondContact O-N 2.79Å |
| 57 | A | 91.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 65% | 0.653 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -67.1 | -29 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T37 | T37-A57 WeakPolarHBondContact OG1-CA 3.42Š|
| 58 | T | 92.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -123.2 | 166.7 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 109.5 | K53 G56 | K53-T58 WeakPolarHBondContact CE-OG1 3.41Å; K53-T58 PolarHBondContact NZ-OG1 3.32Å; G56-T58 PolarHBondContact N-O 2.04Å; G56-T58 PolarHBondContact O-N 2.79Å |
| 59 | Q | 94.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | trans | -65 | 161.5 | 172.6 | -77.8 | -78.2 | -101.5 | 0 | 0 | 113.3 | T36 C41 M43 | T36-Q59 HydrophobicContact CG2-CG 4.07Å; C41-Q59 PolarHBondContact O-NE2 3.48Å; C41-Q59 PolarHBondContact O-OE1 3.46Å; M43-Q59 HydrophobicContact CE-CB 3.68Å; M43-Q59 HydrophobicContact CE-CG 3.99Å; M43-Q59 VanDerWaalsContact CG-OE1 3.28Å | ||
| 60 | T | 95.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | trans | -56 | 137.3 | 171.3 | -41.6 | 0 | 0 | 0 | 0 | 110.1 | M43 V51 K53 H77 | M43-T60 WeakPolarHBondContact O-CB 3.03Å; M43-T60 PolarHBondContact O-OG1 3.01Å; V51-T60 HydrophobicContact CG1-CG2 4.01Å; V51-T60 HydrophobicContact CG2-CG2 3.87Å; K53-T60 WeakPolarHBondContact O-CA 3.48Å; T60-H77 HydrophobicContact CG2-CB 4.35Å | ||
| 61 | V | 96.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.3 | 172.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | V52 K53 | V52-V61 PolarHBondContact N-O 2.59Å; K53-V61 HydrophobicContact CB-CB 3.88Å; K53-V61 HydrophobicContact CB-CG2 3.98Å; K53-V61 HydrophobicContact CD-CG2 4.31Å; K53-V61 PolarHBondContact N-O 3.48Å; K53-V61 PolarHBondContact O-N 3.27Å |
| 62 | C | 97.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 63.5 Ų | 63.5 | 27% | 0.27 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 151 | -178.8 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | C45 E49 G50 | C45-C62 WeakPolarHBondContact CA-SG 3.15Å; C45-C62 HydrophobicContact CB-CB 3.79Å; C45-C62 WeakPolarHBondContact CB-SG 3.21Å; C45-C62 VanDerWaalsContact SG-CA 3.55Å; C45-C62 WeakPolarHBondContact SG-CB 3.41Å; C45-C62 CovalentContact SG-SG 2.03Å; C45-C62 PolarHBondContact SG-SG 2.75Å; E49-C62 HydrophobicContact CB-CB 4.15Å; E49-C62 WeakPolarHBondContact OE2-CB 3.48Å; G50-C62 WeakPolarHBondContact O-CA 3.04Å |
| 63 | A | 97.6 | Very high | 95.8 | Very high | 42 Ų | 42 | 63 Ų | 63 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E49 G50 V52 | E49-A63 CarbonylContact C-O 3.38Å; E49-A63 VanDerWaalsContact CA-O 3.26Å; E49-A63 WeakPolarHBondContact CA-O 3.46Å; G50-A63 PolarHBondContact N-O 3.01Å; G50-A63 PolarHBondContact O-N 3.14Å; V52-A63 HydrophobicContact CG2-CB 3.38Å |
| 64 | Q | 98.1 | Very high | 95.8 | Very high | 155 Ų | 155 | 62.3 Ų | 62.3 | 72% | 0.724 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137.2 | 177.2 | -73.7 | 170.1 | 30.7 | 0 | 0 | 111 | E49 | E49-Q64 HydrophobicContact CG-CG 4.28Å |
| 65 | C | 98.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -72.2 | 147.1 | 169.7 | -57.9 | 0 | 0 | 0 | 0 | 110 | G48 D67 T70 C81 D99 | G48-C65 PolarHBondContact O-N 2.93Å; C65-D67 PolarHBondContact O-N 2.81Å; C65-T70 WeakPolarHBondContact CB-O 3.31Å; C65-T70 WeakPolarHBondContact CB-OG1 3.41Å; C65-C81 WeakPolarHBondContact CA-SG 3.22Å; C65-C81 HydrophobicContact CB-CB 3.86Å; C65-C81 WeakPolarHBondContact CB-SG 3.46Å; C65-C81 WeakPolarHBondContact SG-CB 3.4Å; C65-C81 CovalentContact SG-SG 2.05Å; C65-C81 PolarHBondContact SG-SG 2.92Å; C65-D99 HydrophobicContact CB-CB 4.34Å | ||
| 66 | L | 97.8 | Very high | 95.9 | Very high | 98 Ų | 98 | 63.7 Ų | 63.7 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | trans | -78.2 | 115.6 | 178.9 | -176.2 | 55.9 | 0 | 0 | 0 | 109.7 | E69 T70 | L66-E69 HydrophobicContact CB-CB 4.24Å; L66-E69 HydrophobicContact CD2-CB 4.14Å; L66-E69 HydrophobicContact CD2-CG 4.05Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.03Å; L66-E69 HydrophobicContact CG-CB 4.06Å; L66-E69 HydrophobicContact CG-CG 4.17Å; L66-E69 PolarHBondContact O-N 2.89Å; L66-T70 PolarHBondContact N-OG1 2.86Å; L66-T70 PolarHBondContact O-N 2.79Å; L66-T70 PolarHBondContact O-OG1 3.11Å | ||
| 67 | D | 95.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 139.6 | -179.6 | -169.8 | 44.5 | 0 | 0 | 0 | 111.5 | C65 E69 T98 D99 | C65-D67 PolarHBondContact O-N 2.81Å; D67-E69 PolarHBondContact O-N 3.1Å; D67-T98 WeakPolarHBondContact OD1-CA 3.22Å; D67-D99 PolarHBondContact OD1-N 3.35Å |
| 68 | S | 94.3 | Very high | 96.2 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 58% | 0.58 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -6.4 | -173.6 | 75.8 | 0 | 0 | 0 | 0 | 117.8 | ||
| 69 | E | 96.1 | Very high | 96.3 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -39.8 | 178.1 | -64.8 | -166.9 | -171.1 | 0 | 0 | 113.1 | L66 D67 P83 C84 | L66-E69 HydrophobicContact CB-CB 4.24Å; L66-E69 HydrophobicContact CD2-CB 4.14Å; L66-E69 HydrophobicContact CD2-CG 4.05Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.03Å; L66-E69 HydrophobicContact CG-CB 4.06Å; L66-E69 HydrophobicContact CG-CG 4.17Å; L66-E69 PolarHBondContact O-N 2.89Å; D67-E69 PolarHBondContact O-N 3.1Å; E69-P83 WeakPolarHBondContact O-CA 3.18Å; E69-C84 PolarHBondContact O-N 2.82Å; E69-C84 PolarHBondContact O-SG 2.93Å |
| 70 | T | 97.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 66 Ų | 66 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.9 | -178.1 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | C65 L66 K82 C84 | C65-T70 WeakPolarHBondContact CB-O 3.31Å; C65-T70 WeakPolarHBondContact CB-OG1 3.41Å; L66-T70 PolarHBondContact N-OG1 2.86Å; L66-T70 PolarHBondContact O-N 2.79Å; L66-T70 PolarHBondContact O-OG1 3.11Å; T70-K82 CarbonylContact C-O 3.49Å; T70-K82 WeakPolarHBondContact CA-O 3.37Å; T70-K82 VanDerWaalsContact CB-O 3.28Å; T70-K82 WeakPolarHBondContact CB-O 3.28Å; T70-C84 PolarHBondContact N-SG 2.84Å; T70-C84 VanDerWaalsContact N-SG 3.42Å |
| 71 | Y | 98 | Very high | 96.6 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.3 | -177.6 | 77.2 | -81 | 0 | 0 | 0 | 113.1 | E73 K82 P83 T98 D99 D102 | Y71-E73 HydrophobicContact CD2-CG 3.82Å; Y71-E73 HydrophobicContact CE2-CG 3.87Å; Y71-K82 HydrophobicContact CD1-CB 4.21Å; Y71-K82 WeakPolarHBondContact CD1-O 3.45Å; Y71-K82 HydrophobicContact CE1-CB 3.78Å; Y71-K82 PolarHBondContact N-O 3.39Å; Y71-K82 PolarHBondContact O-N 3.41Å; Y71-P83 WeakPolarHBondContact CE1-O 3.36Å; Y71-T98 WeakPolarHBondContact CB-O 3.46Å; Y71-D99 CarbonylContact C-O 3.56Å; Y71-D99 WeakPolarHBondContact CA-O 3.28Å; Y71-D102 HydrophobicContact CD1-CB 4.08Å; Y71-D102 HydrophobicContact CD2-CB 4.04Å; Y71-D102 HydrophobicContact CE1-CB 3.7Å; Y71-D102 VanDerWaalsContact CE1-CG 3.41Å; Y71-D102 HydrophobicContact CE2-CB 3.64Å; Y71-D102 HydrophobicContact CG-CB 4.24Å; Y71-D102 VanDerWaalsContact CZ-CB 3.45Å; Y71-D102 PolarHBondContact OH-OD2 2.83Å |
| 72 | S | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | trans | -145.6 | 116.8 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | P47 G48 E49 D99 S100 | P47-S72 CarbonylContact C-O 3.59Å; P47-S72 WeakPolarHBondContact CA-O 3.27Å; P47-S72 WeakPolarHBondContact CB-O 3.4Å; G48-S72 PolarHBondContact N-O 2.93Å; E49-S72 VanDerWaalsContact O-CB 3.22Å; E49-S72 WeakPolarHBondContact O-CB 3.41Å; E49-S72 PolarHBondContact O-OG 3.45Å; S72-D99 PolarHBondContact N-O 3.42Å; S72-S100 WeakPolarHBondContact O-CA 3.42Å | ||
| 73 | E | 96.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | trans | -95.2 | -25.1 | -172 | -84 | 167.5 | -176.3 | 0 | 0 | 114.5 | P47 Y71 S100 D102 | P47-E73 VanDerWaalsContact CG-O 3.28Å; P47-E73 WeakPolarHBondContact CG-O 3.07Å; Y71-E73 HydrophobicContact CD2-CG 3.82Å; Y71-E73 HydrophobicContact CE2-CG 3.87Å; E73-S100 WeakPolarHBondContact CA-O 3.28Å; E73-S100 VanDerWaalsContact CG-O 3.25Å; E73-S100 WeakPolarHBondContact CG-O 3.49Å; E73-D102 PolarHBondContact OE1-N 3.42Å | ||
| 74 | N | 95.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 69.9 Ų | 69.9 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -120.8 | 154.6 | -168.6 | -66.3 | -33.7 | 0 | 0 | 0 | 111 | S76 | N74-S76 PolarHBondContact O-N 2.94Š|
| 75 | Y | 96 | Very high | 96.6 | Very high | 149 Ų | 149 | 65.8 Ų | 65.8 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | trans | -64.4 | 124.4 | 165.9 | -70.6 | -94.8 | 0 | 0 | 0 | 109.1 | C45 P46 P47 | C45-Y75 VanDerWaalsContact O-CA 3.27Å; C45-Y75 WeakPolarHBondContact O-CA 3.27Å; P46-Y75 HydrophobicContact CB-CD1 4.28Å; P46-Y75 HydrophobicContact CB-CE1 3.77Å; P47-Y75 HydrophobicContact CG-CD2 4.24Å; P47-Y75 HydrophobicContact CG-CE2 4.03Å | ||
| 76 | S | 95.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -153.6 | 138.3 | 179.6 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | C45 N74 T78 E79 | C45-S76 WeakPolarHBondContact CB-O 3.46Å; C45-S76 PolarHBondContact N-O 3.46Å; C45-S76 PolarHBondContact O-N 3.42Å; N74-S76 PolarHBondContact O-N 2.94Å; S76-T78 PolarHBondContact OG-N 3.25Å; S76-T78 VanDerWaalsContact OG-N 3.17Å; S76-T78 PolarHBondContact OG-OG1 2.99Å; S76-E79 WeakPolarHBondContact OG-CB 3.09Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.91Å |
| 77 | H | 94.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 69.6 Ų | 69.6 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -94.3 | 0.7 | 169.8 | 68.1 | -68.6 | 0 | 0 | 0 | 113.7 | S32 Q34 C42 M43 E44 V51 T60 | S32-H77 PolarHBondContact O-CE1 3.01Å; Q34-H77 PolarHBondContact NE2-NE2 2.93Å; Q34-H77 PolarHBondContact OE1-NE2 3.26Å; C42-H77 HydrophobicContact CB-CB 4.21Å; M43-H77 VanDerWaalsContact O-CB 3.27Å; M43-H77 WeakPolarHBondContact O-CB 3.15Å; E44-H77 HydrophobicContact CG-CB 4.26Å; V51-H77 VanDerWaalsContact CG2-C 3.42Å; T60-H77 HydrophobicContact CG2-CB 4.35Å |
| 78 | T | 94.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 69 Ų | 69 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -125.8 | -29.8 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | S76 K80 | S76-T78 PolarHBondContact OG-N 3.25Å; S76-T78 VanDerWaalsContact OG-N 3.17Å; S76-T78 PolarHBondContact OG-OG1 2.99Å; T78-K80 PolarHBondContact O-N 3.5Å |
| 79 | E | 95.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 68 Ų | 68 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 127.8 | -176 | -66.3 | -161 | 146.7 | 0 | 0 | 112 | V51 S76 K82 | V51-E79 WeakPolarHBondContact CB-O 3.36Å; V51-E79 VanDerWaalsContact CG2-O 3.24Å; V51-E79 WeakPolarHBondContact CG2-O 3.45Å; V51-E79 PolarHBondContact N-O 3.35Å; S76-E79 WeakPolarHBondContact OG-CB 3.09Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.91Å; E79-K82 IonicContact OE1-NZ 2.79Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 2.79Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å |
| 80 | K | 97.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 164.8 | 171 | -46.8 | -160.1 | 174.3 | 176.7 | 0 | 110.1 | V51 T78 K82 | V51-K80 WeakPolarHBondContact O-CD 3.2Å; V51-K80 WeakPolarHBondContact O-CG 3.49Å; T78-K80 PolarHBondContact O-N 3.5Å; K80-K82 PolarHBondContact O-N 3.26Å |
| 81 | C | 97.8 | Very high | 96.1 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 124.9 | 169.9 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | C65 | C65-C81 WeakPolarHBondContact CA-SG 3.22Å; C65-C81 HydrophobicContact CB-CB 3.86Å; C65-C81 WeakPolarHBondContact CB-SG 3.46Å; C65-C81 WeakPolarHBondContact SG-CB 3.4Å; C65-C81 CovalentContact SG-SG 2.05Å; C65-C81 PolarHBondContact SG-SG 2.92Å |
| 82 | K | 97.8 | Very high | 96 | Very high | 77 Ų | 77 | 69 Ų | 69 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 143.2 | -179.8 | -69.4 | 168.1 | -179.5 | 160.4 | 0 | 109 | T70 Y71 E79 K80 | T70-K82 CarbonylContact C-O 3.49Å; T70-K82 WeakPolarHBondContact CA-O 3.37Å; T70-K82 VanDerWaalsContact CB-O 3.28Å; T70-K82 WeakPolarHBondContact CB-O 3.28Å; Y71-K82 HydrophobicContact CD1-CB 4.21Å; Y71-K82 WeakPolarHBondContact CD1-O 3.45Å; Y71-K82 HydrophobicContact CE1-CB 3.78Å; Y71-K82 PolarHBondContact N-O 3.39Å; Y71-K82 PolarHBondContact O-N 3.41Å; E79-K82 IonicContact OE1-NZ 2.79Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 2.79Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å; K80-K82 PolarHBondContact O-N 3.26Å |
| 83 | P | 97.9 | Very high | 95.9 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 66% | 0.656 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 140.8 | 174.5 | 28.8 | -34.1 | 0 | 0 | 0 | 110.5 | E69 Y71 | E69-P83 WeakPolarHBondContact O-CA 3.18Å; Y71-P83 WeakPolarHBondContact CE1-O 3.36Å |
| 84 | C | 97.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 142.8 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | E69 T70 Q86 C97 D102 | E69-C84 PolarHBondContact O-N 2.82Å; E69-C84 PolarHBondContact O-SG 2.93Å; T70-C84 PolarHBondContact N-SG 2.84Å; T70-C84 VanDerWaalsContact N-SG 3.42Å; C84-Q86 PolarHBondContact O-N 2.73Å; C84-C97 HydrophobicContact CB-CB 3.62Å; C84-C97 WeakPolarHBondContact CB-SG 3.46Å; C84-C97 WeakPolarHBondContact SG-CB 3.39Å; C84-C97 CovalentContact SG-SG 2.02Å; C84-C97 PolarHBondContact SG-SG 2.91Å; C84-D102 WeakPolarHBondContact CA-OD1 3.33Å |
| 85 | T | 96.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 129.3 | 170.2 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | D102 A103 | T85-D102 WeakPolarHBondContact CB-OD1 3.38Å; T85-D102 VanDerWaalsContact CB-OD2 3.28Å; T85-D102 WeakPolarHBondContact CB-OD2 3.39Å; T85-D102 PolarHBondContact N-OD1 3.41Å; T85-D102 PolarHBondContact OG1-OD2 3.44Å; T85-A103 WeakPolarHBondContact O-CB 3.35Å |
| 86 | Q | 95.1 | Very high | 95.9 | Very high | 159 Ų | 159 | 68.7 Ų | 68.7 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -98 | 118.5 | 175.9 | -169.3 | 176 | 71.1 | 0 | 0 | 110.7 | C84 T88 | C84-Q86 PolarHBondContact O-N 2.73Å; Q86-T88 HydrophobicContact CB-CG2 4.46Å; Q86-T88 HydrophobicContact CG-CG2 4.03Å; Q86-T88 PolarHBondContact O-N 2.04Å; Q86-T88 VanDerWaalsContact O-N 3.17Å |
| 87 | C | 95.4 | Very high | 96 | Very high | 28 Ų | 28 | 68.6 Ų | 68.6 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | trans | -73 | 108 | 175.4 | -49.4 | 0 | 0 | 0 | 0 | 110.4 | M91 C105 | C87-M91 HydrophobicContact CB-CB 4.23Å; C87-C105 WeakPolarHBondContact CA-SG 3.38Å; C87-C105 HydrophobicContact CB-CB 3.84Å; C87-C105 WeakPolarHBondContact CB-SG 3.07Å; C87-C105 WeakPolarHBondContact SG-CA 3.48Å; C87-C105 WeakPolarHBondContact SG-CB 3.07Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.88Å | ||
| 88 | T | 93.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | trans | -115.5 | 169.2 | -177.9 | 59.1 | 0 | 0 | 0 | 0 | 112 | Q86 L90 M91 | Q86-T88 HydrophobicContact CB-CG2 4.46Å; Q86-T88 HydrophobicContact CG-CG2 4.03Å; Q86-T88 PolarHBondContact O-N 2.04Å; Q86-T88 VanDerWaalsContact O-N 3.17Å; T88-L90 PolarHBondContact O-N 3.31Å; T88-M91 WeakPolarHBondContact O-CB 3.17Å; T88-M91 PolarHBondContact O-N 2.92Å | ||
| 89 | G | 93.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -123.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M91 K108 | G89-M91 VanDerWaalsContact C-N 3.3Å; G89-K108 WeakPolarHBondContact O-CE 3.4Å; G89-K108 PolarHBondContact O-NZ 3.22Å |
| 90 | L | 95.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 11.8 | 178.4 | -67.8 | 177 | 0 | 0 | 0 | 113.4 | T88 K108 F111 C120 | T88-L90 PolarHBondContact O-N 3.31Å; L90-K108 WeakPolarHBondContact O-CB 3.37Å; L90-K108 WeakPolarHBondContact O-CG 3.33Å; L90-K108 PolarHBondContact O-N 3.48Å; L90-F111 HydrophobicContact CD1-CD1 3.93Å; L90-F111 HydrophobicContact CD1-CE1 3.69Å; L90-F111 HydrophobicContact CD1-CZ 4.44Å; L90-F111 HydrophobicContact CD2-CD1 4.49Å; L90-F111 HydrophobicContact CD2-CE1 3.99Å; L90-F111 HydrophobicContact CD2-CE2 4.33Å; L90-F111 HydrophobicContact CD2-CZ 3.91Å; L90-F111 HydrophobicContact CG-CE1 4.41Å; L90-C120 HydrophobicContact CB-CB 3.75Å; L90-C120 HydrophobicContact CD1-CB 4.33Å; L90-C120 WeakPolarHBondContact CD1-O 3.38Å |
| 91 | M | 95.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 154.5 | 176.1 | -59.1 | 174.3 | 128.1 | 0 | 0 | 111.2 | C87 T88 G89 C105 V106 K108 | C87-M91 HydrophobicContact CB-CB 4.23Å; T88-M91 WeakPolarHBondContact O-CB 3.17Å; T88-M91 PolarHBondContact O-N 2.92Å; G89-M91 VanDerWaalsContact C-N 3.3Å; M91-C105 HydrophobicContact CB-CB 4.28Å; M91-C105 HydrophobicContact SD-CB 4.29Å; M91-V106 CarbonylContact C-O 3.48Å; M91-V106 WeakPolarHBondContact CA-O 3.27Å; M91-K108 WeakPolarHBondContact O-CE 3.37Å |
| 92 | R | 95.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.8 | 170.8 | 66 | 173 | -179.2 | 84.1 | -0.1 | 109.1 | C105 V106 C107 K108 | R92-C105 WeakPolarHBondContact O-CA 3.03Å; R92-V106 HydrophobicContact CG-CG2 3.93Å; R92-V106 PolarHBondContact N-O 2.98Å; R92-V106 PolarHBondContact O-N 3.46Å; R92-C107 PolarHBondContact NE-O 3.17Å; R92-K108 HydrophobicContact CB-CG 4.1Å |
| 93 | M | 95.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.9 | 173.6 | -163.1 | 171.5 | -81.6 | 0 | 0 | 109.7 | T95 P96 A103 | M93-T95 WeakPolarHBondContact CG-O 3.47Å; M93-P96 VanDerWaalsContact SD-CA 3.52Å; M93-P96 HydrophobicContact SD-CB 4.06Å; M93-A103 HydrophobicContact CE-CB 3.92Å; M93-A103 HydrophobicContact CG-CB 4.47Å |
| 94 | E | 95.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -49.4 | 168.5 | -179.2 | 170.6 | -135.3 | 0 | 0 | 110.2 | K104 V106 Y139 | E94-K104 PolarHBondContact N-O 2.93Å; E94-V106 HydrophobicContact CB-CB 4.45Å; E94-V106 HydrophobicContact CB-CG1 3.83Å; E94-V106 HydrophobicContact CB-CG2 3.81Å; E94-V106 HydrophobicContact CG-CG1 4.42Å; E94-V106 WeakPolarHBondContact OE2-CG1 3.32Å; E94-Y139 PolarHBondContact OE2-OH 2.04Å |
| 95 | T | 95.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 64 Ų | 64 | 31% | 0.307 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.6 | 170.9 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | M93 A103 K104 | M93-T95 WeakPolarHBondContact CG-O 3.47Å; T95-A103 WeakPolarHBondContact O-CA 3.18Å; T95-K104 HydrophobicContact CG2-CD 4.33Å; T95-K104 PolarHBondContact O-N 2.85Å; T95-K104 VanDerWaalsContact O-N 3.15Å; T95-K104 WeakPolarHBondContact OG1-CB 3.46Å; T95-K104 VanDerWaalsContact OG1-CG 3.23Å; T95-K104 WeakPolarHBondContact OG1-CG 3.08Å; T95-K104 PolarHBondContact OG1-N 3.5Å |
| 96 | P | 96.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | trans | -65.7 | 153.3 | 176.2 | 30.1 | -34.6 | 0 | 0 | 0 | 111.5 | M93 | M93-P96 VanDerWaalsContact SD-CA 3.52Å; M93-P96 HydrophobicContact SD-CB 4.06Å | ||
| 97 | C | 97.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | trans | -69.9 | 134.1 | 168 | -165.2 | 0 | 0 | 0 | 0 | 109.1 | C84 N101 A103 | C84-C97 HydrophobicContact CB-CB 3.62Å; C84-C97 WeakPolarHBondContact CB-SG 3.46Å; C84-C97 WeakPolarHBondContact SG-CB 3.39Å; C84-C97 CovalentContact SG-SG 2.02Å; C84-C97 PolarHBondContact SG-SG 2.91Å; C97-N101 PolarHBondContact SG-O 2.87Å; C97-N101 VanDerWaalsContact SG-O 3.41Å; C97-A103 HydrophobicContact CB-CB 3.94Å | ||
| 98 | T | 97 | Very high | 96.2 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 169.1 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 109.2 | D67 Y71 S100 N101 | D67-T98 WeakPolarHBondContact OD1-CA 3.22Å; Y71-T98 WeakPolarHBondContact CB-O 3.46Å; T98-S100 PolarHBondContact O-N 2.63Å; T98-S100 PolarHBondContact OG1-N 3.31Å; T98-S100 PolarHBondContact OG1-OG 2.94Å; T98-N101 PolarHBondContact N-O 2.91Å; T98-N101 PolarHBondContact O-N 3.35Å; T98-N101 PolarHBondContact OG1-N 3.47Å; T98-N101 PolarHBondContact OG1-ND2 2.82Å |
| 99 | D | 97.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -26.8 | 171 | 62.3 | -6.7 | 0 | 0 | 0 | 114.7 | G48 C65 D67 Y71 S72 | G48-D99 VanDerWaalsContact CA-O 3.27Å; G48-D99 WeakPolarHBondContact CA-O 3.25Å; C65-D99 HydrophobicContact CB-CB 4.34Å; D67-D99 PolarHBondContact OD1-N 3.35Å; Y71-D99 CarbonylContact C-O 3.56Å; Y71-D99 WeakPolarHBondContact CA-O 3.28Å; S72-D99 PolarHBondContact N-O 3.42Å |
| 100 | S | 97.1 | Very high | 96.2 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -10.4 | -170.4 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | S72 E73 T98 | S72-S100 WeakPolarHBondContact O-CA 3.42Å; E73-S100 WeakPolarHBondContact CA-O 3.28Å; E73-S100 VanDerWaalsContact CG-O 3.25Å; E73-S100 WeakPolarHBondContact CG-O 3.49Å; T98-S100 PolarHBondContact O-N 2.63Å; T98-S100 PolarHBondContact OG1-N 3.31Å; T98-S100 PolarHBondContact OG1-OG 2.94Å |
| 101 | N | 96.5 | Very high | 96.3 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -146.7 | 141.4 | -177.5 | -60.3 | -81.2 | 0 | 0 | 0 | 111.1 | C97 T98 | C97-N101 PolarHBondContact SG-O 2.87Å; C97-N101 VanDerWaalsContact SG-O 3.41Å; T98-N101 PolarHBondContact N-O 2.91Å; T98-N101 PolarHBondContact O-N 3.35Å; T98-N101 PolarHBondContact OG1-N 3.47Å; T98-N101 PolarHBondContact OG1-ND2 2.82Å |
| 102 | D | 97.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 158.7 | 172.9 | -157.8 | 5.9 | 0 | 0 | 0 | 112.5 | Y71 E73 C84 T85 K104 | Y71-D102 HydrophobicContact CD1-CB 4.08Å; Y71-D102 HydrophobicContact CD2-CB 4.04Å; Y71-D102 HydrophobicContact CE1-CB 3.7Å; Y71-D102 VanDerWaalsContact CE1-CG 3.41Å; Y71-D102 HydrophobicContact CE2-CB 3.64Å; Y71-D102 HydrophobicContact CG-CB 4.24Å; Y71-D102 VanDerWaalsContact CZ-CB 3.45Å; Y71-D102 PolarHBondContact OH-OD2 2.83Å; E73-D102 PolarHBondContact OE1-N 3.42Å; C84-D102 WeakPolarHBondContact CA-OD1 3.33Å; T85-D102 WeakPolarHBondContact CB-OD1 3.38Å; T85-D102 VanDerWaalsContact CB-OD2 3.28Å; T85-D102 WeakPolarHBondContact CB-OD2 3.39Å; T85-D102 PolarHBondContact N-OD1 3.41Å; T85-D102 PolarHBondContact OG1-OD2 3.44Å; D102-K104 PolarHBondContact O-N 3.42Å |
| 103 | A | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 131.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T85 M93 T95 C97 | T85-A103 WeakPolarHBondContact O-CB 3.35Å; M93-A103 HydrophobicContact CE-CB 3.92Å; M93-A103 HydrophobicContact CG-CB 4.47Å; T95-A103 WeakPolarHBondContact O-CA 3.18Å; C97-A103 HydrophobicContact CB-CB 3.94Å |
| 104 | K | 96.4 | Very high | 96.4 | Very high | 129 Ų | 129 | 56.7 Ų | 56.7 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.9 | 171.1 | -63.9 | 178.9 | -177.6 | 179 | 0 | 109.9 | E94 T95 D102 | E94-K104 PolarHBondContact N-O 2.93Å; T95-K104 HydrophobicContact CG2-CD 4.33Å; T95-K104 PolarHBondContact O-N 2.85Å; T95-K104 VanDerWaalsContact O-N 3.15Å; T95-K104 WeakPolarHBondContact OG1-CB 3.46Å; T95-K104 VanDerWaalsContact OG1-CG 3.23Å; T95-K104 WeakPolarHBondContact OG1-CG 3.08Å; T95-K104 PolarHBondContact OG1-N 3.5Å; D102-K104 PolarHBondContact O-N 3.42Å |
| 105 | C | 96.2 | Very high | 96.3 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | 180 | -58.2 | 0 | 0 | 0 | 0 | 111 | C87 M91 R92 | C87-C105 WeakPolarHBondContact CA-SG 3.38Å; C87-C105 HydrophobicContact CB-CB 3.84Å; C87-C105 WeakPolarHBondContact CB-SG 3.07Å; C87-C105 WeakPolarHBondContact SG-CA 3.48Å; C87-C105 WeakPolarHBondContact SG-CB 3.07Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.88Å; M91-C105 HydrophobicContact CB-CB 4.28Å; M91-C105 HydrophobicContact SD-CB 4.29Å; R92-C105 WeakPolarHBondContact O-CA 3.03Å |
| 106 | V | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 167.1 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | M91 R92 E94 P138 Y139 | M91-V106 CarbonylContact C-O 3.48Å; M91-V106 WeakPolarHBondContact CA-O 3.27Å; R92-V106 HydrophobicContact CG-CG2 3.93Å; R92-V106 PolarHBondContact N-O 2.98Å; R92-V106 PolarHBondContact O-N 3.46Å; E94-V106 HydrophobicContact CB-CB 4.45Å; E94-V106 HydrophobicContact CB-CG1 3.83Å; E94-V106 HydrophobicContact CB-CG2 3.81Å; E94-V106 HydrophobicContact CG-CG1 4.42Å; E94-V106 WeakPolarHBondContact OE2-CG1 3.32Å; V106-P138 HydrophobicContact CB-CB 3.85Å; V106-P138 HydrophobicContact CB-CG 4.47Å; V106-P138 HydrophobicContact CG1-CB 4.45Å; V106-P138 HydrophobicContact CG2-CB 4.25Å; V106-P138 HydrophobicContact CG2-CG 4.4Å; V106-Y139 WeakPolarHBondContact CG1-OH 3.26Å |
| 107 | C | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 146.9 | 176.8 | -63 | 0 | 0 | 0 | 0 | 112.2 | R92 F111 F113 C120 | R92-C107 PolarHBondContact NE-O 3.17Å; C107-F111 HydrophobicContact CB-CB 3.88Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; C107-F113 VanDerWaalsContact SG-CA 3.57Å; C107-F113 PolarHBondContact SG-N 3.36Å; C107-F113 VanDerWaalsContact SG-N 3.39Å; C107-C120 WeakPolarHBondContact CA-SG 3.21Å; C107-C120 HydrophobicContact CB-CB 3.83Å; C107-C120 WeakPolarHBondContact CB-SG 3.44Å; C107-C120 VanDerWaalsContact SG-CA 3.53Å; C107-C120 WeakPolarHBondContact SG-CB 3.43Å; C107-C120 CovalentContact SG-SG 2.04Å; C107-C120 PolarHBondContact SG-SG 3.31Å |
| 108 | K | 96.5 | Very high | 96.1 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 163.1 | 174.3 | -81.3 | 174.8 | 179.6 | 170.2 | 0 | 110.9 | G89 L90 M91 R92 N110 F111 | G89-K108 WeakPolarHBondContact O-CE 3.4Å; G89-K108 PolarHBondContact O-NZ 3.22Å; L90-K108 WeakPolarHBondContact O-CB 3.37Å; L90-K108 WeakPolarHBondContact O-CG 3.33Å; L90-K108 PolarHBondContact O-N 3.48Å; M91-K108 WeakPolarHBondContact O-CE 3.37Å; R92-K108 HydrophobicContact CB-CG 4.1Å; K108-N110 PolarHBondContact O-N 3.27Å; K108-F111 HydrophobicContact CB-CD2 4.15Å; K108-F111 PolarHBondContact O-N 2.96Å |
| 109 | Y | 94.1 | Very high | 96 | Very high | 177 Ų | 177 | 66.9 Ų | 66.9 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 139.8 | 172 | -60.2 | -69.4 | 0 | 0 | 0 | 110.7 | F111 | Y109-F111 WeakPolarHBondContact O-CD2 3.33Å; Y109-F111 PolarHBondContact O-N 3.12Å |
| 110 | N | 93.8 | Very high | 96 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 20.1 | -174.8 | -45.6 | -25.3 | 0 | 0 | 0 | 114.2 | K108 P122 C123 Y158 | K108-N110 PolarHBondContact O-N 3.27Å; N110-P122 WeakPolarHBondContact O-CA 3.38Å; N110-C123 WeakPolarHBondContact CA-SG 3.05Å; N110-C123 PolarHBondContact O-N 3.44Å; N110-C123 PolarHBondContact O-SG 2.95Å; N110-Y158 PolarHBondContact ND2-OH 3.32Å; N110-Y158 WeakPolarHBondContact OD1-CE2 3.3Å |
| 111 | F | 96.6 | Very high | 96 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 23% | 0.232 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.7 | 168.5 | -66.6 | -102.1 | 0 | 0 | 0 | 110.6 | L90 C107 K108 Y109 C120 E121 P122 C123 | L90-F111 HydrophobicContact CD1-CD1 3.93Å; L90-F111 HydrophobicContact CD1-CE1 3.69Å; L90-F111 HydrophobicContact CD1-CZ 4.44Å; L90-F111 HydrophobicContact CD2-CD1 4.49Å; L90-F111 HydrophobicContact CD2-CE1 3.99Å; L90-F111 HydrophobicContact CD2-CE2 4.33Å; L90-F111 HydrophobicContact CD2-CZ 3.91Å; L90-F111 HydrophobicContact CG-CE1 4.41Å; C107-F111 HydrophobicContact CB-CB 3.88Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; K108-F111 HydrophobicContact CB-CD2 4.15Å; K108-F111 PolarHBondContact O-N 2.96Å; Y109-F111 WeakPolarHBondContact O-CD2 3.33Å; Y109-F111 PolarHBondContact O-N 3.12Å; F111-C120 HydrophobicContact CB-CB 4.26Å; F111-C120 HydrophobicContact CD1-CB 4.49Å; F111-E121 CarbonylContact C-O 3.58Å; F111-E121 WeakPolarHBondContact CA-O 3.49Å; F111-E121 WeakPolarHBondContact CB-O 3.43Å; F111-E121 VanDerWaalsContact CD1-C 3.42Å; F111-E121 WeakPolarHBondContact CD1-O 3.46Å; F111-P122 HydrophobicContact CD1-CB 4.29Å; F111-P122 HydrophobicContact CE1-CB 4.02Å; F111-C123 PolarHBondContact N-SG 3.5Å; F111-C123 VanDerWaalsContact N-SG 3.4Å |
| 112 | Y | 96.6 | Very high | 96 | Very high | 33 Ų | 33 | 66.1 Ų | 66.1 | 13% | 0.129 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.6 | 172.3 | 74.7 | -80.8 | 0 | 0 | 0 | 110.4 | N114 C120 E121 D137 D141 | Y112-N114 HydrophobicContact CE2-CB 3.84Å; Y112-N114 PolarHBondContact O-N 3.42Å; Y112-C120 CarbonylContact O-C 3.46Å; Y112-C120 VanDerWaalsContact O-CA 3.32Å; Y112-C120 WeakPolarHBondContact O-CA 3.38Å; Y112-E121 HydrophobicContact CD1-CB 4.46Å; Y112-E121 WeakPolarHBondContact CD1-O 3.47Å; Y112-E121 HydrophobicContact CE1-CB 3.9Å; Y112-E121 PolarHBondContact N-O 3.43Å; Y112-E121 PolarHBondContact O-N 2.93Å; Y112-E121 PolarHBondContact OH-OE2 3.43Å; Y112-D137 VanDerWaalsContact CB-O 3.24Å; Y112-D137 WeakPolarHBondContact CB-O 3.23Å; Y112-D141 HydrophobicContact CD1-CB 3.78Å; Y112-D141 HydrophobicContact CD2-CB 4.11Å; Y112-D141 HydrophobicContact CE1-CB 3.57Å; Y112-D141 WeakPolarHBondContact CE1-OD1 3.22Å; Y112-D141 HydrophobicContact CE2-CB 3.92Å; Y112-D141 HydrophobicContact CG-CB 4.04Å |
| 113 | F | 97.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.6 | 177 | -173.1 | -103.3 | 0 | 0 | 0 | 110.6 | C107 S115 P138 | C107-F113 VanDerWaalsContact SG-CA 3.57Å; C107-F113 PolarHBondContact SG-N 3.36Å; C107-F113 VanDerWaalsContact SG-N 3.39Å; F113-S115 PolarHBondContact O-N 3.46Å; F113-P138 WeakPolarHBondContact CB-O 3.04Å; F113-P138 PolarHBondContact N-O 3.07Å |
| 114 | N | 96.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.5 | 174 | -175.9 | -27.3 | 0 | 0 | 0 | 109.5 | Y112 I116 S117 G118 Q119 E121 | Y112-N114 HydrophobicContact CE2-CB 3.84Å; Y112-N114 PolarHBondContact O-N 3.42Å; N114-I116 PolarHBondContact O-N 3.44Å; N114-I116 WeakPolarHBondContact OD1-CB 3.48Å; N114-I116 PolarHBondContact OD1-N 3Å; N114-S117 WeakPolarHBondContact CB-OG 3.38Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 3.15Å; N114-G118 WeakPolarHBondContact O-CA 3.11Å; N114-G118 PolarHBondContact O-N 3.32Å; N114-Q119 PolarHBondContact N-O 3.03Å; N114-Q119 PolarHBondContact O-N 3.4Å; N114-E121 HydrophobicContact CB-CB 4.5Å; N114-E121 HydrophobicContact CB-CG 4.17Å; N114-E121 VanDerWaalsContact ND2-CD 3.31Å; N114-E121 PolarHBondContact ND2-OE1 3.49Å; N114-E121 PolarHBondContact ND2-OE2 2.86Å |
| 115 | S | 94 | Very high | 95.9 | Very high | 103 Ų | 103 | 65.6 Ų | 65.6 | 72% | 0.72 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.4 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | F113 | F113-S115 PolarHBondContact O-N 3.46Š|
| 116 | I | 94.7 | Very high | 96 | Very high | 160 Ų | 160 | 64 Ų | 64 | 82% | 0.821 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -46 | 179.2 | -55.6 | 173.3 | 0 | 0 | 0 | 110.3 | N114 | N114-I116 PolarHBondContact O-N 3.44Å; N114-I116 WeakPolarHBondContact OD1-CB 3.48Å; N114-I116 PolarHBondContact OD1-N 3Å |
| 117 | S | 94.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.8 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 113 | N114 Q119 E121 | N114-S117 WeakPolarHBondContact CB-OG 3.38Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 3.15Å; S117-Q119 VanDerWaalsContact C-N 3.25Å; S117-Q119 PolarHBondContact O-N 2.8Å; S117-E121 VanDerWaalsContact CB-OE1 3.26Å; S117-E121 WeakPolarHBondContact CB-OE1 3.24Å; S117-E121 PolarHBondContact OG-OE1 2.88Å |
| 118 | G | 93.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 22 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N114 | N114-G118 WeakPolarHBondContact O-CA 3.11Å; N114-G118 PolarHBondContact O-N 3.32Å |
| 119 | Q | 95.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 66.7 Ų | 66.7 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 160.1 | -171.7 | -65.5 | -179.3 | 42 | 0 | 0 | 111.7 | N114 S117 | N114-Q119 PolarHBondContact N-O 3.03Å; N114-Q119 PolarHBondContact O-N 3.4Å; S117-Q119 VanDerWaalsContact C-N 3.25Å; S117-Q119 PolarHBondContact O-N 2.8Å |
| 120 | C | 97.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 10% | 0.101 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.5 | 171.4 | -66.6 | 0 | 0 | 0 | 0 | 110 | L90 C107 F111 Y112 | L90-C120 HydrophobicContact CB-CB 3.75Å; L90-C120 HydrophobicContact CD1-CB 4.33Å; L90-C120 WeakPolarHBondContact CD1-O 3.38Å; C107-C120 WeakPolarHBondContact CA-SG 3.21Å; C107-C120 HydrophobicContact CB-CB 3.83Å; C107-C120 WeakPolarHBondContact CB-SG 3.44Å; C107-C120 VanDerWaalsContact SG-CA 3.53Å; C107-C120 WeakPolarHBondContact SG-CB 3.43Å; C107-C120 CovalentContact SG-SG 2.04Å; C107-C120 PolarHBondContact SG-SG 3.31Å; F111-C120 HydrophobicContact CB-CB 4.26Å; F111-C120 HydrophobicContact CD1-CB 4.49Å; Y112-C120 CarbonylContact O-C 3.46Å; Y112-C120 VanDerWaalsContact O-CA 3.32Å; Y112-C120 WeakPolarHBondContact O-CA 3.38Å |
| 121 | E | 96.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 147.8 | 178.7 | -74.2 | 178 | -167.2 | 0 | 0 | 110.3 | F111 Y112 N114 S117 | F111-E121 CarbonylContact C-O 3.58Å; F111-E121 WeakPolarHBondContact CA-O 3.49Å; F111-E121 WeakPolarHBondContact CB-O 3.43Å; F111-E121 VanDerWaalsContact CD1-C 3.42Å; F111-E121 WeakPolarHBondContact CD1-O 3.46Å; Y112-E121 HydrophobicContact CD1-CB 4.46Å; Y112-E121 WeakPolarHBondContact CD1-O 3.47Å; Y112-E121 HydrophobicContact CE1-CB 3.9Å; Y112-E121 PolarHBondContact N-O 3.43Å; Y112-E121 PolarHBondContact O-N 2.93Å; Y112-E121 PolarHBondContact OH-OE2 3.43Å; N114-E121 HydrophobicContact CB-CB 4.5Å; N114-E121 HydrophobicContact CB-CG 4.17Å; N114-E121 VanDerWaalsContact ND2-CD 3.31Å; N114-E121 PolarHBondContact ND2-OE1 3.49Å; N114-E121 PolarHBondContact ND2-OE2 2.86Å; S117-E121 VanDerWaalsContact CB-OE1 3.26Å; S117-E121 WeakPolarHBondContact CB-OE1 3.24Å; S117-E121 PolarHBondContact OG-OE1 2.88Å |
| 122 | P | 96.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 141.9 | 178.4 | 28.1 | -34.3 | 0 | 0 | 0 | 109.9 | N110 F111 | N110-P122 WeakPolarHBondContact O-CA 3.38Å; F111-P122 HydrophobicContact CD1-CB 4.29Å; F111-P122 HydrophobicContact CE1-CB 4.02Å |
| 123 | C | 96.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 141.7 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | N110 F111 V125 C136 D141 | N110-C123 WeakPolarHBondContact CA-SG 3.05Å; N110-C123 PolarHBondContact O-N 3.44Å; N110-C123 PolarHBondContact O-SG 2.95Å; F111-C123 PolarHBondContact N-SG 3.5Å; F111-C123 VanDerWaalsContact N-SG 3.4Å; C123-V125 PolarHBondContact O-N 2.01Å; C123-C136 HydrophobicContact CB-CB 3.52Å; C123-C136 WeakPolarHBondContact CB-SG 3.07Å; C123-C136 WeakPolarHBondContact SG-CB 3.48Å; C123-C136 CovalentContact SG-SG 2.01Å; C123-C136 PolarHBondContact SG-SG 3.39Å; C123-D141 VanDerWaalsContact CA-OD1 3.29Å; C123-D141 WeakPolarHBondContact CA-OD1 3.44Å |
| 124 | T | 96.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.2 | 174 | -68.1 | 0 | 0 | 0 | 0 | 109.9 | D141 T142 | T124-D141 WeakPolarHBondContact CB-OD2 2.94Å; T124-D141 PolarHBondContact N-OD1 3.34Å; T124-D141 PolarHBondContact OG1-OD2 3.39Å; T124-T142 WeakPolarHBondContact O-CB 3.48Å; T124-T142 PolarHBondContact O-OG1 3.44Å |
| 125 | V | 97 | Very high | 96.4 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -94 | 126 | 173 | -179 | 0 | 0 | 0 | 0 | 107.4 | C123 E156 | C123-V125 PolarHBondContact O-N 2.01Å; V125-E156 HydrophobicContact CG1-CB 3.7Å |
| 126 | C | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 126.4 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | Q130 V132 C144 E156 S157 | C126-Q130 HydrophobicContact CB-CB 4.27Å; C126-V132 HydrophobicContact CB-CG2 4.47Å; C126-C144 WeakPolarHBondContact CA-SG 3.29Å; C126-C144 HydrophobicContact CB-CB 3.81Å; C126-C144 WeakPolarHBondContact CB-SG 3.12Å; C126-C144 VanDerWaalsContact SG-CA 3.54Å; C126-C144 WeakPolarHBondContact SG-CB 3.38Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.3Å; C126-E156 CarbonylContact O-C 3.48Å; C126-E156 WeakPolarHBondContact O-CA 3.07Å; C126-S157 WeakPolarHBondContact CB-O 3.33Å; C126-S157 PolarHBondContact N-O 3.41Å; C126-S157 PolarHBondContact O-N 3.41Å; C126-S157 VanDerWaalsContact O-N 3.07Å |
| 127 | P | 97.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 171.5 | -180 | 30.9 | -36.9 | 0 | 0 | 0 | 111.9 | G129 Q130 | P127-G129 PolarHBondContact O-N 3.47Å; P127-Q130 HydrophobicContact CG-CB 4.16Å; P127-Q130 HydrophobicContact CG-CG 4.1Å; P127-Q130 VanDerWaalsContact CG-OE1 3.25Å; P127-Q130 PolarHBondContact O-N 2.73Å; P127-Q130 VanDerWaalsContact O-O 3.09Å |
| 128 | L | 97.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 135.9 | 170.3 | -62 | 174.6 | 0 | 0 | 0 | 111 | Q130 D154 R155 E156 I182 | L128-Q130 PolarHBondContact O-N 2.61Å; L128-D154 VanDerWaalsContact CD2-O 3.24Å; L128-D154 WeakPolarHBondContact CD2-O 3.26Å; L128-R155 VanDerWaalsContact CD2-CA 3.46Å; L128-E156 HydrophobicContact CG-CG 4.38Å; L128-I182 HydrophobicContact CB-CG2 4.07Å |
| 129 | G | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -4.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P127 C147 S153 P181 | P127-G129 PolarHBondContact O-N 3.47Å; G129-C147 PolarHBondContact O-N 2.79Å; G129-S153 PolarHBondContact N-O 3.28Å; G129-S153 VanDerWaalsContact N-O 3.15Å; G129-P181 VanDerWaalsContact CA-O 3.31Å; G129-P181 WeakPolarHBondContact CA-O 3.28Å |
| 130 | Q | 98.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.8 | 172.6 | -63.5 | -171.4 | -22.5 | 0 | 0 | 110.9 | C126 P127 L128 C144 E145 E146 S153 | C126-Q130 HydrophobicContact CB-CB 4.27Å; P127-Q130 HydrophobicContact CG-CB 4.16Å; P127-Q130 HydrophobicContact CG-CG 4.1Å; P127-Q130 VanDerWaalsContact CG-OE1 3.25Å; P127-Q130 PolarHBondContact O-N 2.73Å; P127-Q130 VanDerWaalsContact O-O 3.09Å; L128-Q130 PolarHBondContact O-N 2.61Å; Q130-C144 HydrophobicContact CB-CB 4.34Å; Q130-E145 CarbonylContact C-O 3.42Å; Q130-E145 WeakPolarHBondContact CA-O 3.38Å; Q130-E145 VanDerWaalsContact CB-O 3.26Å; Q130-E145 WeakPolarHBondContact CB-O 3.19Å; Q130-E146 HydrophobicContact CG-CG 4.28Å; Q130-S153 WeakPolarHBondContact O-CB 3.31Å; Q130-S153 PolarHBondContact O-OG 3.44Å |
| 131 | G | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 160.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y133 C144 E145 C162 | G131-Y133 PolarHBondContact O-N 3.43Å; G131-C144 CarbonylContact O-C 3.55Å; G131-C144 WeakPolarHBondContact O-CA 3.33Å; G131-E145 PolarHBondContact N-O 3.49Å; G131-E145 PolarHBondContact O-N 2.78Å; G131-C162 PolarHBondContact N-SG 2.9Å; G131-C162 VanDerWaalsContact N-SG 3.41Å |
| 132 | V | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 114 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | C126 S134 T142 Y158 E160 P161 | C126-V132 HydrophobicContact CB-CG2 4.47Å; V132-S134 WeakPolarHBondContact CG1-O 3.04Å; V132-T142 HydrophobicContact CG1-CG2 3.95Å; V132-T142 HydrophobicContact CG2-CG2 3.99Å; V132-Y158 VanDerWaalsContact CG2-C 3.4Å; V132-E160 WeakPolarHBondContact CG2-O 3.38Å; V132-E160 PolarHBondContact N-O 3.2Å; V132-P161 WeakPolarHBondContact O-CB 3.4Å |
| 133 | Y | 96.8 | Very high | 96.6 | Very high | 164 Ų | 164 | 56 Ų | 56 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -45.3 | 170.6 | 177.4 | -103.2 | 0 | 0 | 0 | 111.5 | G131 I143 E145 | G131-Y133 PolarHBondContact O-N 3.43Å; Y133-I143 WeakPolarHBondContact CB-O 3.49Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 PolarHBondContact N-O 2.73Å; Y133-E145 VanDerWaalsContact CD2-OE2 3.29Å; Y133-E145 WeakPolarHBondContact CD2-OE2 3.07Å |
| 134 | S | 96.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.4 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | V132 T142 I143 | V132-S134 WeakPolarHBondContact CG1-O 3.04Å; S134-T142 WeakPolarHBondContact O-CA 3.47Å; S134-I143 PolarHBondContact N-O 2.99Å; S134-I143 PolarHBondContact O-N 3.11Å |
| 135 | H | 95.5 | Very high | 96.7 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | trans | -65.8 | 148.5 | 176.4 | -61.5 | -61.6 | 0 | 0 | 0 | 111.3 | L159 | H135-L159 PolarHBondContact CE1-O 2.87Å; H135-L159 VanDerWaalsContact CE1-O 3.28Å | ||
| 136 | C | 95.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 61 Ų | 61 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | trans | -62.1 | 136.4 | 168.7 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | C123 H140 T142 | C123-C136 HydrophobicContact CB-CB 3.52Å; C123-C136 WeakPolarHBondContact CB-SG 3.07Å; C123-C136 WeakPolarHBondContact SG-CB 3.48Å; C123-C136 CovalentContact SG-SG 2.01Å; C123-C136 PolarHBondContact SG-SG 3.39Å; C136-H140 PolarHBondContact SG-O 2.8Å; C136-T142 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 137 | D | 94.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | trans | -125.7 | 172.8 | 173 | 77.2 | 49.1 | 0 | 0 | 0 | 109.9 | Y112 Y139 H140 | Y112-D137 VanDerWaalsContact CB-O 3.24Å; Y112-D137 WeakPolarHBondContact CB-O 3.23Å; D137-Y139 PolarHBondContact O-N 3.09Å; D137-Y139 VanDerWaalsContact OD1-CA 3.28Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.49Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Y139 PolarHBondContact OD1-N 2.98Å; D137-H140 VanDerWaalsContact CG-ND1 3.34Å; D137-H140 PolarHBondContact N-O 2.91Å; D137-H140 PolarHBondContact O-N 2.04Å; D137-H140 IonicContact OD1-CG 3.74Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD1-ND1 3.11Å; D137-H140 PolarHBondContact OD1-ND1 3.5Å; D137-H140 VanDerWaalsContact OD1-ND1 3.11Å; D137-H140 IonicContact OD2-CE1 3.9Å; D137-H140 IonicContact OD2-CG 3.56Å; D137-H140 IonicContact OD2-ND1 2.8Å; D137-H140 PolarHBondContact OD2-ND1 2.86Å | ||
| 138 | P | 95.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -63.1 | -11.5 | -176.1 | -19.8 | 31.6 | 0 | 0 | 0 | 115 | V106 F113 | V106-P138 HydrophobicContact CB-CB 3.85Å; V106-P138 HydrophobicContact CB-CG 4.47Å; V106-P138 HydrophobicContact CG1-CB 4.45Å; V106-P138 HydrophobicContact CG2-CB 4.25Å; V106-P138 HydrophobicContact CG2-CG 4.4Å; F113-P138 WeakPolarHBondContact CB-O 3.04Å; F113-P138 PolarHBondContact N-O 3.07Å |
| 139 | Y | 94.3 | Very high | 96.3 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -120 | -19.2 | -174.7 | -52.1 | -75.6 | 0 | 0 | 0 | 113.1 | E94 V106 D137 | E94-Y139 PolarHBondContact OE2-OH 2.04Å; V106-Y139 WeakPolarHBondContact CG1-OH 3.26Å; D137-Y139 PolarHBondContact O-N 3.09Å; D137-Y139 VanDerWaalsContact OD1-CA 3.28Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.49Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Y139 PolarHBondContact OD1-N 2.98Å |
| 140 | H | 95.2 | Very high | 96.2 | Very high | 117 Ų | 117 | 71.9 Ų | 71.9 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -134.2 | 141.2 | -176.8 | -48.7 | 97.6 | 0 | 0 | 0 | 112.1 | C136 D137 | C136-H140 PolarHBondContact SG-O 2.8Å; D137-H140 VanDerWaalsContact CG-ND1 3.34Å; D137-H140 PolarHBondContact N-O 2.91Å; D137-H140 PolarHBondContact O-N 2.04Å; D137-H140 IonicContact OD1-CG 3.74Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD1-ND1 3.11Å; D137-H140 PolarHBondContact OD1-ND1 3.5Å; D137-H140 VanDerWaalsContact OD1-ND1 3.11Å; D137-H140 IonicContact OD2-CE1 3.9Å; D137-H140 IonicContact OD2-CG 3.56Å; D137-H140 IonicContact OD2-ND1 2.8Å; D137-H140 PolarHBondContact OD2-ND1 2.86Å |
| 141 | D | 96.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 71 Ų | 71 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | trans | -71.3 | 163.5 | 176.7 | -162.3 | 9.5 | 0 | 0 | 0 | 112.5 | Y112 C123 T124 I143 | Y112-D141 HydrophobicContact CD1-CB 3.78Å; Y112-D141 HydrophobicContact CD2-CB 4.11Å; Y112-D141 HydrophobicContact CE1-CB 3.57Å; Y112-D141 WeakPolarHBondContact CE1-OD1 3.22Å; Y112-D141 HydrophobicContact CE2-CB 3.92Å; Y112-D141 HydrophobicContact CG-CB 4.04Å; C123-D141 VanDerWaalsContact CA-OD1 3.29Å; C123-D141 WeakPolarHBondContact CA-OD1 3.44Å; T124-D141 WeakPolarHBondContact CB-OD2 2.94Å; T124-D141 PolarHBondContact N-OD1 3.34Å; T124-D141 PolarHBondContact OG1-OD2 3.39Å; D141-I143 PolarHBondContact O-N 3.08Å | ||
| 142 | T | 96.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | trans | -57.8 | 135 | 166.9 | -47.6 | 0 | 0 | 0 | 0 | 110.1 | T124 V132 S134 C136 | T124-T142 WeakPolarHBondContact O-CB 3.48Å; T124-T142 PolarHBondContact O-OG1 3.44Å; V132-T142 HydrophobicContact CG1-CG2 3.95Å; V132-T142 HydrophobicContact CG2-CG2 3.99Å; S134-T142 WeakPolarHBondContact O-CA 3.47Å; C136-T142 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 143 | I | 97.4 | Very high | 96.2 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.1 | 170.1 | -56.3 | 177.5 | 0 | 0 | 0 | 108.1 | Y133 S134 D141 | Y133-I143 WeakPolarHBondContact CB-O 3.49Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 PolarHBondContact N-O 2.73Å; S134-I143 PolarHBondContact N-O 2.99Å; S134-I143 PolarHBondContact O-N 3.11Å; D141-I143 PolarHBondContact O-N 3.08Å |
| 144 | C | 98.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.5 | 178.7 | -55 | 0 | 0 | 0 | 0 | 111.1 | C126 Q130 G131 | C126-C144 WeakPolarHBondContact CA-SG 3.29Å; C126-C144 HydrophobicContact CB-CB 3.81Å; C126-C144 WeakPolarHBondContact CB-SG 3.12Å; C126-C144 VanDerWaalsContact SG-CA 3.54Å; C126-C144 WeakPolarHBondContact SG-CB 3.38Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.3Å; Q130-C144 HydrophobicContact CB-CB 4.34Å; G131-C144 CarbonylContact O-C 3.55Å; G131-C144 WeakPolarHBondContact O-CA 3.33Å |
| 145 | E | 97.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.7 | 172.1 | 67.8 | -176.9 | 161.7 | 0 | 0 | 110.9 | Q130 G131 Y133 | Q130-E145 CarbonylContact C-O 3.42Å; Q130-E145 WeakPolarHBondContact CA-O 3.38Å; Q130-E145 VanDerWaalsContact CB-O 3.26Å; Q130-E145 WeakPolarHBondContact CB-O 3.19Å; G131-E145 PolarHBondContact N-O 3.49Å; G131-E145 PolarHBondContact O-N 2.78Å; Y133-E145 VanDerWaalsContact CD2-OE2 3.29Å; Y133-E145 WeakPolarHBondContact CD2-OE2 3.07Å |
| 146 | E | 98.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 137.8 | 174.5 | -64.1 | -176.7 | 164.2 | 0 | 0 | 110.7 | Q130 V148 | Q130-E146 HydrophobicContact CG-CG 4.28Å; E146-V148 PolarHBondContact O-N 2.92Å |
| 147 | C | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | trans | -75.2 | 114.8 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | G129 T151 C162 P181 | G129-C147 PolarHBondContact O-N 2.79Å; C147-T151 WeakPolarHBondContact CB-OG1 3.43Å; C147-C162 WeakPolarHBondContact CA-SG 3.42Å; C147-C162 HydrophobicContact CB-CB 3.87Å; C147-C162 WeakPolarHBondContact CB-SG 3.31Å; C147-C162 WeakPolarHBondContact SG-CB 3.43Å; C147-C162 CovalentContact SG-SG 2.05Å; C147-C162 PolarHBondContact SG-SG 2.77Å; C147-P181 HydrophobicContact CB-CB 4.28Å | ||
| 148 | V | 95.7 | Very high | 95.9 | Very high | 87 Ų | 87 | 72.3 Ų | 72.3 | 53% | 0.527 | 35% | 0.353 | S | S | . | . | trans | -123.7 | 172.9 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | E146 T151 | E146-V148 PolarHBondContact O-N 2.92Å; V148-T151 PolarHBondContact N-OG1 2.87Å; V148-T151 WeakPolarHBondContact O-CB 3.24Å; V148-T151 WeakPolarHBondContact O-CG2 3.47Å; V148-T151 PolarHBondContact O-N 3.15Å; V148-T151 PolarHBondContact O-OG1 2.9Å | ||
| 149 | D | 91.2 | Very high | 95.8 | Very high | 149 Ų | 149 | 75.4 Ų | 75.4 | 80% | 0.797 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 53.9 | 57 | 171.3 | -59.2 | -35.6 | 0 | 0 | 0 | 115.1 | T151 | D149-T151 PolarHBondContact O-N 3.33Š|
| 150 | E | 93.3 | Very high | 95.9 | Very high | 143 Ų | 143 | 72 Ų | 72 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 59.1 | 45 | -180 | -52.8 | -60.7 | 134 | 0 | 0 | 113 | C165 | E150-C165 PolarHBondContact O-N 2.96Å; E150-C165 PolarHBondContact O-SG 3.29Å |
| 151 | T | 97.6 | Very high | 96 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.7 | 170 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | C147 V148 D149 L163 | C147-T151 WeakPolarHBondContact CB-OG1 3.43Å; V148-T151 PolarHBondContact N-OG1 2.87Å; V148-T151 WeakPolarHBondContact O-CB 3.24Å; V148-T151 WeakPolarHBondContact O-CG2 3.47Å; V148-T151 PolarHBondContact O-N 3.15Å; V148-T151 PolarHBondContact O-OG1 2.9Å; D149-T151 PolarHBondContact O-N 3.33Å; T151-L163 CarbonylContact C-O 3.47Å; T151-L163 WeakPolarHBondContact CA-O 3.18Å; T151-L163 VanDerWaalsContact CB-O 3.3Å; T151-L163 WeakPolarHBondContact CB-O 3.35Å |
| 152 | F | 97.8 | Very high | 96 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.3 | -179.7 | 77.9 | -79.7 | 0 | 0 | 0 | 112.9 | D154 L163 T180 P181 D184 | F152-D154 HydrophobicContact CD2-CB 4.07Å; F152-D154 HydrophobicContact CE2-CB 3.98Å; F152-L163 HydrophobicContact CD1-CB 4.42Å; F152-L163 WeakPolarHBondContact CD1-O 3.41Å; F152-L163 HydrophobicContact CE1-CB 4.06Å; F152-L163 HydrophobicContact CZ-CB 4.3Å; F152-L163 PolarHBondContact N-O 2.86Å; F152-L163 PolarHBondContact O-N 3.06Å; F152-T180 WeakPolarHBondContact CB-O 3.44Å; F152-P181 CarbonylContact C-O 3.57Å; F152-P181 WeakPolarHBondContact CA-O 3.26Å; F152-D184 HydrophobicContact CD1-CB 4.08Å; F152-D184 HydrophobicContact CD2-CB 4.33Å; F152-D184 HydrophobicContact CE1-CB 3.57Å; F152-D184 VanDerWaalsContact CE1-CG 3.45Å; F152-D184 HydrophobicContact CE2-CB 3.85Å; F152-D184 HydrophobicContact CG-CB 4.45Å; F152-D184 HydrophobicContact CZ-CB 3.45Å; F152-D184 VanDerWaalsContact CZ-CB 3.45Å |
| 153 | S | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.028 | 36% | 0.361 | C | S | . | . | trans | -137.6 | 108.6 | 170.9 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | G129 Q130 R155 P181 | G129-S153 PolarHBondContact N-O 3.28Å; G129-S153 VanDerWaalsContact N-O 3.15Å; Q130-S153 WeakPolarHBondContact O-CB 3.31Å; Q130-S153 PolarHBondContact O-OG 3.44Å; S153-R155 PolarHBondContact OG-O 2.97Å; S153-P181 PolarHBondContact N-O 3.19Å | ||
| 154 | D | 96.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | trans | -91.8 | 0.8 | -172 | 74.3 | -12.5 | 0 | 0 | 0 | 114.3 | L128 F152 I182 | L128-D154 VanDerWaalsContact CD2-O 3.24Å; L128-D154 WeakPolarHBondContact CD2-O 3.26Å; F152-D154 HydrophobicContact CD2-CB 4.07Å; F152-D154 HydrophobicContact CE2-CB 3.98Å; D154-I182 WeakPolarHBondContact CA-O 3.22Å | ||
| 155 | R | 95.6 | Very high | 96 | Very high | 118 Ų | 118 | 70.7 Ų | 70.7 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -147.8 | 156.8 | -178.3 | 70.8 | -170.9 | 73.8 | 166.1 | -8.1 | 112.2 | L128 S153 E160 | L128-R155 VanDerWaalsContact CD2-CA 3.46Å; S153-R155 PolarHBondContact OG-O 2.97Å; R155-E160 WeakPolarHBondContact CD-OE2 3.4Å; R155-E160 WeakPolarHBondContact CG-OE2 3.17Å; R155-E160 IonicContact CZ-OE1 3.73Å; R155-E160 IonicContact CZ-OE2 3.62Å; R155-E160 IonicContact NE-OE1 3.94Å; R155-E160 IonicContact NE-OE2 3.3Å; R155-E160 PolarHBondContact NE-OE2 3.4Å; R155-E160 IonicContact NH1-OE1 2.92Å; R155-E160 PolarHBondContact NH1-OE1 2.97Å; R155-E160 IonicContact NH1-OE2 3.58Å |
| 156 | E | 96.8 | Very high | 95.9 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 63% | 0.631 | 37% | 0.365 | S | S | * | . | trans | -77.2 | 123.8 | 171.7 | -56 | -175 | 171.8 | 0 | 0 | 109.8 | V125 C126 L128 | V125-E156 HydrophobicContact CG1-CB 3.7Å; C126-E156 CarbonylContact O-C 3.48Å; C126-E156 WeakPolarHBondContact O-CA 3.07Å; L128-E156 HydrophobicContact CG-CG 4.38Å | ||
| 157 | S | 93.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 71 Ų | 71 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -149.5 | 147.1 | -174.5 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | C126 L159 E160 | C126-S157 WeakPolarHBondContact CB-O 3.33Å; C126-S157 PolarHBondContact N-O 3.41Å; C126-S157 PolarHBondContact O-N 3.41Å; C126-S157 VanDerWaalsContact O-N 3.07Å; S157-L159 PolarHBondContact OG-N 2.83Å; S157-L159 VanDerWaalsContact OG-N 3.09Å; S157-E160 PolarHBondContact OG-N 2.87Å |
| 158 | Y | 91.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 71.7 Ų | 71.7 | 30% | 0.302 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -100.1 | 3.1 | 169.3 | 62 | -89.7 | 0 | 0 | 0 | 112 | N110 V132 | N110-Y158 PolarHBondContact ND2-OH 3.32Å; N110-Y158 WeakPolarHBondContact OD1-CE2 3.3Å; V132-Y158 VanDerWaalsContact CG2-C 3.4Å |
| 159 | L | 92.9 | Very high | 95.3 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -126.5 | -25.5 | 179.6 | -61.6 | 176.1 | 0 | 0 | 0 | 115.2 | H135 S157 P161 | H135-L159 PolarHBondContact CE1-O 2.87Å; H135-L159 VanDerWaalsContact CE1-O 3.28Å; S157-L159 PolarHBondContact OG-N 2.83Å; S157-L159 VanDerWaalsContact OG-N 3.09Å; L159-P161 WeakPolarHBondContact O-CD 3.46Å |
| 160 | E | 95.8 | Very high | 95 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 119.9 | -171.4 | -67.3 | -173.7 | -174.7 | 0 | 0 | 110.7 | V132 R155 S157 | V132-E160 WeakPolarHBondContact CG2-O 3.38Å; V132-E160 PolarHBondContact N-O 3.2Å; R155-E160 WeakPolarHBondContact CD-OE2 3.4Å; R155-E160 WeakPolarHBondContact CG-OE2 3.17Å; R155-E160 IonicContact CZ-OE1 3.73Å; R155-E160 IonicContact CZ-OE2 3.62Å; R155-E160 IonicContact NE-OE1 3.94Å; R155-E160 IonicContact NE-OE2 3.3Å; R155-E160 PolarHBondContact NE-OE2 3.4Å; R155-E160 IonicContact NH1-OE1 2.92Å; R155-E160 PolarHBondContact NH1-OE1 2.97Å; R155-E160 IonicContact NH1-OE2 3.58Å; S157-E160 PolarHBondContact OG-N 2.87Å |
| 161 | P | 97.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 76.4 Ų | 76.4 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 172.2 | 169.8 | 33.4 | -35.5 | 0 | 0 | 0 | 110.7 | V132 L159 L163 | V132-P161 WeakPolarHBondContact O-CB 3.4Å; L159-P161 WeakPolarHBondContact O-CD 3.46Å; P161-L163 PolarHBondContact O-N 3.35Å |
| 162 | C | 97.9 | Very high | 94 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 127.6 | 171.3 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | G131 C147 | G131-C162 PolarHBondContact N-SG 2.9Å; G131-C162 VanDerWaalsContact N-SG 3.41Å; C147-C162 WeakPolarHBondContact CA-SG 3.42Å; C147-C162 HydrophobicContact CB-CB 3.87Å; C147-C162 WeakPolarHBondContact CB-SG 3.31Å; C147-C162 WeakPolarHBondContact SG-CB 3.43Å; C147-C162 CovalentContact SG-SG 2.05Å; C147-C162 PolarHBondContact SG-SG 2.77Å |
| 163 | L | 97.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 81 Ų | 81 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.6 | -178.4 | -61.2 | 179.6 | 0 | 0 | 0 | 109.8 | T151 F152 P161 | T151-L163 CarbonylContact C-O 3.47Å; T151-L163 WeakPolarHBondContact CA-O 3.18Å; T151-L163 VanDerWaalsContact CB-O 3.3Å; T151-L163 WeakPolarHBondContact CB-O 3.35Å; F152-L163 HydrophobicContact CD1-CB 4.42Å; F152-L163 WeakPolarHBondContact CD1-O 3.41Å; F152-L163 HydrophobicContact CE1-CB 4.06Å; F152-L163 HydrophobicContact CZ-CB 4.3Å; F152-L163 PolarHBondContact N-O 2.86Å; F152-L163 PolarHBondContact O-N 3.06Å; P161-L163 PolarHBondContact O-N 3.35Å |
| 164 | P | 97.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 83.6 Ų | 83.6 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 139.2 | 174.8 | 29 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 165 | C | 96.9 | Very high | 93 | Very high | 14 Ų | 14 | 84.8 Ų | 84.8 | 10% | 0.095 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.4 | 174.2 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | E150 C179 D184 | E150-C165 PolarHBondContact O-N 2.96Å; E150-C165 PolarHBondContact O-SG 3.29Å; C165-C179 HydrophobicContact CB-CB 3.6Å; C165-C179 WeakPolarHBondContact CB-SG 3.1Å; C165-C179 WeakPolarHBondContact SG-CB 3.09Å; C165-C179 CovalentContact SG-SG 2Å; C165-C179 PolarHBondContact SG-SG 2.81Å; C165-D184 VanDerWaalsContact CA-OD1 3.26Å; C165-D184 WeakPolarHBondContact CA-OD1 3.44Å |
| 166 | T | 95.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 84.7 Ų | 84.7 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 136.5 | 167.3 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | D184 S185 | T166-D184 WeakPolarHBondContact CB-OD2 3.29Å; T166-D184 PolarHBondContact N-OD1 3.28Å; T166-D184 PolarHBondContact OG1-OD2 3.28Å; T166-S185 PolarHBondContact O-OG 2.96Å |
| 167 | I | 93.5 | Very high | 92.8 | Very high | 152 Ų | 152 | 80.1 Ų | 80.1 | 78% | 0.779 | 43% | 0.427 | S | S | * | . | trans | -105.2 | 117.1 | 176.4 | -58.2 | 174.4 | 0 | 0 | 0 | 107.6 | ||||
| 168 | C | 92.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 86.7 Ų | 86.7 | 14% | 0.135 | 46% | 0.456 | C | S | . | . | trans | -76.7 | 132 | 177.1 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | E170 E173 Q175 C187 | C168-E170 PolarHBondContact O-N 3.25Å; C168-E173 HydrophobicContact CB-CB 4.28Å; C168-Q175 HydrophobicContact CB-CB 4.44Å; C168-C187 WeakPolarHBondContact CA-SG 3.38Å; C168-C187 HydrophobicContact CB-CB 3.85Å; C168-C187 WeakPolarHBondContact CB-SG 3.28Å; C168-C187 WeakPolarHBondContact SG-CA 3.43Å; C168-C187 WeakPolarHBondContact SG-CB 3.17Å; C168-C187 CovalentContact SG-SG 2.04Å; C168-C187 PolarHBondContact SG-SG 2.85Å | ||
| 169 | E | 92.4 | Very high | 93.1 | Very high | 125 Ų | 125 | 84.2 Ų | 84.2 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | trans | -76.1 | 114.5 | 175.6 | -72.2 | -176.6 | -158.9 | 0 | 0 | 110.8 | D171 I172 E173 | E169-D171 PolarHBondContact O-N 3.46Å; E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CB-CG1 3.47Å; E169-I172 VanDerWaalsContact CB-CG1 3.47Å; E169-I172 HydrophobicContact CG-CD1 4.37Å; E169-I172 HydrophobicContact CG-CG1 4.41Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-I172 VanDerWaalsContact O-N 3.12Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.24Å; E169-I172 WeakPolarHBondContact OE2-CG1 3.42Å; E169-E173 PolarHBondContact O-N 3.31Å | ||
| 170 | E | 83.9 | Confident | 93.2 | Very high | 191 Ų | 191 | 82.3 Ų | 82.3 | 89% | 0.893 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.8 | -172.5 | -64.7 | -179.6 | -176.4 | 0 | 0 | 114.6 | C168 | C168-E170 PolarHBondContact O-N 3.25Š|
| 171 | D | 83.3 | Confident | 93.3 | Very high | 163 Ų | 163 | 82.8 Ų | 82.8 | 87% | 0.872 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -17.6 | -175.1 | -71 | -39.4 | 0 | 0 | 0 | 114.4 | E169 | E169-D171 PolarHBondContact O-N 3.46Š|
| 172 | I | 87.1 | Confident | 93.3 | Very high | 83 Ų | 83 | 84.3 Ų | 84.3 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -21.2 | -172.7 | 56.4 | 158.7 | 0 | 0 | 0 | 114 | E169 M190 | E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CB-CG1 3.47Å; E169-I172 VanDerWaalsContact CB-CG1 3.47Å; E169-I172 HydrophobicContact CG-CD1 4.37Å; E169-I172 HydrophobicContact CG-CG1 4.41Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-I172 VanDerWaalsContact O-N 3.12Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.24Å; E169-I172 WeakPolarHBondContact OE2-CG1 3.42Å; I172-M190 PolarHBondContact O-N 3.38Å |
| 173 | E | 91.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 85.5 Ų | 85.5 | 28% | 0.28 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.6 | -175.7 | -69.5 | -179.1 | 163.7 | 0 | 0 | 111.1 | C168 E169 C187 H188 | C168-E173 HydrophobicContact CB-CB 4.28Å; E169-E173 PolarHBondContact O-N 3.31Å; E173-C187 HydrophobicContact CB-CB 4.21Å; E173-C187 HydrophobicContact CG-CB 4.49Å; E173-C187 VanDerWaalsContact OE2-CB 3.29Å; E173-C187 WeakPolarHBondContact OE2-CB 3.33Å; E173-H188 CarbonylContact C-O 3.44Å; E173-H188 WeakPolarHBondContact CA-O 3.35Å |
| 174 | T | 89.9 | Confident | 93.2 | Very high | 60 Ų | 60 | 84.7 Ų | 84.7 | 37% | 0.368 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.3 | 172.1 | -52.8 | 0 | 0 | 0 | 0 | 108.9 | L176 H188 M190 | T174-L176 PolarHBondContact O-N 2.82Å; T174-H188 PolarHBondContact N-O 3.27Å; T174-H188 PolarHBondContact O-N 3.38Å; T174-M190 WeakPolarHBondContact OG1-CE 3.43Å |
| 175 | Q | 91.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 117.1 | 173.8 | -171.3 | 171.8 | 21 | 0 | 0 | 109.9 | C168 A177 | C168-Q175 HydrophobicContact CB-CB 4.44Å; Q175-A177 VanDerWaalsContact CG-O 3.22Å; Q175-A177 WeakPolarHBondContact CG-O 3.2Å; Q175-A177 PolarHBondContact NE2-O 3.05Å |
| 176 | L | 92.3 | Very high | 93 | Very high | 115 Ų | 115 | 83.1 Ų | 83.1 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -29 | 176.8 | -64.1 | -176.3 | 0 | 0 | 0 | 112.5 | T174 V186 H188 | T174-L176 PolarHBondContact O-N 2.82Å; L176-V186 HydrophobicContact CB-CB 4.45Å; L176-V186 HydrophobicContact CB-CG1 4.32Å; L176-V186 HydrophobicContact CD1-CG1 4.46Å; L176-V186 PolarHBondContact N-O 3.25Å; L176-H188 HydrophobicContact CD1-CB 3.6Å; L176-H188 HydrophobicContact CD2-CB 4.15Å; L176-H188 HydrophobicContact CG-CB 3.68Å |
| 177 | A | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 81.5 Ų | 81.5 | 33% | 0.331 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q175 S185 V186 | Q175-A177 VanDerWaalsContact CG-O 3.22Å; Q175-A177 WeakPolarHBondContact CG-O 3.2Å; Q175-A177 PolarHBondContact NE2-O 3.05Å; A177-S185 WeakPolarHBondContact O-CA 3.14Å; A177-V186 HydrophobicContact CB-CB 3.97Å; A177-V186 HydrophobicContact CB-CG2 3.98Å; A177-V186 PolarHBondContact O-N 3.43Å; A177-V186 VanDerWaalsContact O-N 3.11Å |
| 178 | E | 94.2 | Very high | 92.9 | Very high | 154 Ų | 154 | 78.4 Ų | 78.4 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | trans | -73.4 | 152.7 | 173.8 | -67.3 | 176 | -171.9 | 0 | 0 | 110.8 | ||||
| 179 | C | 96.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 80.2 Ų | 80.2 | 17% | 0.169 | 43% | 0.432 | C | S | . | . | trans | -70.4 | 143.1 | 173.6 | -158.9 | 0 | 0 | 0 | 0 | 110.5 | C165 S183 | C165-C179 HydrophobicContact CB-CB 3.6Å; C165-C179 WeakPolarHBondContact CB-SG 3.1Å; C165-C179 WeakPolarHBondContact SG-CB 3.09Å; C165-C179 CovalentContact SG-SG 2Å; C165-C179 PolarHBondContact SG-SG 2.81Å; C179-S183 PolarHBondContact SG-O 2.93Å | ||
| 180 | T | 96.1 | Very high | 91.8 | Very high | 52 Ų | 52 | 80.4 Ų | 80.4 | 32% | 0.319 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -131.9 | 163.5 | 171.7 | 78.6 | 0 | 0 | 0 | 0 | 109 | F152 I182 S183 | F152-T180 WeakPolarHBondContact CB-O 3.44Å; T180-I182 PolarHBondContact O-N 3.08Å; T180-I182 VanDerWaalsContact OG1-CG1 3.24Å; T180-I182 WeakPolarHBondContact OG1-CG1 3.08Å; T180-I182 PolarHBondContact OG1-N 3.29Å; T180-S183 PolarHBondContact N-O 2.83Å; T180-S183 PolarHBondContact O-N 2.83Å; T180-S183 VanDerWaalsContact O-N 3.08Å; T180-S183 PolarHBondContact OG1-N 3.3Å; T180-S183 PolarHBondContact OG1-OG 2.05Å |
| 181 | P | 96.9 | Very high | 91 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 43% | 0.429 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.4 | 175.7 | -28.5 | 36.6 | 0 | 0 | 0 | 114.1 | G129 C147 F152 S153 | G129-P181 VanDerWaalsContact CA-O 3.31Å; G129-P181 WeakPolarHBondContact CA-O 3.28Å; C147-P181 HydrophobicContact CB-CB 4.28Å; F152-P181 CarbonylContact C-O 3.57Å; F152-P181 WeakPolarHBondContact CA-O 3.26Å; S153-P181 PolarHBondContact N-O 3.19Å |
| 182 | I | 97.3 | Very high | 89.4 | Confident | 95 Ų | 95 | 72.5 Ų | 72.5 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -6.6 | -177.7 | 63.4 | 169.6 | 0 | 0 | 0 | 114.2 | L128 D154 T180 | L128-I182 HydrophobicContact CB-CG2 4.07Å; D154-I182 WeakPolarHBondContact CA-O 3.22Å; T180-I182 PolarHBondContact O-N 3.08Å; T180-I182 VanDerWaalsContact OG1-CG1 3.24Å; T180-I182 WeakPolarHBondContact OG1-CG1 3.08Å; T180-I182 PolarHBondContact OG1-N 3.29Å |
| 183 | S | 96.5 | Very high | 87.7 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -152.8 | 137.8 | -172.7 | 68 | 0 | 0 | 0 | 0 | 112.6 | C179 T180 | C179-S183 PolarHBondContact SG-O 2.93Å; T180-S183 PolarHBondContact N-O 2.83Å; T180-S183 PolarHBondContact O-N 2.83Å; T180-S183 VanDerWaalsContact O-N 3.08Å; T180-S183 PolarHBondContact OG1-N 3.3Å; T180-S183 PolarHBondContact OG1-OG 2.05Å |
| 184 | D | 97.3 | Very high | 85.4 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | trans | -63.8 | 159.2 | 173.8 | -157 | 2.7 | 0 | 0 | 0 | 112.6 | F152 C165 T166 | F152-D184 HydrophobicContact CD1-CB 4.08Å; F152-D184 HydrophobicContact CD2-CB 4.33Å; F152-D184 HydrophobicContact CE1-CB 3.57Å; F152-D184 VanDerWaalsContact CE1-CG 3.45Å; F152-D184 HydrophobicContact CE2-CB 3.85Å; F152-D184 HydrophobicContact CG-CB 4.45Å; F152-D184 HydrophobicContact CZ-CB 3.45Å; F152-D184 VanDerWaalsContact CZ-CB 3.45Å; C165-D184 VanDerWaalsContact CA-OD1 3.26Å; C165-D184 WeakPolarHBondContact CA-OD1 3.44Å; T166-D184 WeakPolarHBondContact CB-OD2 3.29Å; T166-D184 PolarHBondContact N-OD1 3.28Å; T166-D184 PolarHBondContact OG1-OD2 3.28Å | ||
| 185 | S | 95.3 | Very high | 83.5 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 5% | 0.049 | 46% | 0.459 | C | S | . | . | trans | -67.4 | 149.2 | 164.8 | 88.3 | 0 | 0 | 0 | 0 | 110.5 | T166 A177 | T166-S185 PolarHBondContact O-OG 2.96Å; A177-S185 WeakPolarHBondContact O-CA 3.14Å | ||
| 186 | V | 95.6 | Very high | 81.3 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113.4 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | L176 A177 | L176-V186 HydrophobicContact CB-CB 4.45Å; L176-V186 HydrophobicContact CB-CG1 4.32Å; L176-V186 HydrophobicContact CD1-CG1 4.46Å; L176-V186 PolarHBondContact N-O 3.25Å; A177-V186 HydrophobicContact CB-CB 3.97Å; A177-V186 HydrophobicContact CB-CG2 3.98Å; A177-V186 PolarHBondContact O-N 3.43Å; A177-V186 VanDerWaalsContact O-N 3.11Å |
| 187 | C | 94.6 | Very high | 79.2 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.2 | 178.8 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | C168 E173 | C168-C187 WeakPolarHBondContact CA-SG 3.38Å; C168-C187 HydrophobicContact CB-CB 3.85Å; C168-C187 WeakPolarHBondContact CB-SG 3.28Å; C168-C187 WeakPolarHBondContact SG-CA 3.43Å; C168-C187 WeakPolarHBondContact SG-CB 3.17Å; C168-C187 CovalentContact SG-SG 2.04Å; C168-C187 PolarHBondContact SG-SG 2.85Å; E173-C187 HydrophobicContact CB-CB 4.21Å; E173-C187 HydrophobicContact CG-CB 4.49Å; E173-C187 VanDerWaalsContact OE2-CB 3.29Å; E173-C187 WeakPolarHBondContact OE2-CB 3.33Å |
| 188 | H | 92.7 | Very high | 76.9 | Confident | 87 Ų | 87 | 88.5 Ų | 88.5 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.7 | 175.8 | -178.2 | 71 | 0 | 0 | 0 | 111.2 | E173 T174 L176 M190 | E173-H188 CarbonylContact C-O 3.44Å; E173-H188 WeakPolarHBondContact CA-O 3.35Å; T174-H188 PolarHBondContact N-O 3.27Å; T174-H188 PolarHBondContact O-N 3.38Å; L176-H188 HydrophobicContact CD1-CB 3.6Å; L176-H188 HydrophobicContact CD2-CB 4.15Å; L176-H188 HydrophobicContact CG-CB 3.68Å; H188-M190 PolarHBondContact O-N 3.47Å |
| 189 | S | 87.3 | Confident | 74.4 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.6 | 176 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | T191 | S189-T191 PolarHBondContact O-N 2.93Å |
| 190 | M | 73.1 | Confident | 72.1 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -70.9 | -7.1 | 176.6 | -73.4 | -85.2 | 164.9 | 0 | 0 | 112.6 | I172 T174 H188 | I172-M190 PolarHBondContact O-N 3.38Å; T174-M190 WeakPolarHBondContact OG1-CE 3.43Å; H188-M190 PolarHBondContact O-N 3.47Å |
| 191 | T | 66.9 | Low | 69.4 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | trans | -123.6 | 62 | -174.4 | -34.8 | 0 | 0 | 0 | 0 | 112.4 | S189 P193 | S189-T191 PolarHBondContact O-N 2.93Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å | ||
| 192 | A | 49.8 | Very low | 66.7 | Low | 78 Ų | 78 | 110.2 Ų | 110.2 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | trans | -102.4 | 93.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | S194 | A192-S194 PolarHBondContact O-N 3.3Š| ||
| 193 | P | 52.1 | Low | 64 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 59% | 0.593 | S | S | * | * | trans | -57.4 | 112.2 | 157 | 23.4 | -28.8 | 0 | 0 | 0 | 106.5 | T191 | T191-P193 WeakPolarHBondContact O-CD 3.46Š| ||
| 194 | S | 44 | Very low | 61.3 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | trans | -40 | 127.1 | 161.4 | 55.3 | 0 | 0 | 0 | 0 | 107.5 | A192 K196 | A192-S194 PolarHBondContact O-N 3.3Å; S194-K196 PolarHBondContact O-N 2.91Å | ||
| 195 | P | 48.6 | Very low | 58.6 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -66.5 | 87.7 | 172.9 | 24.5 | -29.3 | 0 | 0 | 0 | 107.6 | H197 | P195-H197 PolarHBondContact O-N 3.44Š| ||
| 196 | K | 46.6 | Very low | 55.5 | Low | 179 Ų | 179 | 128.1 Ų | 128.1 | 78% | 0.778 | 68% | 0.679 | S | S | * | * | trans | -73.1 | 61.2 | 160.8 | -71 | -178 | -177.4 | 177.3 | 0 | 107.7 | S194 | S194-K196 PolarHBondContact O-N 2.91Š| ||
| 197 | H | 46.8 | Very low | 52.7 | Low | 168 Ų | 168 | 133.2 Ų | 133.2 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | trans | -128.2 | 87.5 | 154.7 | -94 | -62.7 | 0 | 0 | 0 | 107.4 | P195 R199 | P195-H197 PolarHBondContact O-N 3.44Å; H197-R199 PolarHBondContact O-N 2.9Å | ||
| 198 | T | 46.8 | Very low | 50.1 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -57.7 | 76.7 | 154.6 | -33.2 | 0 | 0 | 0 | 0 | 108.4 | R200 | T198-R200 PolarHBondContact O-N 3.4Š| ||
| 199 | R | 42.1 | Very low | 47.6 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -84.4 | 98.6 | 149.5 | -93.2 | -156 | -92.3 | -124.9 | -0.5 | 106.4 | H197 F201 | H197-R199 PolarHBondContact O-N 2.9Å; R199-F201 HydrophobicContact CB-CD2 4.13Å; R199-F201 HydrophobicContact CB-CE2 4.18Å; R199-F201 PolarHBondContact O-N 2.97Å | ||
| 200 | R | 47.2 | Very low | 45.3 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -48.3 | 92.6 | 159.4 | 178.7 | -172.9 | -85.4 | -138 | -3.4 | 108.2 | T198 | T198-R200 PolarHBondContact O-N 3.4Š| ||
| 201 | F | 39.6 | Very low | 44.1 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -96.2 | 112.1 | 156 | -86.5 | -83.5 | 0 | 0 | 0 | 106.4 | R199 | R199-F201 HydrophobicContact CB-CD2 4.13Å; R199-F201 HydrophobicContact CB-CE2 4.18Å; R199-F201 PolarHBondContact O-N 2.97Å | ||
| 202 | Q | 40.8 | Very low | 42.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 146.7 | 170.2 | -78.6 | 166.4 | -19.1 | 0 | 0 | 109.9 | T204 | Q202-T204 VanDerWaalsContact C-N 3.34Å; Q202-T204 PolarHBondContact O-N 3.5Å | ||
| 203 | P | 39.9 | Very low | 42.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -71.5 | 95.2 | 167 | 29.7 | -29.5 | 0 | 0 | 0 | 108 | K205 | P203-K205 PolarHBondContact O-N 3.28Å; P203-K205 VanDerWaalsContact O-N 3.11Å | ||
| 204 | T | 39.3 | Very low | 41.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -66.8 | 106.4 | 158.7 | 2.8 | 0 | 0 | 0 | 0 | 106.8 | Q202 C206 | Q202-T204 VanDerWaalsContact C-N 3.34Å; Q202-T204 PolarHBondContact O-N 3.5Å; T204-C206 PolarHBondContact O-N 2.85Å | ||
| 205 | K | 41.5 | Very low | 41.3 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -50.4 | 110.4 | 160.3 | -94.7 | 176.7 | 172.5 | 176.4 | 0 | 108 | P203 | P203-K205 PolarHBondContact O-N 3.28Å; P203-K205 VanDerWaalsContact O-N 3.11Å | ||
| 206 | C | 30.3 | Very low | 40.6 | Very low | 121 Ų | 121 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -95.9 | 106.8 | 154.6 | -75.4 | 0 | 0 | 0 | 0 | 107.1 | T204 S208 | T204-C206 PolarHBondContact O-N 2.85Å; C206-S208 PolarHBondContact O-N 3.42Å | ||
| 207 | Q | 35.6 | Very low | 40.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -55.6 | 128.2 | 162.4 | -72.3 | 166.3 | 0.5 | 0 | 0 | 108.3 | P209 | Q207-P209 WeakPolarHBondContact O-CD 3.36Š| ||
| 208 | S | 40.4 | Very low | 39.7 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -73.6 | 127.5 | 162.9 | 38.5 | 0 | 0 | 0 | 0 | 109.2 | C206 | C206-S208 PolarHBondContact O-N 3.42Š| ||
| 209 | P | 40.7 | Very low | 39.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 115.1 | 150.7 | 6.9 | 12.1 | 0 | 0 | 0 | 107.2 | Q207 | Q207-P209 WeakPolarHBondContact O-CD 3.36Š| ||
| 210 | S | 39.8 | Very low | 39.1 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.4 | 165.4 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 211 | P | 46.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 150 | 156.6 | 33.3 | -27.2 | 0 | 0 | 0 | 110.2 | ||
| 212 | P | 38.7 | Very low | 39.3 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 143.9 | 179.9 | 30.8 | -32.2 | 0 | 0 | 0 | 110.9 | ||
| 213 | V | 43.2 | Very low | 39.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.1 | 163.5 | 169.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 214 | S | 31.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -155.5 | 124.8 | 145.2 | -102.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 215 | S | 40.3 | Very low | 40.1 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 129.8 | -178.8 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 216 | H | 34.2 | Very low | 40.1 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -149.7 | 122.8 | 146.9 | -88.3 | -62.9 | 0 | 0 | 0 | 110.3 | ||||
| 217 | S | 40 | Very low | 40.7 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -96.2 | 124.5 | -178 | 48 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 218 | G | 34.8 | Very low | 41.1 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -171 | 139.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 219 | P | 41.3 | Very low | 41 | Very low | 130 Ų | 130 | 151 Ų | 151 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -90.1 | 145.7 | -154.7 | 34.6 | -33.2 | 0 | 0 | 0 | 113.1 | ||||
| 220 | R | 35 | Very low | 40.9 | Very low | 250 Ų | 250 | 153.3 Ų | 153.3 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -120.2 | 117.2 | 166.9 | -165.2 | 175.1 | -84.7 | -157.2 | -3.7 | 109.8 | ||||
| 221 | V | 48.1 | Very low | 41.2 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 158.3 | 174.4 | -159.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 222 | D | 43.8 | Very low | 40.9 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 80.4 | 96 | 164.1 | -59.7 | -40.3 | 0 | 0 | 0 | 119.6 | ||||
| 223 | R | 46.4 | Very low | 40.9 | Very low | 252 Ų | 252 | 162.1 Ų | 162.1 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 59.4 | 138.4 | -112.5 | 179.1 | -160.4 | -153.1 | 5 | 112.5 | ||||
| 224 | V | 46.7 | Very low | 40.7 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -130 | 69.7 | 164.8 | -171.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 225 | F | 43.7 | Very low | 41.3 | Very low | 165 Ų | 165 | 164.1 Ų | 164.1 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -142.8 | 14.6 | 174.8 | -109 | -73.6 | 0 | 0 | 0 | 114.6 | ||
| 226 | F | 41.1 | Very low | 41.3 | Very low | 206 Ų | 206 | 164.1 Ų | 164.1 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -122.2 | 2.6 | 179.3 | -92.7 | -79.6 | 0 | 0 | 0 | 115.5 | ||
| 227 | R | 42.2 | Very low | 41.9 | Very low | 228 Ų | 228 | 162.9 Ų | 162.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -103.8 | 2.8 | -177.3 | -140.4 | 176.8 | -176.9 | 171.4 | -0.5 | 114.8 | ||
| 228 | E | 45.7 | Very low | 41.9 | Very low | 148 Ų | 148 | 163.2 Ų | 163.2 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -95.9 | -22.7 | -172.4 | -141.4 | 157.2 | -161.2 | 0 | 0 | 113.2 | Q230 | E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 3.48Å |
| 229 | K | 36.8 | Very low | 42.2 | Very low | 197 Ų | 197 | 167.1 Ų | 167.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -13.5 | -178.2 | -152.8 | 175.8 | -178 | -177.7 | 0 | 114.3 | ||
| 230 | Q | 38.7 | Very low | 42.2 | Very low | 167 Ų | 167 | 170.1 Ų | 170.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -6.2 | -173.3 | -140.2 | 173.9 | -5.9 | 0 | 0 | 114.1 | E228 | E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 3.48Å |
| 231 | R | 46.3 | Very low | 42.1 | Very low | 206 Ų | 206 | 166.5 Ų | 166.5 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -84.3 | -19.4 | 179.6 | -166 | -177.6 | -77.5 | -173.4 | -5.1 | 113.1 | ||
| 232 | Q | 40.5 | Very low | 41.4 | Very low | 163 Ų | 163 | 168.1 Ų | 168.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13 | -171.2 | -148.5 | 152.4 | 3.2 | 0 | 0 | 114.3 | ||
| 233 | E | 39.4 | Very low | 41.4 | Very low | 162 Ų | 162 | 170 Ų | 170 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -21.2 | 175.7 | -78.2 | -169.7 | 138.8 | 0 | 0 | 114.1 | ||
| 234 | L | 38.2 | Very low | 41.3 | Very low | 149 Ų | 149 | 166.1 Ų | 166.1 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -81.4 | -21.5 | -176.1 | -165 | 68.8 | 0 | 0 | 0 | 113.6 | S236 | L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 2.92Å |
| 235 | L | 44 | Very low | 41.2 | Very low | 154 Ų | 154 | 162.8 Ų | 162.8 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -82.5 | -0.1 | 179.2 | -118.4 | 98.4 | 0 | 0 | 0 | 114.1 | ||
| 236 | S | 40.5 | Very low | 41.4 | Very low | 99 Ų | 99 | 162.7 Ų | 162.7 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -99.7 | -0.6 | -172.8 | -57.8 | 0 | 0 | 0 | 0 | 114.6 | L234 | L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 2.92Å |
| 237 | Q | 47.2 | Very low | 41.6 | Very low | 177 Ų | 177 | 159.9 Ų | 159.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -118.6 | -0.4 | -171.7 | -73.2 | -171.4 | 8.8 | 0 | 0 | 117.1 | ||
| 238 | T | 39.3 | Very low | 41.9 | Very low | 134 Ų | 134 | 155 Ų | 155 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -110.6 | 63 | 174.5 | 23.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 239 | L | 42.3 | Very low | 42 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -142.3 | 71.5 | 157.6 | -169.7 | 74 | 0 | 0 | 0 | 110.8 | ||||
| 240 | H | 39.4 | Very low | 42.3 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -144.2 | 104.3 | 155.6 | -80.4 | -60.7 | 0 | 0 | 0 | 112.2 | ||||
| 241 | K | 34.7 | Very low | 42.4 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 92.9 | 88 | 138.1 | -154.6 | 179.1 | -172.2 | 178.7 | 0 | 118.3 | ||||
| 242 | T | 31.6 | Very low | 42.7 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -122.9 | 112.9 | 145.3 | -15.5 | 0 | 0 | 0 | 0 | 108.5 | D244 | T242-D244 PolarHBondContact O-N 3.23Š| ||
| 243 | K | 45.6 | Very low | 43.5 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 84.7 | 175.2 | -84 | -179.5 | 168.3 | 179.9 | 0 | 108.7 | ||
| 244 | D | 42.9 | Very low | 44.5 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.2 | 28.9 | 147.5 | -130.8 | -8.6 | 0 | 0 | 0 | 115.3 | T242 | T242-D244 PolarHBondContact O-N 3.23Š|
| 245 | G | 45 | Very low | 45.5 | Very low | 57 Ų | 57 | 137 Ų | 137 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | trans | -126.7 | 6.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N247 | G245-N247 PolarHBondContact O-N 2.94Š| ||
| 246 | Q | 48.1 | Very low | 47 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.8 | -167.1 | -93 | -176.9 | -36.8 | 0 | 0 | 116.2 | ||
| 247 | N | 44.3 | Very low | 48.5 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -8.8 | -174.1 | -74.9 | -11.1 | 0 | 0 | 0 | 115.5 | G245 | G245-N247 PolarHBondContact O-N 2.94Š|
| 248 | V | 49 | Very low | 49.8 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -30.8 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | R250 | V248-R250 VanDerWaalsContact C-N 3.33Å; V248-R250 PolarHBondContact O-N 3.45Å |
| 249 | L | 48.5 | Very low | 51.7 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 6.1 | 178.1 | -151.5 | 73.6 | 0 | 0 | 0 | 114.4 | N253 | L249-N253 PolarHBondContact O-ND2 2.79Š|
| 250 | R | 41.6 | Very low | 53.6 | Low | 164 Ų | 164 | 127.4 Ų | 127.4 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -20.3 | 176.1 | -166.3 | 171.1 | 174 | -162.8 | -2.3 | 113.1 | V248 E254 | V248-R250 VanDerWaalsContact C-N 3.33Å; V248-R250 PolarHBondContact O-N 3.45Å; R250-E254 IonicContact CZ-OE1 3.35Å; R250-E254 IonicContact NE-OE1 2.82Å; R250-E254 PolarHBondContact NE-OE1 2.76Å; R250-E254 IonicContact NH2-OE1 3.16Å; R250-E254 PolarHBondContact NH2-OE1 3.11Å; R250-E254 VanDerWaalsContact NH2-OE1 3.16Å |
| 251 | G | 41.7 | Very low | 55.5 | Low | 50 Ų | 50 | 121.9 Ų | 121.9 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -26.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 252 | F | 52.6 | Low | 58 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -15.7 | -177.6 | -65.6 | -75.1 | 0 | 0 | 0 | 113.9 | ||
| 253 | N | 57.7 | Low | 60.6 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 47% | 0.465 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -16.3 | -175.3 | -74 | -46 | 0 | 0 | 0 | 114.6 | L249 N255 | L249-N253 PolarHBondContact O-ND2 2.79Å; N253-N255 VanDerWaalsContact C-N 3.28Å; N253-N255 PolarHBondContact O-N 2.96Å |
| 254 | E | 60.6 | Low | 62.7 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -16.7 | 178.2 | -66.5 | -176.9 | 171.9 | 0 | 0 | 112.7 | R250 | R250-E254 IonicContact CZ-OE1 3.35Å; R250-E254 IonicContact NE-OE1 2.82Å; R250-E254 PolarHBondContact NE-OE1 2.76Å; R250-E254 IonicContact NH2-OE1 3.16Å; R250-E254 PolarHBondContact NH2-OE1 3.11Å; R250-E254 VanDerWaalsContact NH2-OE1 3.16Å |
| 255 | N | 59.6 | Low | 64.9 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.9 | -9.6 | -179.6 | -63.3 | -41.2 | 0 | 0 | 0 | 113.9 | N253 P258 I259 | N253-N255 VanDerWaalsContact C-N 3.28Å; N253-N255 PolarHBondContact O-N 2.96Å; N255-P258 WeakPolarHBondContact O-CD 3.03Å; N255-P258 WeakPolarHBondContact O-CG 3.26Å; N255-I259 HydrophobicContact CB-CD1 4.37Å; N255-I259 WeakPolarHBondContact O-CB 3.45Å; N255-I259 WeakPolarHBondContact O-CD1 3.11Å; N255-I259 WeakPolarHBondContact O-CG1 3.3Å; N255-I259 PolarHBondContact O-N 3.38Å |
| 256 | L | 73.8 | Confident | 67 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.1 | -41.7 | -176.7 | -165.6 | 67.6 | 0 | 0 | 0 | 112.3 | I259 Y260 | L256-I259 PolarHBondContact O-N 2.66Å; L256-Y260 HydrophobicContact CG-CD2 4.46Å; L256-Y260 PolarHBondContact O-N 2.91Å |
| 257 | I | 72.1 | Confident | 69.2 | Low | 125 Ų | 125 | 102 Ų | 102 | 64% | 0.641 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -49.7 | 178.8 | -59.5 | 171.7 | 0 | 0 | 0 | 112 | I259 Y260 C261 | I257-I259 VanDerWaalsContact C-N 3.34Å; I257-I259 PolarHBondContact O-N 3.26Å; I257-Y260 PolarHBondContact O-N 2.91Å; I257-C261 PolarHBondContact O-N 2.67Å; I257-C261 PolarHBondContact O-SG 3.48Å |
| 258 | P | 75.3 | Confident | 71.5 | Confident | 62 Ų | 62 | 99.3 Ų | 99.3 | 40% | 0.403 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -32 | 178.1 | 24.1 | -33.4 | 0 | 0 | 0 | 113.3 | N255 S262 | N255-P258 WeakPolarHBondContact O-CD 3.03Å; N255-P258 WeakPolarHBondContact O-CG 3.26Å; P258-S262 WeakPolarHBondContact O-CB 3.48Å; P258-S262 PolarHBondContact O-N 3.39Å; P258-S262 PolarHBondContact O-OG 3.46Å |
| 259 | I | 80.1 | Confident | 73.6 | Confident | 92 Ų | 92 | 98.2 Ų | 98.2 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 175 | -69.1 | 168.5 | 0 | 0 | 0 | 110.6 | N255 L256 I257 C261 S262 I263 | N255-I259 HydrophobicContact CB-CD1 4.37Å; N255-I259 WeakPolarHBondContact O-CB 3.45Å; N255-I259 WeakPolarHBondContact O-CD1 3.11Å; N255-I259 WeakPolarHBondContact O-CG1 3.3Å; N255-I259 PolarHBondContact O-N 3.38Å; L256-I259 PolarHBondContact O-N 2.66Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I257-I259 PolarHBondContact O-N 3.26Å; I259-C261 PolarHBondContact O-N 3.29Å; I259-S262 PolarHBondContact O-N 2.72Å; I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3Å |
| 260 | Y | 82 | Confident | 75.8 | Confident | 148 Ų | 148 | 93.9 Ų | 93.9 | 58% | 0.58 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 175.6 | -110 | -87.9 | 0 | 0 | 0 | 112.2 | L256 I257 S262 I263 L264 | L256-Y260 HydrophobicContact CG-CD2 4.46Å; L256-Y260 PolarHBondContact O-N 2.91Å; I257-Y260 PolarHBondContact O-N 2.91Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 2.79Å; Y260-I263 PolarHBondContact O-N 2Å; Y260-L264 WeakPolarHBondContact O-CB 3.04Å; Y260-L264 VanDerWaalsContact O-CG 3.3Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.1Å |
| 261 | C | 79.4 | Confident | 78.3 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 52% | 0.52 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.3 | -73.4 | 0 | 0 | 0 | 0 | 112.7 | I257 I259 A265 | I257-C261 PolarHBondContact O-N 2.67Å; I257-C261 PolarHBondContact O-SG 3.48Å; I259-C261 PolarHBondContact O-N 3.29Å; C261-A265 VanDerWaalsContact O-CB 3.29Å; C261-A265 WeakPolarHBondContact O-CB 3.33Å; C261-A265 PolarHBondContact O-N 3.48Å |
| 262 | S | 86.1 | Confident | 80.7 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | 178 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | P258 I259 Y260 A265 A266 | P258-S262 WeakPolarHBondContact O-CB 3.48Å; P258-S262 PolarHBondContact O-N 3.39Å; P258-S262 PolarHBondContact O-OG 3.46Å; I259-S262 PolarHBondContact O-N 2.72Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 2.79Å; S262-A265 PolarHBondContact O-N 3.35Å; S262-A266 WeakPolarHBondContact O-CB 3.29Å; S262-A266 PolarHBondContact O-N 2.94Å |
| 263 | I | 87.5 | Confident | 82.6 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.1 | -43.2 | 177.7 | -66.1 | 167.3 | 0 | 0 | 0 | 110.8 | I259 Y260 A266 G267 | I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3Å; Y260-I263 PolarHBondContact O-N 2Å; I263-A266 PolarHBondContact O-N 3.03Å; I263-G267 PolarHBondContact O-N 3.49Å |
| 264 | L | 89.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 176.4 | -70.4 | 175.5 | 0 | 0 | 0 | 111.6 | Y260 A266 G267 V268 | Y260-L264 WeakPolarHBondContact O-CB 3.04Å; Y260-L264 VanDerWaalsContact O-CG 3.3Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.1Å; L264-A266 PolarHBondContact O-N 3.29Å; L264-G267 PolarHBondContact O-N 3.3Å; L264-V268 WeakPolarHBondContact O-CG2 3.31Å; L264-V268 PolarHBondContact O-N 2.98Å |
| 265 | A | 88.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C261 S262 G267 V268 V269 | C261-A265 VanDerWaalsContact O-CB 3.29Å; C261-A265 WeakPolarHBondContact O-CB 3.33Å; C261-A265 PolarHBondContact O-N 3.48Å; S262-A265 PolarHBondContact O-N 3.35Å; A265-G267 VanDerWaalsContact C-N 3.35Å; A265-G267 PolarHBondContact O-N 3.01Å; A265-V268 PolarHBondContact O-N 3.5Å; A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.98Å |
| 266 | A | 89.5 | Confident | 87.4 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S262 I263 L264 V269 G270 | S262-A266 WeakPolarHBondContact O-CB 3.29Å; S262-A266 PolarHBondContact O-N 2.94Å; I263-A266 PolarHBondContact O-N 3.03Å; L264-A266 PolarHBondContact O-N 3.29Å; A266-V269 PolarHBondContact O-N 3.39Å; A266-G270 PolarHBondContact O-N 2.97Å |
| 267 | G | 94 | Very high | 88.2 | Confident | 48 Ų | 48 | 90.9 Ų | 90.9 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I263 L264 A265 G270 L271 | I263-G267 PolarHBondContact O-N 3.49Å; L264-G267 PolarHBondContact O-N 3.3Å; A265-G267 VanDerWaalsContact C-N 3.35Å; A265-G267 PolarHBondContact O-N 3.01Å; G267-G270 PolarHBondContact O-N 2.95Å; G267-L271 WeakPolarHBondContact O-CB 3.34Å; G267-L271 PolarHBondContact O-N 3.32Å |
| 268 | V | 93.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 90.2 Ų | 90.2 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 177.6 | 174 | 0 | 0 | 0 | 0 | 111.3 | L264 A265 G270 L271 V272 | L264-V268 WeakPolarHBondContact O-CG2 3.31Å; L264-V268 PolarHBondContact O-N 2.98Å; A265-V268 PolarHBondContact O-N 3.5Å; V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 PolarHBondContact O-N 3.29Å; V268-L271 PolarHBondContact O-N 3Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.11Å |
| 269 | V | 93 | Very high | 89.5 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | A265 A266 L271 V272 A273 | A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.98Å; A266-V269 PolarHBondContact O-N 3.39Å; V269-L271 PolarHBondContact O-N 3.35Å; V269-V272 PolarHBondContact O-N 2.58Å; V269-A273 WeakPolarHBondContact O-CB 3.41Å; V269-A273 PolarHBondContact O-N 3.45Å |
| 270 | G | 94.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 100.8 Ų | 100.8 | 42% | 0.423 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A266 G267 V268 A273 Y274 | A266-G270 PolarHBondContact O-N 2.97Å; G267-G270 PolarHBondContact O-N 2.95Å; V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 PolarHBondContact O-N 3.29Å; G270-A273 PolarHBondContact O-N 2.76Å; G270-Y274 WeakPolarHBondContact O-CB 3.44Å; G270-Y274 PolarHBondContact O-N 3.22Å |
| 271 | L | 93.7 | Very high | 89.4 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.2 | -165.6 | 85 | 0 | 0 | 0 | 111.8 | G267 V268 V269 Y274 F275 | G267-L271 WeakPolarHBondContact O-CB 3.34Å; G267-L271 PolarHBondContact O-N 3.32Å; V268-L271 PolarHBondContact O-N 3Å; V269-L271 PolarHBondContact O-N 3.35Å; L271-Y274 WeakPolarHBondContact O-CB 3.06Å; L271-Y274 PolarHBondContact O-N 2.78Å; L271-F275 HydrophobicContact CD1-CE2 4.16Å; L271-F275 HydrophobicContact CD2-CD2 4.47Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CG-CD2 4.02Å; L271-F275 HydrophobicContact CG-CE2 3.67Å; L271-F275 WeakPolarHBondContact O-CD2 3.19Å; L271-F275 PolarHBondContact O-N 2.04Å |
| 272 | V | 93.6 | Very high | 89.3 | Confident | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | V268 V269 Y274 F275 V276 | V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.11Å; V269-V272 PolarHBondContact O-N 2.58Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.4Å; V272-F275 PolarHBondContact O-N 3.43Å; V272-V276 WeakPolarHBondContact O-CG2 3.09Å; V272-V276 PolarHBondContact O-N 3.46Å |
| 273 | A | 91.6 | Very high | 88.4 | Confident | 42 Ų | 42 | 97.9 Ų | 97.9 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V269 G270 F275 V276 F277 | V269-A273 WeakPolarHBondContact O-CB 3.41Å; V269-A273 PolarHBondContact O-N 3.45Å; G270-A273 PolarHBondContact O-N 2.76Å; A273-F275 PolarHBondContact O-N 3.44Å; A273-V276 PolarHBondContact O-N 2.83Å; A273-F277 WeakPolarHBondContact O-CB 3.29Å; A273-F277 VanDerWaalsContact O-CD2 3.28Å; A273-F277 WeakPolarHBondContact O-CD2 3.38Å; A273-F277 PolarHBondContact O-N 3.33Å |
| 274 | Y | 93.9 | Very high | 87.6 | Confident | 128 Ų | 128 | 99.3 Ų | 99.3 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 175.2 | 174 | -95.6 | 0 | 0 | 0 | 112.1 | G270 L271 V272 F277 K278 | G270-Y274 WeakPolarHBondContact O-CB 3.44Å; G270-Y274 PolarHBondContact O-N 3.22Å; L271-Y274 WeakPolarHBondContact O-CB 3.06Å; L271-Y274 PolarHBondContact O-N 2.78Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.4Å; Y274-F277 PolarHBondContact O-N 3.42Å; Y274-K278 HydrophobicContact CE1-CD 3.86Å; Y274-K278 WeakPolarHBondContact O-CB 3.34Å; Y274-K278 PolarHBondContact O-N 3.27Å |
| 275 | F | 92.9 | Very high | 86.1 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 176.8 | -78.4 | -64.9 | 0 | 0 | 0 | 112.9 | L271 V272 A273 R279 | L271-F275 HydrophobicContact CD1-CE2 4.16Å; L271-F275 HydrophobicContact CD2-CD2 4.47Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CG-CD2 4.02Å; L271-F275 HydrophobicContact CG-CE2 3.67Å; L271-F275 WeakPolarHBondContact O-CD2 3.19Å; L271-F275 PolarHBondContact O-N 2.04Å; V272-F275 PolarHBondContact O-N 3.43Å; A273-F275 PolarHBondContact O-N 3.44Å; F275-R279 WeakPolarHBondContact O-CB 3.49Å; F275-R279 PolarHBondContact O-N 2.84Å |
| 276 | V | 91.8 | Very high | 84.8 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -44.7 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | V272 A273 R279 W280 | V272-V276 WeakPolarHBondContact O-CG2 3.09Å; V272-V276 PolarHBondContact O-N 3.46Å; A273-V276 PolarHBondContact O-N 2.83Å; V276-R279 PolarHBondContact O-N 2.84Å; V276-W280 WeakPolarHBondContact O-CB 3.22Å; V276-W280 PolarHBondContact O-N 3.33Å |
| 277 | F | 90 | Very high | 83.3 | Confident | 150 Ų | 150 | 110.2 Ų | 110.2 | 66% | 0.658 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 175.2 | -90.6 | -74.8 | 0 | 0 | 0 | 111.6 | A273 Y274 W280 N281 | A273-F277 WeakPolarHBondContact O-CB 3.29Å; A273-F277 VanDerWaalsContact O-CD2 3.28Å; A273-F277 WeakPolarHBondContact O-CD2 3.38Å; A273-F277 PolarHBondContact O-N 3.33Å; Y274-F277 PolarHBondContact O-N 3.42Å; F277-W280 PolarHBondContact O-N 3.42Å; F277-N281 VanDerWaalsContact O-CB 3.31Å; F277-N281 WeakPolarHBondContact O-CB 3.49Å; F277-N281 PolarHBondContact O-N 3.35Å |
| 278 | K | 88.4 | Confident | 81.5 | Confident | 111 Ų | 111 | 116.7 Ų | 116.7 | 48% | 0.483 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.9 | -45.5 | 176.2 | -170.9 | 171.8 | -175 | 168.2 | 0 | 110.7 | Y274 N281 S282 | Y274-K278 HydrophobicContact CE1-CD 3.86Å; Y274-K278 WeakPolarHBondContact O-CB 3.34Å; Y274-K278 PolarHBondContact O-N 3.27Å; K278-N281 PolarHBondContact O-N 2.77Å; K278-S282 WeakPolarHBondContact O-CB 3.07Å; K278-S282 PolarHBondContact O-N 3.19Å; K278-S282 PolarHBondContact O-OG 3.16Å; K278-S282 VanDerWaalsContact O-OG 3.06Å |
| 279 | R | 86.9 | Confident | 79.5 | Confident | 195 Ų | 195 | 116.9 Ų | 116.9 | 74% | 0.736 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -37.3 | 176.7 | -165 | 172 | -175 | 170.4 | 1.1 | 112.2 | F275 V276 C283 | F275-R279 WeakPolarHBondContact O-CB 3.49Å; F275-R279 PolarHBondContact O-N 2.84Å; V276-R279 PolarHBondContact O-N 2.84Å; R279-C283 WeakPolarHBondContact O-CB 3.36Å; R279-C283 PolarHBondContact O-N 2.82Å; R279-C283 PolarHBondContact O-SG 2.67Å |
| 280 | W | 81.8 | Confident | 77.3 | Confident | 180 Ų | 180 | 116.1 Ų | 116.1 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.7 | -44.2 | 173.8 | -177.6 | -83.8 | 0 | 0 | 0 | 111.5 | V276 F277 C283 K284 | V276-W280 WeakPolarHBondContact O-CB 3.22Å; V276-W280 PolarHBondContact O-N 3.33Å; F277-W280 PolarHBondContact O-N 3.42Å; W280-C283 PolarHBondContact O-N 2.88Å; W280-K284 WeakPolarHBondContact O-CB 3.08Å; W280-K284 PolarHBondContact O-N 2.94Å |
| 281 | N | 77.8 | Confident | 75.4 | Confident | 95 Ų | 95 | 121.4 Ų | 121.4 | 51% | 0.508 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.2 | -37.9 | 178.8 | -131.8 | 18.6 | 0 | 0 | 0 | 111.3 | F277 K278 K284 Q285 | F277-N281 VanDerWaalsContact O-CB 3.31Å; F277-N281 WeakPolarHBondContact O-CB 3.49Å; F277-N281 PolarHBondContact O-N 3.35Å; K278-N281 PolarHBondContact O-N 2.77Å; N281-K284 PolarHBondContact O-N 3.18Å; N281-Q285 VanDerWaalsContact O-CG 3.3Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.43Å |
| 282 | S | 77.9 | Confident | 73.4 | Confident | 73 Ų | 73 | 124.3 Ų | 124.3 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.6 | -42.3 | 170.5 | -66.6 | 0 | 0 | 0 | 0 | 112 | K278 K284 N286 | K278-S282 WeakPolarHBondContact O-CB 3.07Å; K278-S282 PolarHBondContact O-N 3.19Å; K278-S282 PolarHBondContact O-OG 3.16Å; K278-S282 VanDerWaalsContact O-OG 3.06Å; S282-K284 VanDerWaalsContact C-N 3.34Å; S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 2.88Å; S282-N286 VanDerWaalsContact O-N 3.08Å |
| 283 | C | 67.3 | Low | 71.3 | Confident | 75 Ų | 75 | 131.6 Ų | 131.6 | 51% | 0.507 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69 | -30.3 | 174.6 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | R279 W280 | R279-C283 WeakPolarHBondContact O-CB 3.36Å; R279-C283 PolarHBondContact O-N 2.82Å; R279-C283 PolarHBondContact O-SG 2.67Å; W280-C283 PolarHBondContact O-N 2.88Å |
| 284 | K | 71.1 | Confident | 69.2 | Low | 139 Ų | 139 | 134.4 Ų | 134.4 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.6 | -41.6 | 175.9 | -170 | 179.6 | 179 | -174.3 | 0 | 111.4 | W280 N281 S282 N286 K287 | W280-K284 WeakPolarHBondContact O-CB 3.08Å; W280-K284 PolarHBondContact O-N 2.94Å; N281-K284 PolarHBondContact O-N 3.18Å; S282-K284 VanDerWaalsContact C-N 3.34Å; K284-N286 VanDerWaalsContact C-N 3.34Å; K284-K287 PolarHBondContact O-N 3.12Å |
| 285 | Q | 56.1 | Low | 67 | Low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.6 | -34.5 | 174.6 | -69.5 | -78.5 | 17.9 | 0 | 0 | 111.9 | N281 K287 | N281-Q285 VanDerWaalsContact O-CG 3.3Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.43Å; Q285-K287 VanDerWaalsContact C-N 3.29Å; Q285-K287 PolarHBondContact O-N 3.49Å |
| 286 | N | 61.8 | Low | 64.4 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -3.6 | -179.5 | -156.6 | 34.9 | 0 | 0 | 0 | 114.9 | S282 K284 | S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 2.88Å; S282-N286 VanDerWaalsContact O-N 3.08Å; K284-N286 VanDerWaalsContact C-N 3.34Å |
| 287 | K | 58.3 | Low | 61.8 | Low | 178 Ų | 178 | 135.5 Ų | 135.5 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 0.9 | 177.8 | -82.7 | -173.1 | 177.4 | -174.8 | 0 | 114.7 | K284 Q285 | K284-K287 PolarHBondContact O-N 3.12Å; Q285-K287 VanDerWaalsContact C-N 3.29Å; Q285-K287 PolarHBondContact O-N 3.49Å |
| 288 | Q | 56.6 | Low | 59.2 | Low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -112.4 | 33.4 | 176.2 | -68.8 | -150.5 | -15.6 | 0 | 0 | 116.6 | ||
| 289 | P | 50.3 | Low | 56.8 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -140.6 | 40 | 152.4 | 40.2 | -24.8 | 0 | 0 | 0 | 114.6 | ||
| 290 | A | 47.8 | Very low | 54.1 | Low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -110.1 | -9.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 291 | N | 53.6 | Low | 51.8 | Low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97.4 | 2.1 | -177 | -152.7 | 28.5 | 0 | 0 | 0 | 115.3 | ||
| 292 | N | 51.6 | Low | 49.7 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -108.9 | 10.1 | -177.6 | -71 | -6.5 | 0 | 0 | 0 | 114.3 | ||
| 293 | R | 50 | Low | 48.7 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -109.1 | 6.5 | -176.4 | -119.6 | -177.5 | -176.7 | 110 | -0.4 | 115.8 | ||
| 294 | A | 46.3 | Very low | 47.3 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -106.6 | 28.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 295 | A | 48.1 | Very low | 45.7 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -153.9 | 62.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 296 | T | 38.1 | Very low | 45 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -159.2 | 89.7 | 154.1 | 21.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 297 | N | 37.8 | Very low | 43.9 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 10.3 | 125.7 | 132.1 | -148.4 | 10.9 | 0 | 0 | 0 | 116.6 | ||||
| 298 | N | 36.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -161.2 | 98.7 | 140.5 | -91.4 | -28 | 0 | 0 | 0 | 111.5 | ||||
| 299 | Q | 36.5 | Very low | 42.3 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | 20.4 | 112.3 | 129.8 | -141.8 | 93.3 | 13.1 | 0 | 0 | 119 | |||||
| 300 | M | 31.9 | Very low | 42 | Very low | 164 Ų | 164 | 140 Ų | 140 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -10.2 | 129.2 | 142.3 | -175.5 | 170.3 | -172.2 | 0 | 0 | 119 | ||||
| 301 | V | 32.9 | Very low | 41.6 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | -160.2 | 132.3 | 126.4 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 302 | T | 33.9 | Very low | 41.5 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -113 | 179.4 | 170.4 | 16.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 303 | P | 56.7 | Low | 40.9 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | cis | -139.1 | -162.5 | -19 | 32.4 | -8.4 | 0 | 0 | 0 | 113.2 | ||||
| 304 | E | 36.9 | Very low | 40.4 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | 130.7 | 123.8 | 154.1 | -58.6 | -133.7 | 148.9 | 0 | 0 | 110.2 | ||||
| 305 | G | 38 | Very low | 39.9 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 176.9 | 138.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 306 | E | 41.8 | Very low | 39.4 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 116 | 144.7 | -56.2 | -158.8 | 98.5 | 0 | 0 | 122.2 | ||||
| 307 | K | 38 | Very low | 39.3 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | 93.9 | 139.6 | 98.5 | -87.6 | -175.3 | 165.5 | 130.5 | 0 | 112.5 | |||||
| 308 | L | 44.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 134 Ų | 134 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | cis | -164.4 | 129.2 | -0 | -98.1 | 147.8 | 0 | 0 | 0 | 103.7 | ||||
| 309 | H | 37.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | 63 | 119.7 | 95.3 | -78.7 | 113.7 | 0 | 0 | 0 | 117.8 | |||||
| 310 | S | 44 | Very low | 39.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 95.7 | 147.1 | 136.7 | -51.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 311 | D | 38.8 | Very low | 39.1 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | 179.7 | 166.1 | -25.5 | -156.7 | -11.8 | 0 | 0 | 0 | 104.8 | ||||
| 312 | S | 51.3 | Low | 39.2 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 82.8 | 123 | 170.8 | -38.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 313 | G | 39.1 | Very low | 39 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | cis | 143.9 | 144 | 9.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 314 | I | 40.9 | Very low | 37.8 | Very low | 165 Ų | 165 | 134 Ų | 134 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 166 | 124 | 139 | -163.7 | 137.6 | 0 | 0 | 0 | 112.5 | ||||
| 315 | S | 36.1 | Very low | 37.6 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | 36.9 | 123.5 | 153.9 | 60.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 316 | V | 37.4 | Very low | 37.2 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | 68.6 | 126.5 | 61.4 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 317 | D | 35.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -162.5 | 159.8 | 9.5 | -135.7 | -56.2 | 0 | 0 | 0 | 109.9 | ||||
| 318 | T | 39.1 | Very low | 36.8 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 72% | 0.724 | S | S | * | * | trans | 36.4 | 130.9 | 138.1 | -67.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 319 | Q | 38.4 | Very low | 36.2 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | 58.6 | 126.4 | 150.8 | -75.2 | 168.6 | 34.5 | 0 | 0 | 120.9 | ||||
| 320 | S | 30.2 | Very low | 36.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 167.3 | 164.7 | 91.6 | -163.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 321 | L | 31.1 | Very low | 35.5 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | -39.8 | 160.8 | 177.1 | -83.5 | 102.4 | 0 | 0 | 0 | 118.2 | ||||
| 322 | Q | 33.8 | Very low | 35.1 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | 96 | 113.9 | 131.5 | -95.2 | 167.6 | -45.5 | 0 | 0 | 119.6 | ||||
| 323 | D | 30.3 | Very low | 34 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | 75.5 | 139.9 | 122.2 | -94.2 | -41.7 | 0 | 0 | 0 | 119.8 | |||||
| 324 | Q | 31.5 | Very low | 33.5 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | 71.3 | 143.9 | 155 | -71.7 | -167 | -30.8 | 0 | 0 | 116.8 | ||||
| 325 | Q | 31.9 | Very low | 33 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 59% | 0.593 | 72% | 0.721 | S | S | * | * | cis | -165.1 | 151.8 | -1.4 | -128.6 | 170.6 | -44.2 | 0 | 0 | 106.6 | ||||
| 326 | Q | 31 | Very low | 32.8 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | trans | 31.7 | 131.9 | 132.7 | -85.1 | 170.7 | -47.5 | 0 | 0 | 121.3 | ||||
| 327 | Q | 34.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | 114.2 | 115.7 | 122.4 | -92.1 | 170.2 | -42.6 | 0 | 0 | 118.3 | |||||
| 328 | Q | 34.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 70.5 | 130.7 | 134.3 | -70.8 | 164.2 | -24.4 | 0 | 0 | 115.7 | ||||
| 329 | H | 32.1 | Very low | 32 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | -161.1 | 161.5 | 68 | -90.9 | -127.2 | 0 | 0 | 0 | 107.7 | |||||
| 330 | A | 36.7 | Very low | 31.4 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | cis | -175.7 | 131.1 | -11 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 331 | Q | 30.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | 42.5 | 124.7 | 127.3 | -73.7 | 175.9 | -81.4 | 0 | 0 | 121.9 | E333 | Q331-E333 PolarHBondContact NE2-OE2 3.02Š| |||
| 332 | A | 30.9 | Very low | 31 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | -175.9 | 114.1 | 97.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 333 | E | 27.5 | Very low | 30.8 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | 53.7 | 135.5 | 83.4 | -80.8 | 177.4 | 94.9 | 0 | 0 | 113.7 | Q331 | Q331-E333 PolarHBondContact NE2-OE2 3.02Š| |||
| 334 | A | 28.9 | Very low | 30.8 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | cis | -166.9 | 158.2 | -10.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 335 | Q | 29.7 | Very low | 31 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -20 | 163 | 172.2 | -98.4 | 166.4 | -100.7 | 0 | 0 | 121.6 | ||||
| 336 | P | 32.7 | Very low | 31 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | cis | -144.7 | 165 | 43.3 | 33.3 | -8.9 | 0 | 0 | 0 | 119.5 | ||||
| 337 | Q | 29.1 | Very low | 31.2 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -61.5 | 178 | 168.7 | -88.5 | -174.7 | -39.5 | 0 | 0 | 113.8 | ||||
| 338 | P | 41.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -140.3 | 174.1 | 7.7 | 29.6 | -5.7 | 0 | 0 | 0 | 116.7 | ||||
| 339 | S | 24.6 | Very low | 31.3 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 150.1 | 134 | 120.2 | 58.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 340 | R | 27.1 | Very low | 31.3 | Very low | 240 Ų | 240 | 145.1 Ų | 145.1 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 146.3 | 153.6 | -78 | -174.9 | 171 | 172.8 | -2.4 | 119.1 | ||||
| 341 | S | 24.3 | Very low | 31.2 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | 179.1 | 166.4 | 1.7 | 40.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 342 | H | 28.6 | Very low | 31.6 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 113.2 | 133.6 | 167.3 | -79.7 | -76.9 | 0 | 0 | 0 | 114.3 | ||||
| 343 | T | 29.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | -164.3 | 141.1 | -19.1 | -37.5 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 344 | Q | 30.1 | Very low | 32 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -116.6 | 122.9 | 168.6 | -167.9 | 170.9 | 25.5 | 0 | 0 | 108.1 | ||||
| 345 | E | 35.7 | Very low | 32.9 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -84.8 | 154.6 | 174.5 | -122.3 | -177 | 119.3 | 0 | 0 | 111.2 | ||||
| 346 | Q | 32.7 | Very low | 33.5 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -112.3 | 138 | -152.6 | -170.3 | -177.8 | 3 | 0 | 0 | 109.8 | V348 | Q346-V348 HydrophobicContact CG-CG2 3.91Š| ||
| 347 | I | 34.4 | Very low | 34.2 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -121.6 | 111.8 | 162.5 | -63.7 | 174.1 | 0 | 0 | 0 | 108.1 | ||||
| 348 | V | 34.6 | Very low | 34.6 | Very low | 94 Ų | 94 | 145 Ų | 145 | 57% | 0.57 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 120.9 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | Q346 | Q346-V348 HydrophobicContact CG-CG2 3.91Š|
| 349 | V | 36.1 | Very low | 34.6 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 116.9 | 163 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 350 | R | 32.4 | Very low | 36.1 | Very low | 212 Ų | 212 | 146 Ų | 146 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 131.5 | 171.7 | -79.8 | -177.8 | 167 | 87.3 | -1.2 | 109.5 | ||
| 351 | V | 36 | Very low | 37.5 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -97.5 | 110.3 | 165.2 | 169.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 352 | D | 38 | Very low | 38.8 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 118.8 | 163.7 | -90.8 | -63.7 | 0 | 0 | 0 | 108.2 | ||||
| 353 | G | 33.5 | Very low | 40.1 | Very low | 64 Ų | 64 | 142.8 Ų | 142.8 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | -94 | 138.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 354 | S | 33.8 | Very low | 41.4 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -154.2 | 125.9 | 160.6 | -72.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 355 | P | 46.9 | Very low | 42 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -101 | 140.3 | 171.8 | 33.7 | -25.3 | 0 | 0 | 0 | 111.5 | ||||
| 356 | Q | 42.5 | Very low | 42.3 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -150.6 | 161.8 | 167.7 | -117 | -160.9 | -27.3 | 0 | 0 | 110.4 | ||||
| 357 | P | 47 | Very low | 42.9 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | -121.5 | 172.5 | -111 | 31.5 | -11.9 | 0 | 0 | 0 | 114.8 | |||||
| 358 | D | 38.5 | Very low | 43.4 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -33.5 | 146.6 | 170.6 | -73.1 | -70.1 | 0 | 0 | 0 | 118 | ||||
| 359 | S | 40.7 | Very low | 43.9 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -179.6 | 161.1 | 138.5 | -73.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 360 | P | 55.6 | Low | 44.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | -123.9 | -174.7 | -80.1 | 29.8 | -6.4 | 0 | 0 | 0 | 112.5 | |||||
| 361 | P | 56.5 | Low | 45.3 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | trans | -106.1 | -169.2 | -165.1 | 47.9 | -38.6 | 0 | 0 | 0 | 112.9 | ||||
| 362 | P | 52.8 | Low | 46 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | -93.1 | 160.1 | -123.4 | 26.8 | -4.7 | 0 | 0 | 0 | 114.7 | |||||
| 363 | E | 55.3 | Low | 46.7 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 94% | 0.944 | 85% | 0.848 | S | S | * | * | trans | -76.4 | 150.6 | 166.8 | -86.5 | -179.6 | 124.1 | 0 | 0 | 112.3 | ||||
| 364 | V | 57.2 | Low | 47.9 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 100% | 1.303 | 87% | 0.865 | S | S | * | * | trans | -68 | 0 | -166.5 | 173.5 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 364 of 364 residues in 106.1 ms
(Link to these results)