| 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 | 42 | Very low | 62.9 | Low | 154 Ų | 154 | 147 Ų | 147 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | 0 | 115.5 | 0 | -99.5 | 165.2 | 65.5 | 0 | 0 | 109.6 | K3 | M1-K3 PolarHBondContact O-N 3.35Š| |||
| 2 | L | 39.3 | Very low | 64.5 | Low | 168 Ų | 168 | 141.4 Ų | 141.4 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | trans | -77.3 | 114.2 | 167.8 | -71.2 | 164.2 | 0 | 0 | 0 | 107.4 | C4 | L2-C4 PolarHBondContact O-N 3.49Š| ||
| 3 | K | 50.9 | Low | 65.7 | Low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | trans | -71.9 | 105.5 | 170.5 | -77.1 | 175.6 | 178.3 | 169.2 | 0 | 107.3 | M1 | M1-K3 PolarHBondContact O-N 3.35Š| ||
| 4 | C | 54.2 | Low | 66.5 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | -80.9 | 118.4 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | L2 | L2-C4 PolarHBondContact O-N 3.49Š| ||
| 5 | H | 66.6 | Low | 67.5 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 65% | 0.648 | 70% | 0.698 | S | S | * | * | trans | -91.5 | 114.9 | 166.7 | -69.8 | -89.5 | 0 | 0 | 0 | 107.9 | F7 | H5-F7 HydrophobicContact CB-CD2 4.16Å; H5-F7 HydrophobicContact CB-CE2 3.43Å; H5-F7 VanDerWaalsContact CB-CE2 3.43Å; H5-F7 HydrophobicContact CB-CZ 3.81Å | ||
| 6 | V | 70 | Confident | 68.5 | Low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -90.6 | 105.1 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | F | 68.6 | Low | 69.3 | Low | 172 Ų | 172 | 126.5 Ų | 126.5 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | trans | -91.1 | 126.1 | 172.3 | -62.4 | -83.5 | 0 | 0 | 0 | 108.9 | H5 | H5-F7 HydrophobicContact CB-CD2 4.16Å; H5-F7 HydrophobicContact CB-CE2 3.43Å; H5-F7 VanDerWaalsContact CB-CE2 3.43Å; H5-F7 HydrophobicContact CB-CZ 3.81Å | ||
| 8 | R | 67.6 | Low | 69.8 | Low | 240 Ų | 240 | 122.8 Ų | 122.8 | 91% | 0.906 | 65% | 0.648 | S | S | * | * | trans | -78.2 | 125.2 | 167 | -80.2 | -173.6 | 159.9 | 110.1 | -2.6 | 108.1 | ||||
| 9 | C | 73 | Confident | 70.6 | Confident | 80 Ų | 80 | 119.5 Ų | 119.5 | 54% | 0.541 | 64% | 0.635 | S | S | . | * | trans | -124.8 | 131.8 | 175.8 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | A11 I16 | C9-A11 PolarHBondContact O-N 3.46Å; C9-A11 PolarHBondContact SG-N 2.98Å; C9-I16 HydrophobicContact CB-CD1 3.87Å | ||
| 10 | E | 79.6 | Confident | 71.5 | Confident | 190 Ų | 190 | 118.5 Ų | 118.5 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -78.3 | -6.4 | 176.3 | -62.9 | -61.7 | 145.2 | 0 | 0 | 112.2 | ||
| 11 | A | 80.4 | Confident | 72.2 | Confident | 46 Ų | 46 | 119.4 Ų | 119.4 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -81 | 143.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C9 A13 I16 | C9-A11 PolarHBondContact O-N 3.46Å; C9-A11 PolarHBondContact SG-N 2.98Å; A11-A13 PolarHBondContact O-N 3.05Å; A11-I16 HydrophobicContact CB-CD1 4.35Å; A11-I16 HydrophobicContact CB-CG1 4.27Å |
| 12 | P | 82.5 | Confident | 74.3 | Confident | 80 Ų | 80 | 118.3 Ų | 118.3 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | trans | -56.2 | 132.2 | 176.2 | -24.8 | 33.4 | 0 | 0 | 0 | 112 | K14 N15 I16 | P12-K14 PolarHBondContact O-N 3.02Å; P12-N15 PolarHBondContact O-N 3.47Å; P12-I16 PolarHBondContact O-N 2.96Å | ||
| 13 | A | 79.9 | Confident | 76.5 | Confident | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -53.9 | -32.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A11 N15 I16 A17 | A11-A13 PolarHBondContact O-N 3.05Å; A13-N15 PolarHBondContact O-N 3.41Å; A13-I16 PolarHBondContact O-N 2.92Å; A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.38Å |
| 14 | K | 76.7 | Confident | 77.9 | Confident | 162 Ų | 162 | 109.2 Ų | 109.2 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59 | -44.2 | 175.5 | -174.7 | 179.7 | 178.3 | -176.8 | 0 | 112.1 | P12 A17 T18 | P12-K14 PolarHBondContact O-N 3.02Å; K14-A17 PolarHBondContact O-N 2.97Å; K14-T18 WeakPolarHBondContact O-CG2 3.35Å; K14-T18 PolarHBondContact O-N 3.46Å; K14-T18 PolarHBondContact O-OG1 3.15Å |
| 15 | N | 81.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 106.5 Ų | 106.5 | 47% | 0.465 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.5 | -39.6 | -177.4 | -65.3 | 1.6 | 0 | 0 | 0 | 110.8 | P12 A13 A17 T18 S19 | P12-N15 PolarHBondContact O-N 3.47Å; A13-N15 PolarHBondContact O-N 3.41Å; N15-A17 VanDerWaalsContact C-N 3.34Å; N15-T18 WeakPolarHBondContact CA-OG1 3.27Å; N15-T18 PolarHBondContact O-N 3.33Å; N15-T18 PolarHBondContact O-OG1 2.96Å; N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 3.43Å; N15-S19 PolarHBondContact O-OG 3.23Å |
| 16 | I | 83.1 | Confident | 79.9 | Confident | 65 Ų | 65 | 106 Ų | 106 | 33% | 0.333 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.5 | -46.5 | 174.9 | -56.6 | 173.5 | 0 | 0 | 0 | 109.7 | C9 A11 P12 A13 L20 | C9-I16 HydrophobicContact CB-CD1 3.87Å; A11-I16 HydrophobicContact CB-CD1 4.35Å; A11-I16 HydrophobicContact CB-CG1 4.27Å; P12-I16 PolarHBondContact O-N 2.96Å; A13-I16 PolarHBondContact O-N 2.92Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 3.42Å |
| 17 | A | 82.3 | Confident | 80.5 | Confident | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A13 K14 N15 H21 | A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.38Å; K14-A17 PolarHBondContact O-N 2.97Å; N15-A17 VanDerWaalsContact C-N 3.34Å; A17-H21 VanDerWaalsContact O-CB 3.26Å; A17-H21 WeakPolarHBondContact O-CB 3.41Å; A17-H21 PolarHBondContact O-N 2.92Å |
| 18 | T | 79.1 | Confident | 80.9 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 178.2 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | K14 N15 L20 H21 E22 | K14-T18 WeakPolarHBondContact O-CG2 3.35Å; K14-T18 PolarHBondContact O-N 3.46Å; K14-T18 PolarHBondContact O-OG1 3.15Å; N15-T18 WeakPolarHBondContact CA-OG1 3.27Å; N15-T18 PolarHBondContact O-N 3.33Å; N15-T18 PolarHBondContact O-OG1 2.96Å; T18-L20 PolarHBondContact O-N 2.91Å; T18-H21 PolarHBondContact O-N 2.96Å; T18-E22 WeakPolarHBondContact O-CG 2.99Å; T18-E22 PolarHBondContact O-N 3.48Å |
| 19 | S | 85.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | N15 E22 I23 | N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 3.43Å; N15-S19 PolarHBondContact O-OG 3.23Å; S19-E22 PolarHBondContact O-N 3.01Å; S19-I23 WeakPolarHBondContact O-CB 3.43Å; S19-I23 WeakPolarHBondContact O-CD1 3.5Å; S19-I23 WeakPolarHBondContact O-CG1 3.22Å; S19-I23 PolarHBondContact O-N 2.9Å |
| 20 | L | 87.9 | Confident | 81.2 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 173.7 | -74.7 | 173.4 | 0 | 0 | 0 | 111.6 | I16 T18 E22 I23 C24 | I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 3.42Å; T18-L20 PolarHBondContact O-N 2.91Å; L20-E22 PolarHBondContact O-N 3.48Å; L20-I23 PolarHBondContact O-N 3.49Å; L20-C24 VanDerWaalsContact O-CB 3.29Å; L20-C24 WeakPolarHBondContact O-CB 3.16Å; L20-C24 PolarHBondContact O-N 2.88Å; L20-C24 PolarHBondContact O-SG 3.32Å |
| 21 | H | 85.9 | Confident | 80.7 | Confident | 138 Ų | 138 | 92 Ų | 92 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 177.2 | -175.9 | 77 | 0 | 0 | 0 | 111.7 | A17 T18 C24 S25 | A17-H21 VanDerWaalsContact O-CB 3.26Å; A17-H21 WeakPolarHBondContact O-CB 3.41Å; A17-H21 PolarHBondContact O-N 2.92Å; T18-H21 PolarHBondContact O-N 2.96Å; H21-C24 PolarHBondContact O-N 3.49Å; H21-S25 WeakPolarHBondContact O-CB 3.48Å; H21-S25 PolarHBondContact O-N 2.83Å |
| 22 | E | 85.4 | Confident | 80.2 | Confident | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -47.8 | 177 | -75 | 171.3 | -173.9 | 0 | 0 | 112 | T18 S19 L20 S25 K26 | T18-E22 WeakPolarHBondContact O-CG 2.99Å; T18-E22 PolarHBondContact O-N 3.48Å; S19-E22 PolarHBondContact O-N 3.01Å; L20-E22 PolarHBondContact O-N 3.48Å; E22-S25 PolarHBondContact O-N 3.4Å; E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 3.35Å |
| 23 | I | 87.1 | Confident | 79.1 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 178.7 | -66.7 | 164.9 | 0 | 0 | 0 | 110.5 | S19 L20 S25 K26 I27 | S19-I23 WeakPolarHBondContact O-CB 3.43Å; S19-I23 WeakPolarHBondContact O-CD1 3.5Å; S19-I23 WeakPolarHBondContact O-CG1 3.22Å; S19-I23 PolarHBondContact O-N 2.9Å; L20-I23 PolarHBondContact O-N 3.49Å; I23-S25 PolarHBondContact O-N 2.94Å; I23-K26 PolarHBondContact O-N 3.36Å; I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.3Å |
| 24 | C | 79.4 | Confident | 78 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 178.4 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | L20 H21 I27 M28 | L20-C24 VanDerWaalsContact O-CB 3.29Å; L20-C24 WeakPolarHBondContact O-CB 3.16Å; L20-C24 PolarHBondContact O-N 2.88Å; L20-C24 PolarHBondContact O-SG 3.32Å; H21-C24 PolarHBondContact O-N 3.49Å; C24-I27 PolarHBondContact O-N 2.99Å; C24-M28 HydrophobicContact CB-CE 4.44Å; C24-M28 WeakPolarHBondContact O-CB 3.29Å; C24-M28 VanDerWaalsContact O-CG 3.28Å; C24-M28 WeakPolarHBondContact O-CG 3.32Å; C24-M28 PolarHBondContact O-N 3.38Å |
| 25 | S | 81.1 | Confident | 76.9 | Confident | 57 Ų | 57 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | H21 E22 I23 M28 S29 | H21-S25 WeakPolarHBondContact O-CB 3.48Å; H21-S25 PolarHBondContact O-N 2.83Å; E22-S25 PolarHBondContact O-N 3.4Å; I23-S25 PolarHBondContact O-N 2.94Å; S25-M28 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-OG 2.94Å |
| 26 | K | 81.4 | Confident | 75.3 | Confident | 128 Ų | 128 | 100.8 Ų | 100.8 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 175.4 | -174.1 | 175.1 | 177.3 | 179.4 | 0 | 112.5 | E22 I23 M28 S29 E30 | E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 3.35Å; I23-K26 PolarHBondContact O-N 3.36Å; K26-M28 VanDerWaalsContact C-N 3.3Å; K26-M28 PolarHBondContact O-N 3.31Å; K26-S29 PolarHBondContact O-N 2.83Å; K26-S29 PolarHBondContact O-OG 3.49Å; K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.28Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.18Å |
| 27 | I | 83.6 | Confident | 73.6 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 38% | 0.379 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.3 | -67.3 | 167.4 | 0 | 0 | 0 | 110.9 | I23 C24 R31 | I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.3Å; C24-I27 PolarHBondContact O-N 2.99Å; I27-R31 WeakPolarHBondContact O-CB 3.36Å; I27-R31 VanDerWaalsContact O-CG 3.31Å; I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.05Å |
| 28 | M | 77.2 | Confident | 71.7 | Confident | 123 Ų | 123 | 106.9 Ų | 106.9 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 178.7 | -75.8 | -170.1 | -69.6 | 0 | 0 | 112.4 | C24 S25 K26 R32 | C24-M28 HydrophobicContact CB-CE 4.44Å; C24-M28 WeakPolarHBondContact O-CB 3.29Å; C24-M28 VanDerWaalsContact O-CG 3.28Å; C24-M28 WeakPolarHBondContact O-CG 3.32Å; C24-M28 PolarHBondContact O-N 3.38Å; S25-M28 PolarHBondContact O-N 2.94Å; K26-M28 VanDerWaalsContact C-N 3.3Å; K26-M28 PolarHBondContact O-N 3.31Å; M28-R32 WeakPolarHBondContact O-CB 3.47Å; M28-R32 PolarHBondContact O-N 2.83Å |
| 29 | S | 72.4 | Confident | 70.1 | Confident | 55 Ų | 55 | 111.5 Ų | 111.5 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.5 | -40.4 | 177.1 | 67.4 | 0 | 0 | 0 | 0 | 112 | S25 K26 R32 N33 | S25-S29 PolarHBondContact O-N 2.94Å; S25-S29 PolarHBondContact O-OG 2.94Å; K26-S29 PolarHBondContact O-N 2.83Å; K26-S29 PolarHBondContact O-OG 3.49Å; S29-R32 WeakPolarHBondContact O-CB 3.33Å; S29-R32 PolarHBondContact O-N 3.23Å; S29-R32 VanDerWaalsContact O-N 3.15Å; S29-N33 PolarHBondContact O-N 2.93Å |
| 30 | E | 73.4 | Confident | 68.2 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 173.8 | -73.8 | 172.8 | -178.9 | 0 | 0 | 111.7 | K26 R32 N33 A34 | K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.28Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.4Å; K26-E30 PolarHBondContact O-N 3.18Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 3.05Å; E30-N33 PolarHBondContact O-N 3.15Å; E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.37Å |
| 31 | R | 69.9 | Low | 66 | Low | 169 Ų | 169 | 113.9 Ų | 113.9 | 64% | 0.638 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.7 | -25.7 | 173.9 | -76.6 | -177.8 | 177.2 | -174.7 | -0.3 | 113.6 | I27 R35 | I27-R31 WeakPolarHBondContact O-CB 3.36Å; I27-R31 VanDerWaalsContact O-CG 3.31Å; I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.05Å; R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; R31-R35 PolarHBondContact O-NE 3.41Å |
| 32 | R | 68.6 | Low | 64.4 | Low | 190 Ų | 190 | 113.3 Ų | 113.3 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.1 | -41.8 | 174.2 | -174.4 | 175.2 | -176.7 | 138.9 | 0.6 | 110.6 | M28 S29 E30 R35 C36 | M28-R32 WeakPolarHBondContact O-CB 3.47Å; M28-R32 PolarHBondContact O-N 2.83Å; S29-R32 WeakPolarHBondContact O-CB 3.33Å; S29-R32 PolarHBondContact O-N 3.23Å; S29-R32 VanDerWaalsContact O-N 3.15Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 3.05Å; R32-R35 PolarHBondContact O-N 2.97Å; R32-C36 PolarHBondContact O-N 2.93Å |
| 33 | N | 59.3 | Low | 62.3 | Low | 113 Ų | 113 | 115 Ų | 115 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.9 | -39.3 | 178.3 | -69.3 | -4.2 | 0 | 0 | 0 | 112.2 | S29 E30 R35 C36 L37 | S29-N33 PolarHBondContact O-N 2.93Å; E30-N33 PolarHBondContact O-N 3.15Å; N33-R35 PolarHBondContact O-N 3.13Å; N33-C36 WeakPolarHBondContact O-CB 3.4Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-C36 VanDerWaalsContact O-N 3.13Å; N33-L37 PolarHBondContact O-N 3.3Å |
| 34 | A | 57.5 | Low | 60 | Low | 53 Ų | 53 | 116.5 Ų | 116.5 | 44% | 0.438 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E30 C36 L37 V38 | E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.37Å; A34-C36 VanDerWaalsContact C-N 3.26Å; A34-C36 PolarHBondContact O-N 2.95Å; A34-L37 PolarHBondContact O-N 3.26Å; A34-L37 VanDerWaalsContact O-N 3.13Å; A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.22Å; A34-V38 PolarHBondContact O-N 3.4Å; A34-V38 VanDerWaalsContact O-N 3.17Å |
| 35 | R | 53.4 | Low | 58.4 | Low | 172 Ų | 172 | 122.8 Ų | 122.8 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65 | -27.9 | 173.8 | -82.8 | -178.4 | -83.5 | 173.9 | -8.3 | 113.3 | R31 R32 N33 L37 | R31-R35 WeakPolarHBondContact O-CG 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; R31-R35 PolarHBondContact O-NE 3.41Å; R32-R35 PolarHBondContact O-N 2.97Å; N33-R35 PolarHBondContact O-N 3.13Å; R35-L37 VanDerWaalsContact C-N 3.34Å |
| 36 | C | 49.1 | Very low | 56.5 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.4 | -26.1 | 174.2 | -132.1 | 0 | 0 | 0 | 0 | 112.6 | R32 N33 A34 | R32-C36 PolarHBondContact O-N 2.93Å; N33-C36 WeakPolarHBondContact O-CB 3.4Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-C36 VanDerWaalsContact O-N 3.13Å; A34-C36 VanDerWaalsContact C-N 3.26Å; A34-C36 PolarHBondContact O-N 2.95Å |
| 37 | L | 45.4 | Very low | 54.6 | Low | 149 Ų | 149 | 127.6 Ų | 127.6 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -85 | -25.9 | 178.7 | -160.1 | 71.2 | 0 | 0 | 0 | 113.1 | N33 A34 R35 | N33-L37 PolarHBondContact O-N 3.3Å; A34-L37 PolarHBondContact O-N 3.26Å; A34-L37 VanDerWaalsContact O-N 3.13Å; R35-L37 VanDerWaalsContact C-N 3.34Å |
| 38 | V | 43.9 | Very low | 52.6 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85 | -13.6 | -174.8 | 179.5 | 0 | 0 | 0 | 0 | 113.5 | A34 G40 | A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.22Å; A34-V38 PolarHBondContact O-N 3.4Å; A34-V38 VanDerWaalsContact O-N 3.17Å; V38-G40 PolarHBondContact O-N 3.13Å |
| 39 | N | 44 | Very low | 50.9 | Low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -3.5 | 173.2 | -86.5 | 21.4 | 0 | 0 | 0 | 114 | ||
| 40 | G | 45.7 | Very low | 49.6 | Very low | 61 Ų | 61 | 137 Ų | 137 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -21.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | V38 | V38-G40 PolarHBondContact O-N 3.13Š|
| 41 | L | 42.8 | Very low | 48.2 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -145 | 115.9 | -174.8 | -68 | 172.9 | 0 | 0 | 0 | 111.1 | L43 | L41-L43 PolarHBondContact O-N 3.17Š| ||
| 42 | S | 51.5 | Low | 47 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 88% | 0.881 | 74% | 0.735 | S | S | * | * | trans | -51.6 | 120.2 | 162.4 | 178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 43 | L | 41.7 | Very low | 45.8 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -137.7 | 128.9 | 167.6 | -154 | 81.4 | 0 | 0 | 0 | 112.2 | L41 | L41-L43 PolarHBondContact O-N 3.17Š| ||
| 44 | D | 38.8 | Very low | 45.3 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -41.8 | 134.2 | 178.7 | -157.5 | -20.2 | 0 | 0 | 0 | 115.4 | S46 | D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.15Å; D44-S46 PolarHBondContact OD1-OG 3.25Å | ||
| 45 | H | 45 | Very low | 44.8 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -84.7 | 18 | -166.5 | -146.9 | -46.3 | 0 | 0 | 0 | 114 | ||
| 46 | S | 41.8 | Very low | 44.3 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -99.9 | 0.8 | -153.8 | -59.4 | 0 | 0 | 0 | 0 | 116.9 | D44 | D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact O-N 3.15Å; D44-S46 PolarHBondContact OD1-OG 3.25Å | ||
| 47 | K | 41.1 | Very low | 43.9 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -149.4 | 59.2 | -176.9 | -64.7 | -168.9 | -178.3 | -178 | 0 | 116.1 | ||||
| 48 | L | 42.7 | Very low | 44 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -126.7 | 117.5 | 159.4 | -139.8 | 79.6 | 0 | 0 | 0 | 110.1 | D50 | L48-D50 PolarHBondContact O-N 3.42Š| ||
| 49 | V | 41.6 | Very low | 44.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -57.9 | 127.8 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 109 | V51 | V49-V51 PolarHBondContact O-N 3.21Š| ||
| 50 | D | 44.5 | Very low | 44.4 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -62 | 110.5 | -176.2 | -172 | 25.6 | 0 | 0 | 0 | 111.3 | L48 | L48-D50 PolarHBondContact O-N 3.42Š| ||
| 51 | V | 44.8 | Very low | 44.8 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | trans | -104.3 | 111.8 | 167.3 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | V49 F53 | V49-V51 PolarHBondContact O-N 3.21Å; V51-F53 HydrophobicContact CG1-CB 4.36Å; V51-F53 HydrophobicContact CG1-CD2 3.88Å; V51-F53 PolarHBondContact O-N 2.86Å | ||
| 52 | P | 43.3 | Very low | 45.2 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -82 | 69 | -177.9 | 34.6 | -33.5 | 0 | 0 | 0 | 109.2 | ||||
| 53 | F | 45 | Very low | 45.7 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -112.9 | 56.4 | 165.9 | -93.3 | -88.3 | 0 | 0 | 0 | 109.4 | V51 V55 | V51-F53 HydrophobicContact CG1-CB 4.36Å; V51-F53 HydrophobicContact CG1-CD2 3.88Å; V51-F53 PolarHBondContact O-N 2.86Å; F53-V55 HydrophobicContact CD1-CG2 4.13Å; F53-V55 PolarHBondContact O-N 3.28Å | ||
| 54 | Q | 47.7 | Very low | 47.1 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -78 | 65.2 | 157.9 | -73.4 | -173.5 | -22.2 | 0 | 0 | 109.1 | E56 | Q54-E56 PolarHBondContact O-N 3.48Š| ||
| 55 | V | 46.3 | Very low | 49.4 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | trans | -83.6 | 84.8 | 153.5 | -167.3 | 0 | 0 | 0 | 0 | 104.3 | F53 F57 | F53-V55 HydrophobicContact CD1-CG2 4.13Å; F53-V55 PolarHBondContact O-N 3.28Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.47Å | ||
| 56 | E | 43.3 | Very low | 51.7 | Low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -59.7 | 100.8 | 171.8 | -170.7 | 173 | -173.2 | 0 | 0 | 106.8 | Q54 P58 | Q54-E56 PolarHBondContact O-N 3.48Å; E56-P58 WeakPolarHBondContact O-CD 3.39Å; E56-P58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | F | 41.9 | Very low | 54.3 | Low | 177 Ų | 177 | 136 Ų | 136 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -56.8 | 120.9 | 171.5 | -134.7 | -94.3 | 0 | 0 | 0 | 105.2 | V55 A59 | V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.47Å; F57-A59 PolarHBondContact O-N 2.82Å | ||
| 58 | P | 47 | Very low | 57 | Low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | trans | -54.3 | 110.9 | -177.3 | -22.4 | 30.6 | 0 | 0 | 0 | 107.1 | E56 | E56-P58 WeakPolarHBondContact O-CD 3.39Å; E56-P58 VanDerWaalsContact O-N 3.14Å | ||
| 59 | A | 51 | Low | 59.7 | Low | 68 Ų | 68 | 126.9 Ų | 126.9 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | trans | -51.9 | 140.6 | 170 | 0 | 0 | 0 | 0 | 0 | 106.2 | F57 K61 | F57-A59 PolarHBondContact O-N 2.82Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.15Å | ||
| 60 | P | 44.8 | Very low | 62.4 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | trans | -48.9 | 106.5 | 175 | -22.1 | 30.4 | 0 | 0 | 0 | 106.8 | N62 | P60-N62 PolarHBondContact O-N 3.2Š| ||
| 61 | K | 54.1 | Low | 65 | Low | 174 Ų | 174 | 117.7 Ų | 117.7 | 76% | 0.757 | 61% | 0.608 | S | S | * | * | trans | -61.1 | 121.4 | 176.4 | -76 | -177 | 177.1 | -179.2 | 0 | 103.1 | A59 E63 | A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.15Å; K61-E63 HydrophobicContact CB-CG 4.43Å; K61-E63 PolarHBondContact O-N 3.29Å | ||
| 62 | N | 50.5 | Low | 67.5 | Low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 58% | 0.581 | S | S | * | * | trans | -63.6 | 83.6 | 172.1 | -169.4 | 7.7 | 0 | 0 | 0 | 105.9 | P60 L64 | P60-N62 PolarHBondContact O-N 3.2Å; N62-L64 PolarHBondContact O-N 2.94Å | ||
| 63 | E | 63.1 | Low | 70.1 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | trans | -67.4 | 124.2 | 179.2 | -69.7 | -163.7 | 159.8 | 0 | 0 | 105.8 | K61 V65 P112 | K61-E63 HydrophobicContact CB-CG 4.43Å; K61-E63 PolarHBondContact O-N 3.29Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.32Å; E63-P112 HydrophobicContact CB-CG 4.2Å; E63-P112 HydrophobicContact CG-CG 4.43Å | ||
| 64 | L | 70.5 | Confident | 72.6 | Confident | 144 Ų | 144 | 102 Ų | 102 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | trans | -64.9 | 96.7 | -179.3 | -64.6 | 170.6 | 0 | 0 | 0 | 108.2 | N62 | N62-L64 PolarHBondContact O-N 2.94Š| ||
| 65 | V | 86.7 | Confident | 75 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | trans | -93.7 | 117.6 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | E63 S109 A111 | E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.32Å; V65-S109 WeakPolarHBondContact CG1-OG 3.15Å; V65-A111 HydrophobicContact CG2-CB 4.1Å | ||
| 66 | Q | 94.6 | Very high | 77.5 | Confident | 102 Ų | 102 | 93.7 Ų | 93.7 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.6 | 176.4 | -65.7 | 179.7 | 70.1 | 0 | 0 | 109.5 | F68 S109 V110 | Q66-F68 HydrophobicContact CB-CD2 4.48Å; Q66-F68 HydrophobicContact CB-CE2 3.53Å; Q66-F68 HydrophobicContact CB-CZ 3.84Å; Q66-S109 CarbonylContact O-C 3.59Å; Q66-S109 WeakPolarHBondContact O-CA 3.28Å; Q66-V110 PolarHBondContact N-O 3.43Å; Q66-V110 VanDerWaalsContact N-O 3.15Å; Q66-V110 PolarHBondContact O-N 3.09Å |
| 67 | K | 96.4 | Very high | 80.1 | Confident | 116 Ų | 116 | 91 Ų | 91 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.4 | 176.9 | -72.2 | -169.2 | 170.7 | -153.9 | 0 | 110.1 | H107 V108 E123 | K67-H107 PolarHBondContact NZ-NE2 3.48Å; K67-V108 WeakPolarHBondContact CA-O 3.37Å; K67-E123 IonicContact NZ-OE1 3.78Å; K67-E123 IonicContact NZ-OE2 3.96Å; K67-E123 PolarHBondContact NZ-OE2 2.78Å |
| 68 | F | 98.1 | Very high | 82.8 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 13% | 0.132 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125 | -179.6 | -60.9 | -89.9 | 0 | 0 | 0 | 110.4 | Q66 H107 V108 V110 L171 A174 | Q66-F68 HydrophobicContact CB-CD2 4.48Å; Q66-F68 HydrophobicContact CB-CE2 3.53Å; Q66-F68 HydrophobicContact CB-CZ 3.84Å; F68-H107 CarbonylContact O-C 3.45Å; F68-H107 WeakPolarHBondContact O-CA 3.01Å; F68-H107 WeakPolarHBondContact O-CB 3.38Å; F68-V108 PolarHBondContact N-O 3.2Å; F68-V108 PolarHBondContact O-N 3.06Å; F68-V110 HydrophobicContact CD2-CG2 3.89Å; F68-V110 HydrophobicContact CE2-CB 4.28Å; F68-V110 HydrophobicContact CE2-CG2 3.75Å; F68-L171 HydrophobicContact CB-CD1 4.07Å; F68-L171 HydrophobicContact CD1-CB 4.41Å; F68-L171 HydrophobicContact CD2-CD1 3.76Å; F68-L171 HydrophobicContact CE2-CD1 4.43Å; F68-L171 HydrophobicContact CG-CB 4.37Å; F68-L171 HydrophobicContact CG-CD1 3.92Å; F68-A174 HydrophobicContact CE1-CB 4.31Å; F68-A174 HydrophobicContact CE2-CB 3.52Å; F68-A174 HydrophobicContact CZ-CB 3.33Å |
| 69 | Q | 98.1 | Very high | 85.1 | Confident | 148 Ų | 148 | 83.3 Ų | 83.3 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.3 | 173.5 | -68.1 | -176.8 | 6.7 | 0 | 0 | 110.1 | ||
| 70 | V | 98.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 85.5 Ų | 85.5 | 4% | 0.042 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 170.6 | -177.5 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | S106 V108 F162 W163 C164 L171 | V70-S106 PolarHBondContact N-O 3.4Å; V70-S106 CarbonylContact O-C 3.44Å; V70-S106 WeakPolarHBondContact O-CA 3.4Å; V70-S106 PolarHBondContact O-N 3.16Å; V70-V108 HydrophobicContact CG2-CG2 3.76Å; V70-F162 HydrophobicContact CG2-CD1 3.86Å; V70-W163 WeakPolarHBondContact CA-O 3.38Å; V70-W163 WeakPolarHBondContact CB-O 3.42Å; V70-C164 HydrophobicContact CG1-CB 4.29Å; V70-C164 VanDerWaalsContact CG1-SG 3.6Å; V70-L171 HydrophobicContact CG1-CD2 3.85Å |
| 71 | Y | 98.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 30% | 0.302 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.2 | 162.6 | -61.2 | -97.2 | 0 | 0 | 0 | 109.2 | W103 P105 F162 W163 | Y71-W103 HydrophobicContact CD1-CB 4.19Å; Y71-W103 HydrophobicContact CG-CB 4.4Å; Y71-W103 HydrophobicContact CG-CE3 4.43Å; Y71-P105 HydrophobicContact CD1-CB 4.37Å; Y71-P105 HydrophobicContact CD1-CG 4.25Å; Y71-P105 HydrophobicContact CE1-CB 4.24Å; Y71-P105 HydrophobicContact CE1-CG 4.06Å; Y71-F162 CarbonylContact O-C 3.58Å; Y71-F162 VanDerWaalsContact O-CA 3.31Å; Y71-F162 WeakPolarHBondContact O-CA 3.31Å; Y71-W163 PolarHBondContact N-O 3.14Å; Y71-W163 PolarHBondContact O-N 3.22Å |
| 72 | Y | 98.5 | Very high | 92 | Very high | 16 Ų | 16 | 76.8 Ų | 76.8 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.5 | 174 | -174.5 | -131.9 | 0 | 0 | 0 | 109.4 | G74 N75 T104 S106 I117 L126 H160 M161 F162 | Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 WeakPolarHBondContact CE2-O 3.43Å; Y72-G74 VanDerWaalsContact CZ-CA 3.45Å; Y72-G74 VanDerWaalsContact CZ-O 3.29Å; Y72-G74 PolarHBondContact OH-O 2.79Å; Y72-N75 WeakPolarHBondContact OH-CB 3.38Å; Y72-N75 PolarHBondContact OH-N 2.74Å; Y72-N75 PolarHBondContact OH-ND2 3.03Å; Y72-T104 PolarHBondContact N-O 2.98Å; Y72-T104 PolarHBondContact O-N 2.72Å; Y72-S106 WeakPolarHBondContact CB-OG 3.45Å; Y72-I117 HydrophobicContact CD1-CG2 4.28Å; Y72-I117 HydrophobicContact CD2-CD1 4.4Å; Y72-I117 HydrophobicContact CD2-CG2 4.18Å; Y72-I117 HydrophobicContact CE2-CD1 3.9Å; Y72-I117 HydrophobicContact CG-CG2 4.01Å; Y72-L126 HydrophobicContact CD1-CB 4.45Å; Y72-L126 HydrophobicContact CD1-CD1 4.19Å; Y72-H160 HydrophobicContact CE2-CB 4.33Å; Y72-H160 AromaticContact CZ-ND1 3.88Å; Y72-H160 PolarHBondContact OH-ND1 3.21Å; Y72-M161 VanDerWaalsContact CD2-O 3.32Å; Y72-M161 WeakPolarHBondContact CD2-O 3.31Å; Y72-F162 AromaticContact CD2-CD1 3.73Å; Y72-F162 HydrophobicContact CD2-CD1 3.73Å; Y72-F162 AromaticContact CD2-CE1 3.38Å; Y72-F162 HydrophobicContact CD2-CE1 3.38Å; Y72-F162 AromaticContact CD2-CZ 3.94Å; Y72-F162 HydrophobicContact CD2-CZ 3.94Å; Y72-F162 AromaticContact CE2-CE1 3.88Å; Y72-F162 HydrophobicContact CE2-CE1 3.88Å; Y72-F162 AromaticContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CG-CE1 4.34Å |
| 73 | L | 98.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -7.2 | -179.3 | -51.5 | -177.8 | 0 | 0 | 0 | 111.8 | L91 V94 L95 W103 M161 W163 | L73-L91 HydrophobicContact CD1-CD2 4.21Å; L73-V94 HydrophobicContact CB-CG1 4.22Å; L73-V94 HydrophobicContact CB-CG2 4.23Å; L73-V94 HydrophobicContact CD1-CG1 4.18Å; L73-V94 WeakPolarHBondContact O-CG2 3.39Å; L73-L95 HydrophobicContact CD1-CD2 4.13Å; L73-W103 HydrophobicContact CD2-CB 3.99Å; L73-W103 HydrophobicContact CD2-CD2 3.29Å; L73-W103 HydrophobicContact CD2-CE3 3.78Å; L73-W103 HydrophobicContact CD2-CG 3.38Å; L73-W103 HydrophobicContact CD2-CZ2 4.26Å; L73-W103 HydrophobicContact CD2-CZ3 4.43Å; L73-M161 HydrophobicContact CB-CB 3.98Å; L73-M161 WeakPolarHBondContact CB-O 3.27Å; L73-M161 HydrophobicContact CD1-CB 4.22Å; L73-M161 PolarHBondContact N-O 2.95Å; L73-W163 HydrophobicContact CD2-CB 4.13Å |
| 74 | G | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 69 Ų | 69 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.1 | -162.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y72 M161 | Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 WeakPolarHBondContact CE2-O 3.43Å; Y72-G74 VanDerWaalsContact CZ-CA 3.45Å; Y72-G74 VanDerWaalsContact CZ-O 3.29Å; Y72-G74 PolarHBondContact OH-O 2.79Å; G74-M161 PolarHBondContact O-N 3.2Å; G74-M161 VanDerWaalsContact O-N 3.11Å |
| 75 | N | 97.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 67 Ų | 67 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152 | 176.9 | 63.9 | 86 | 0 | 0 | 0 | 111.4 | Y72 C158 C159 | Y72-N75 WeakPolarHBondContact OH-CB 3.38Å; Y72-N75 PolarHBondContact OH-N 2.74Å; Y72-N75 PolarHBondContact OH-ND2 3.03Å; N75-C158 VanDerWaalsContact CB-SG 3.58Å; N75-C158 PolarHBondContact OD1-SG 2.86Å; N75-C159 CarbonylContact C-O 3.54Å; N75-C159 WeakPolarHBondContact CA-O 3.47Å; N75-C159 VanDerWaalsContact CB-O 3.3Å; N75-C159 WeakPolarHBondContact CB-O 3.48Å |
| 76 | V | 97.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 64.6 Ų | 64.6 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.9 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | V78 A90 C158 C159 M161 | V76-V78 HydrophobicContact CG2-CG1 4.36Å; V76-A90 HydrophobicContact CG2-CB 3.69Å; V76-C158 WeakPolarHBondContact O-CA 3.43Å; V76-C159 HydrophobicContact CG2-CB 4.32Å; V76-C159 PolarHBondContact N-O 3.26Å; V76-C159 PolarHBondContact O-N 3.34Å; V76-M161 HydrophobicContact CB-CE 4.39Å; V76-M161 HydrophobicContact CG1-CE 3.95Å; V76-M161 HydrophobicContact CG2-CE 3.77Å; V76-M161 HydrophobicContact CG2-SD 4.48Å |
| 77 | P | 97.9 | Very high | 97.9 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 76% | 0.76 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142.2 | 171.7 | 28.6 | -33.8 | 0 | 0 | 0 | 110.4 | F157 | P77-F157 WeakPolarHBondContact CA-O 3.41Å |
| 78 | V | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.7 | 177.7 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | V76 V86 A90 I149 F157 C159 | V76-V78 HydrophobicContact CG2-CG1 4.36Å; V78-V86 HydrophobicContact CB-CG1 3.69Å; V78-V86 HydrophobicContact CG1-CG1 3.9Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å; V78-A90 HydrophobicContact CG1-CB 4.48Å; V78-I149 HydrophobicContact CG2-CD1 4.18Å; V78-I149 HydrophobicContact CG2-CG1 4.34Å; V78-I149 HydrophobicContact CG2-CG2 3.8Å; V78-F157 HydrophobicContact CG2-CB 3.65Å; V78-F157 PolarHBondContact N-O 2.82Å; V78-F157 WeakPolarHBondContact O-CB 3.31Å; V78-C159 HydrophobicContact CG1-CB 3.59Å; V78-C159 HydrophobicContact CG2-CB 4.28Å |
| 79 | A | 96.4 | Very high | 98 | Very high | 97 Ų | 97 | 55 Ų | 55 | 80% | 0.802 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -77.5 | -22.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 80 | K | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 48.5 Ų | 48.5 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | trans | -125.3 | 147.4 | -174.7 | -62.4 | 177.9 | -173.6 | 170.5 | 0 | 110.8 | V82 V86 | K80-V82 VanDerWaalsContact C-N 3.29Å; K80-V82 PolarHBondContact O-N 3.29Å; K80-V86 HydrophobicContact CB-CG2 4.03Å; K80-V86 HydrophobicContact CD-CG2 4.07Å; K80-V86 HydrophobicContact CG-CG2 4.49Å | ||
| 81 | P | 97.9 | Very high | 98 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -73.4 | -20.7 | 178.6 | 27.4 | -33.1 | 0 | 0 | 0 | 113.7 | S135 F136 F157 | P81-S135 WeakPolarHBondContact O-CB 3.34Å; P81-S135 PolarHBondContact O-OG 3.07Å; P81-F136 VanDerWaalsContact O-CB 3.29Å; P81-F136 WeakPolarHBondContact O-CB 3.47Å; P81-F157 HydrophobicContact CB-CD1 3.82Å; P81-F157 HydrophobicContact CB-CE1 3.56Å; P81-F157 HydrophobicContact CB-CE2 4.36Å; P81-F157 HydrophobicContact CB-CG 4.36Å; P81-F157 HydrophobicContact CB-CZ 3.85Å; P81-F157 HydrophobicContact CG-CE1 4.29Å; P81-F157 HydrophobicContact CG-CE2 4.44Å; P81-F157 HydrophobicContact CG-CZ 4.07Å |
| 82 | V | 98.4 | Very high | 98 | Very high | 75 Ų | 75 | 49 Ų | 49 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | trans | -142.4 | 153.6 | -173.4 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | K80 F136 | K80-V82 VanDerWaalsContact C-N 3.29Å; K80-V82 PolarHBondContact O-N 3.29Å; V82-F136 HydrophobicContact CB-CB 4.28Å; V82-F136 HydrophobicContact CB-CD2 4.04Å; V82-F136 HydrophobicContact CB-CG 4.14Å; V82-F136 HydrophobicContact CG1-CB 4.08Å; V82-F136 HydrophobicContact CG1-CD2 4.16Å; V82-F136 HydrophobicContact CG1-CG 4.34Å | ||
| 83 | G | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | trans | 141.1 | 122.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D85 V86 I87 F136 | G83-D85 VanDerWaalsContact CA-OD1 3.27Å; G83-D85 WeakPolarHBondContact CA-OD1 3.35Å; G83-D85 PolarHBondContact O-N 3.14Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 2.8Å; G83-I87 PolarHBondContact O-N 3.24Å; G83-I87 VanDerWaalsContact O-N 3.13Å; G83-F136 WeakPolarHBondContact O-CE1 3.09Å | ||
| 84 | V | 97.5 | Very high | 97.8 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -35 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | V86 N88 F136 | V84-V86 VanDerWaalsContact C-N 3.34Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.48Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 PolarHBondContact O-N 3.3Å; V84-N88 PolarHBondContact O-ND2 3.22Å; V84-F136 HydrophobicContact CG2-CE1 4.15Å; V84-F136 HydrophobicContact CG2-CZ 3.73Å |
| 85 | D | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 53.6 Ų | 53.6 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 171.4 | 59.6 | -44.1 | 0 | 0 | 0 | 112.1 | G83 N88 G89 | G83-D85 VanDerWaalsContact CA-OD1 3.27Å; G83-D85 WeakPolarHBondContact CA-OD1 3.35Å; G83-D85 PolarHBondContact O-N 3.14Å; D85-N88 PolarHBondContact O-N 3.48Å; D85-G89 PolarHBondContact O-N 3.41Å |
| 86 | V | 98.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | V78 K80 G83 V84 A90 I149 | V78-V86 HydrophobicContact CB-CG1 3.69Å; V78-V86 HydrophobicContact CG1-CG1 3.9Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å; K80-V86 HydrophobicContact CB-CG2 4.03Å; K80-V86 HydrophobicContact CD-CG2 4.07Å; K80-V86 HydrophobicContact CG-CG2 4.49Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 2.8Å; V84-V86 VanDerWaalsContact C-N 3.34Å; V86-A90 PolarHBondContact O-N 3.01Å; V86-A90 VanDerWaalsContact O-N 3.14Å; V86-I149 HydrophobicContact CB-CD1 4.47Å; V86-I149 HydrophobicContact CG1-CD1 4.03Å |
| 87 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 176.6 | -80.4 | -179.1 | 0 | 0 | 0 | 111 | G83 G89 A90 L91 F136 A138 A147 I149 | G83-I87 PolarHBondContact O-N 3.24Å; G83-I87 VanDerWaalsContact O-N 3.13Å; I87-G89 VanDerWaalsContact C-N 3.33Å; I87-G89 PolarHBondContact O-N 3.33Å; I87-A90 PolarHBondContact O-N 3.15Å; I87-L91 HydrophobicContact CG2-CD1 3.67Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 2.92Å; I87-F136 HydrophobicContact CD1-CD1 3.41Å; I87-F136 VanDerWaalsContact CD1-CD1 3.41Å; I87-F136 HydrophobicContact CD1-CE1 3.65Å; I87-F136 HydrophobicContact CG1-CD1 4.1Å; I87-F136 HydrophobicContact CG1-CE1 4.33Å; I87-A138 HydrophobicContact CD1-CB 3.76Å; I87-A147 HydrophobicContact CD1-CB 4.23Å; I87-A147 HydrophobicContact CG1-CB 4.23Å; I87-A147 HydrophobicContact CG2-CB 3.68Å; I87-I149 HydrophobicContact CD1-CG1 4.39Å; I87-I149 HydrophobicContact CG1-CD1 4.09Å; I87-I149 HydrophobicContact CG1-CG1 4.09Å |
| 88 | N | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -36.6 | -177.4 | -77.2 | -65.4 | 0 | 0 | 0 | 111.9 | V84 D85 A90 L91 E92 G140 R141 | V84-N88 WeakPolarHBondContact CG1-ND2 3.48Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 PolarHBondContact O-N 3.3Å; V84-N88 PolarHBondContact O-ND2 3.22Å; D85-N88 PolarHBondContact O-N 3.48Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.28Å; N88-L91 PolarHBondContact O-N 2.78Å; N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.26Å; N88-E92 PolarHBondContact O-N 2.81Å; N88-G140 VanDerWaalsContact OD1-CA 3.3Å; N88-G140 WeakPolarHBondContact OD1-CA 3.47Å; N88-R141 PolarHBondContact OD1-N 3.05Å |
| 89 | G | 98.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D85 I87 S93 | D85-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact C-N 3.33Å; I87-G89 PolarHBondContact O-N 3.33Å; G89-S93 WeakPolarHBondContact O-CB 3.37Å; G89-S93 PolarHBondContact O-N 2.8Å; G89-S93 VanDerWaalsContact O-N 3.14Å |
| 90 | A | 98.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 54 Ų | 54 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V76 V78 V86 I87 N88 S93 V94 C159 M161 | V76-A90 HydrophobicContact CG2-CB 3.69Å; V78-A90 HydrophobicContact CG1-CB 4.48Å; V86-A90 PolarHBondContact O-N 3.01Å; V86-A90 VanDerWaalsContact O-N 3.14Å; I87-A90 PolarHBondContact O-N 3.15Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.28Å; A90-S93 PolarHBondContact O-N 3.2Å; A90-V94 PolarHBondContact O-N 3.16Å; A90-V94 VanDerWaalsContact O-N 3.09Å; A90-C159 HydrophobicContact CB-CB 4.44Å; A90-M161 HydrophobicContact CB-SD 3.73Å |
| 91 | L | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -47 | 177.6 | -77 | 167 | 0 | 0 | 0 | 112 | L73 I87 N88 S93 V94 L95 T145 A147 M161 | L73-L91 HydrophobicContact CD1-CD2 4.21Å; I87-L91 HydrophobicContact CG2-CD1 3.67Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.3Å; I87-L91 PolarHBondContact O-N 2.92Å; N88-L91 PolarHBondContact O-N 2.78Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.68Å; L91-V94 VanDerWaalsContact O-CG1 3.28Å; L91-V94 WeakPolarHBondContact O-CG1 3.49Å; L91-V94 PolarHBondContact O-N 3.47Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.03Å; L91-T145 HydrophobicContact CD2-CG2 4.39Å; L91-A147 HydrophobicContact CD1-CB 4.35Å; L91-A147 HydrophobicContact CG-CB 4.48Å; L91-M161 HydrophobicContact CD2-CB 3.77Å; L91-M161 HydrophobicContact CD2-CG 3.74Å; L91-M161 HydrophobicContact CD2-SD 4.06Å; L91-M161 HydrophobicContact CG-CG 4.17Å; L91-M161 HydrophobicContact CG-SD 4.23Å |
| 92 | E | 97.1 | Very high | 95.8 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 178.1 | -74.1 | 169.4 | -168.4 | 0 | 0 | 111.6 | N88 S96 R141 | N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 VanDerWaalsContact O-CG 3.28Å; N88-E92 WeakPolarHBondContact O-CG 3.26Å; N88-E92 PolarHBondContact O-N 2.81Å; E92-S96 VanDerWaalsContact O-CB 3.23Å; E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å; E92-R141 IonicContact OE1-CZ 3.63Å; E92-R141 IonicContact OE1-NE 2.69Å; E92-R141 IonicContact OE1-NH1 3.84Å; E92-R141 PolarHBondContact OE1-NH1 2.77Å; E92-R141 IonicContact OE2-NH1 3.71Å |
| 93 | S | 96.6 | Very high | 95.7 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.6 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | G89 A90 L91 S96 S97 | G89-S93 WeakPolarHBondContact O-CB 3.37Å; G89-S93 PolarHBondContact O-N 2.8Å; G89-S93 VanDerWaalsContact O-N 3.14Å; A90-S93 PolarHBondContact O-N 3.2Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.68Å; S93-S96 PolarHBondContact O-OG 3.02Å; S93-S96 VanDerWaalsContact O-OG 3.11Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.37Å; S93-S97 PolarHBondContact O-OG 2.82Å |
| 94 | V | 96.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.8 | -39 | 179.7 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | L73 A90 L91 S96 S97 S98 M161 | L73-V94 HydrophobicContact CB-CG1 4.22Å; L73-V94 HydrophobicContact CB-CG2 4.23Å; L73-V94 HydrophobicContact CD1-CG1 4.18Å; L73-V94 WeakPolarHBondContact O-CG2 3.39Å; A90-V94 PolarHBondContact O-N 3.16Å; A90-V94 VanDerWaalsContact O-N 3.09Å; L91-V94 VanDerWaalsContact O-CG1 3.28Å; L91-V94 WeakPolarHBondContact O-CG1 3.49Å; L91-V94 PolarHBondContact O-N 3.47Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.86Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 2.91Å; V94-S98 WeakPolarHBondContact O-CB 3.5Å; V94-S98 PolarHBondContact O-N 3.01Å; V94-S98 PolarHBondContact O-OG 3.45Å; V94-M161 HydrophobicContact CB-CE 4.23Å; V94-M161 HydrophobicContact CB-SD 4.47Å; V94-M161 HydrophobicContact CG1-CE 4.08Å; V94-M161 HydrophobicContact CG1-SD 3.8Å |
| 95 | L | 95.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.1 | -29.1 | -179.5 | -66.6 | 173.1 | 0 | 0 | 0 | 112.9 | L73 L91 W103 T145 W163 | L73-L95 HydrophobicContact CD1-CD2 4.13Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.03Å; L95-W103 HydrophobicContact CD2-CH2 3.87Å; L95-W103 HydrophobicContact CD2-CZ2 3.41Å; L95-W103 VanDerWaalsContact CD2-CZ2 3.41Å; L95-T145 HydrophobicContact CD1-CG2 3.94Å; L95-W163 HydrophobicContact CD2-CE3 4.31Å; L95-W163 HydrophobicContact CD2-CZ3 4.45Å |
| 96 | S | 95.3 | Very high | 95.8 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.1 | -22.8 | 174.7 | 57 | 0 | 0 | 0 | 0 | 113.6 | E92 S93 V94 | E92-S96 VanDerWaalsContact O-CB 3.23Å; E92-S96 WeakPolarHBondContact O-CB 3.4Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å; S93-S96 PolarHBondContact O-OG 3.02Å; S93-S96 VanDerWaalsContact O-OG 3.11Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.86Å |
| 97 | S | 92.5 | Very high | 95.7 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -104.3 | -14.8 | -174.7 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S93 V94 | S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.37Å; S93-S97 PolarHBondContact O-OG 2.82Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 2.91Å |
| 98 | S | 91.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | trans | -125 | 141.9 | -178 | 66 | 0 | 0 | 0 | 0 | 111.6 | V94 W103 | V94-S98 WeakPolarHBondContact O-CB 3.5Å; V94-S98 PolarHBondContact O-N 3.01Å; V94-S98 PolarHBondContact O-OG 3.45Å; S98-W103 PolarHBondContact OG-NE1 2.91Å | ||
| 99 | S | 92.2 | Very high | 95.7 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | trans | -92.2 | 162.1 | 170.5 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | E101 Q102 W103 | S99-E101 WeakPolarHBondContact CB-OE2 3.4Å; S99-E101 PolarHBondContact O-N 3.42Å; S99-E101 VanDerWaalsContact O-N 3.16Å; S99-E101 PolarHBondContact OG-OE2 3.4Å; S99-Q102 WeakPolarHBondContact O-CB 3.46Å; S99-Q102 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact OG-NE2 2.82Å; S99-W103 VanDerWaalsContact O-CD1 3.31Å; S99-W103 PolarHBondContact O-NE1 3.18Å | ||
| 100 | R | 90.2 | Very high | 95.7 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -60.4 | -28.6 | -174.8 | -170.6 | 167.4 | -177.5 | 164 | 5.9 | 113.2 | Q102 W103 E165 | R100-Q102 PolarHBondContact O-N 2.93Å; R100-W103 HydrophobicContact CB-CD2 4.45Å; R100-W103 HydrophobicContact CB-CE3 4.3Å; R100-W103 HydrophobicContact CB-CH2 4.4Å; R100-W103 HydrophobicContact CB-CZ3 4.28Å; R100-W103 HydrophobicContact CG-CD2 4.33Å; R100-W103 HydrophobicContact CG-CE3 3.75Å; R100-W103 HydrophobicContact CG-CH2 4.32Å; R100-W103 HydrophobicContact CG-CZ3 3.74Å; R100-W103 PolarHBondContact O-N 2.79Å; R100-E165 IonicContact CZ-OE1 3.95Å; R100-E165 IonicContact NH1-OE1 3.49Å; R100-E165 IonicContact NH2-OE1 2.71Å; R100-E165 PolarHBondContact NH2-OE1 3.2Å |
| 101 | E | 90.8 | Very high | 95.5 | Very high | 160 Ų | 160 | 50.8 Ų | 50.8 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.7 | 177.9 | -56.6 | 71.9 | -153.1 | 0 | 0 | 112.8 | S99 | S99-E101 WeakPolarHBondContact CB-OE2 3.4Å; S99-E101 PolarHBondContact O-N 3.42Å; S99-E101 VanDerWaalsContact O-N 3.16Å; S99-E101 PolarHBondContact OG-OE2 3.4Å |
| 102 | Q | 92.7 | Very high | 95 | Very high | 128 Ų | 128 | 51.8 Ų | 51.8 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -89.4 | -13.1 | 179.9 | -59.2 | 173.3 | 34.3 | 0 | 0 | 112.3 | S99 R100 | S99-Q102 WeakPolarHBondContact O-CB 3.46Å; S99-Q102 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact OG-NE2 2.82Å; R100-Q102 PolarHBondContact O-N 2.93Å |
| 103 | W | 96.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -73.4 | 138.8 | -178.6 | -55.7 | -14.3 | 0 | 0 | 0 | 110.7 | Y71 L73 L95 S98 S99 R100 P105 W163 | Y71-W103 HydrophobicContact CD1-CB 4.19Å; Y71-W103 HydrophobicContact CG-CB 4.4Å; Y71-W103 HydrophobicContact CG-CE3 4.43Å; L73-W103 HydrophobicContact CD2-CB 3.99Å; L73-W103 HydrophobicContact CD2-CD2 3.29Å; L73-W103 HydrophobicContact CD2-CE3 3.78Å; L73-W103 HydrophobicContact CD2-CG 3.38Å; L73-W103 HydrophobicContact CD2-CZ2 4.26Å; L73-W103 HydrophobicContact CD2-CZ3 4.43Å; L95-W103 HydrophobicContact CD2-CH2 3.87Å; L95-W103 HydrophobicContact CD2-CZ2 3.41Å; L95-W103 VanDerWaalsContact CD2-CZ2 3.41Å; S98-W103 PolarHBondContact OG-NE1 2.91Å; S99-W103 VanDerWaalsContact O-CD1 3.31Å; S99-W103 PolarHBondContact O-NE1 3.18Å; R100-W103 HydrophobicContact CB-CD2 4.45Å; R100-W103 HydrophobicContact CB-CE3 4.3Å; R100-W103 HydrophobicContact CB-CH2 4.4Å; R100-W103 HydrophobicContact CB-CZ3 4.28Å; R100-W103 HydrophobicContact CG-CD2 4.33Å; R100-W103 HydrophobicContact CG-CE3 3.75Å; R100-W103 HydrophobicContact CG-CH2 4.32Å; R100-W103 HydrophobicContact CG-CZ3 3.74Å; R100-W103 PolarHBondContact O-N 2.79Å; W103-P105 VanDerWaalsContact O-CD 3.27Å; W103-P105 WeakPolarHBondContact O-CD 3.3Å; W103-W163 HydrophobicContact CE3-CB 3.97Å; W103-W163 HydrophobicContact CE3-CD2 4.46Å; W103-W163 HydrophobicContact CE3-CG 4.06Å; W103-W163 AromaticContact CH2-CD2 3.78Å; W103-W163 HydrophobicContact CH2-CD2 3.78Å; W103-W163 AromaticContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CG 4.23Å; W103-W163 HydrophobicContact CH2-CZ3 4.06Å; W103-W163 HydrophobicContact CZ3-CB 3.78Å; W103-W163 AromaticContact CZ3-CD1 3.98Å; W103-W163 AromaticContact CZ3-CD2 3.43Å; W103-W163 HydrophobicContact CZ3-CD2 3.43Å; W103-W163 VanDerWaalsContact CZ3-CD2 3.43Å; W103-W163 AromaticContact CZ3-CE3 3.74Å; W103-W163 HydrophobicContact CZ3-CE3 3.74Å; W103-W163 AromaticContact CZ3-CG 3.44Å; W103-W163 HydrophobicContact CZ3-CG 3.44Å; W103-W163 VanDerWaalsContact CZ3-CG 3.44Å |
| 104 | T | 97.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.2 | -172.1 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | Y72 S106 L126 | Y72-T104 PolarHBondContact N-O 2.98Å; Y72-T104 PolarHBondContact O-N 2.72Å; T104-S106 PolarHBondContact O-N 3.28Å; T104-S106 PolarHBondContact O-OG 2.92Å; T104-L126 HydrophobicContact CG2-CD1 3.79Å |
| 105 | P | 98.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 122.1 | 176.8 | -17.6 | 31.6 | 0 | 0 | 0 | 110 | Y71 W103 Q120 | Y71-P105 HydrophobicContact CD1-CB 4.37Å; Y71-P105 HydrophobicContact CD1-CG 4.25Å; Y71-P105 HydrophobicContact CE1-CB 4.24Å; Y71-P105 HydrophobicContact CE1-CG 4.06Å; W103-P105 VanDerWaalsContact O-CD 3.27Å; W103-P105 WeakPolarHBondContact O-CD 3.3Å; P105-Q120 HydrophobicContact CB-CB 4.18Å; P105-Q120 WeakPolarHBondContact O-CB 3.44Å; P105-Q120 PolarHBondContact O-N 2.87Å |
| 106 | S | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 169.3 | -166.8 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | V70 Y72 T104 L118 L126 | V70-S106 PolarHBondContact N-O 3.4Å; V70-S106 CarbonylContact O-C 3.44Å; V70-S106 WeakPolarHBondContact O-CA 3.4Å; V70-S106 PolarHBondContact O-N 3.16Å; Y72-S106 WeakPolarHBondContact CB-OG 3.45Å; T104-S106 PolarHBondContact O-N 3.28Å; T104-S106 PolarHBondContact O-OG 2.92Å; S106-L118 CarbonylContact C-O 3.6Å; S106-L118 WeakPolarHBondContact CA-O 3.41Å; S106-L118 VanDerWaalsContact CB-O 3.28Å; S106-L118 WeakPolarHBondContact CB-O 3.31Å; S106-L126 VanDerWaalsContact OG-CD1 3.3Å; S106-L126 WeakPolarHBondContact OG-CD1 3.29Å |
| 107 | H | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.8 | 160.9 | 61.7 | -85.7 | 0 | 0 | 0 | 111.4 | K67 F68 L118 E123 | K67-H107 PolarHBondContact NZ-NE2 3.48Å; F68-H107 CarbonylContact O-C 3.45Å; F68-H107 WeakPolarHBondContact O-CA 3.01Å; F68-H107 WeakPolarHBondContact O-CB 3.38Å; H107-L118 WeakPolarHBondContact CE1-CB 3.33Å; H107-L118 PolarHBondContact N-O 2.95Å; H107-L118 WeakPolarHBondContact NE2-CB 3.45Å; H107-L118 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L118 PolarHBondContact O-N 3.32Å; H107-E123 IonicContact CE1-OE1 3.26Å; H107-E123 PolarHBondContact CE1-OE1 3.29Å; H107-E123 IonicContact CE1-OE2 2.96Å; H107-E123 PolarHBondContact CE1-OE2 3.15Å; H107-E123 VanDerWaalsContact CE1-OE2 3.29Å; H107-E123 IonicContact ND1-OE1 3.29Å; H107-E123 IonicContact NE2-OE1 2.95Å; H107-E123 IonicContact NE2-OE2 3.58Å; H107-E123 PolarHBondContact NE2-OE2 3.02Å |
| 108 | V | 98.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.1 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | K67 F68 V70 V110 T116 F162 L171 | K67-V108 WeakPolarHBondContact CA-O 3.37Å; F68-V108 PolarHBondContact N-O 3.2Å; F68-V108 PolarHBondContact O-N 3.06Å; V70-V108 HydrophobicContact CG2-CG2 3.76Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V108-T116 CarbonylContact C-O 3.54Å; V108-T116 WeakPolarHBondContact CA-O 3.5Å; V108-F162 HydrophobicContact CG2-CD1 3.86Å; V108-F162 HydrophobicContact CG2-CE1 3.53Å; V108-F162 HydrophobicContact CG2-CZ 4.2Å; V108-L171 HydrophobicContact CB-CD1 4Å; V108-L171 HydrophobicContact CG1-CD1 3.96Å; V108-L171 HydrophobicContact CG2-CD2 4.4Å |
| 109 | S | 98.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 112.8 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | V65 Q66 L115 T116 | V65-S109 WeakPolarHBondContact CG1-OG 3.15Å; Q66-S109 CarbonylContact O-C 3.59Å; Q66-S109 WeakPolarHBondContact O-CA 3.28Å; S109-L115 CarbonylContact O-C 3.44Å; S109-L115 WeakPolarHBondContact O-CA 3.43Å; S109-T116 PolarHBondContact N-O 3.45Å; S109-T116 PolarHBondContact O-N 2.98Å |
| 110 | V | 98 | Very high | 95.9 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.9 | -179.4 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | Q66 F68 V108 L115 L171 A174 V175 A178 | Q66-V110 PolarHBondContact N-O 3.43Å; Q66-V110 VanDerWaalsContact N-O 3.15Å; Q66-V110 PolarHBondContact O-N 3.09Å; F68-V110 HydrophobicContact CD2-CG2 3.89Å; F68-V110 HydrophobicContact CE2-CB 4.28Å; F68-V110 HydrophobicContact CE2-CG2 3.75Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V110-L115 HydrophobicContact CB-CD2 4.22Å; V110-L115 HydrophobicContact CG1-CD2 3.76Å; V110-L115 HydrophobicContact CG2-CD2 4.14Å; V110-L171 HydrophobicContact CG2-CD1 4.2Å; V110-A174 HydrophobicContact CG1-CB 4.44Å; V110-A174 HydrophobicContact CG2-CB 4.4Å; V110-V175 HydrophobicContact CG2-CG2 4.08Å; V110-A178 HydrophobicContact CG1-CB 3.83Å |
| 111 | A | 94.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | trans | -109 | 165.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V65 A113 T114 | V65-A111 HydrophobicContact CG2-CB 4.1Å; A111-A113 PolarHBondContact O-N 3.03Å; A111-T114 WeakPolarHBondContact CA-O 3.37Å; A111-T114 WeakPolarHBondContact CB-O 3.3Å; A111-T114 PolarHBondContact N-O 3.25Å; A111-T114 PolarHBondContact O-N 2.87Å | ||
| 112 | P | 88.4 | Confident | 96.3 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -59.1 | -21.8 | -172.1 | -28.2 | 36.3 | 0 | 0 | 0 | 116.5 | E63 | E63-P112 HydrophobicContact CB-CG 4.2Å; E63-P112 HydrophobicContact CG-CG 4.43Å |
| 113 | A | 92.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 31% | 0.306 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -129.4 | -7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A111 R130 V131 | A111-A113 PolarHBondContact O-N 3.03Å; A113-R130 WeakPolarHBondContact O-CA 3.43Å; A113-V131 PolarHBondContact O-N 2.95Å |
| 114 | T | 96.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 38 Ų | 38 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.9 | -170.6 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | A111 C129 R130 | A111-T114 WeakPolarHBondContact CA-O 3.37Å; A111-T114 WeakPolarHBondContact CB-O 3.3Å; A111-T114 PolarHBondContact N-O 3.25Å; A111-T114 PolarHBondContact O-N 2.87Å; T114-C129 CarbonylContact C-O 3.57Å; T114-C129 WeakPolarHBondContact CA-O 3.15Å; T114-R130 HydrophobicContact CG2-CG 4.27Å |
| 115 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.6 | 164.8 | -44.3 | 175.6 | 0 | 0 | 0 | 106.7 | S109 V110 C129 V131 L134 F148 V175 | S109-L115 CarbonylContact O-C 3.44Å; S109-L115 WeakPolarHBondContact O-CA 3.43Å; V110-L115 HydrophobicContact CB-CD2 4.22Å; V110-L115 HydrophobicContact CG1-CD2 3.76Å; V110-L115 HydrophobicContact CG2-CD2 4.14Å; L115-C129 HydrophobicContact CB-CB 4.16Å; L115-C129 PolarHBondContact N-O 3.32Å; L115-C129 PolarHBondContact O-N 2.82Å; L115-V131 HydrophobicContact CD2-CG2 4.23Å; L115-V131 HydrophobicContact CG-CG2 4.3Å; L115-L134 HydrophobicContact CD1-CD1 3.94Å; L115-F148 HydrophobicContact CD1-CD1 4.47Å; L115-F148 HydrophobicContact CD1-CE1 4.06Å; L115-F148 HydrophobicContact CD1-CZ 4.09Å; L115-V175 HydrophobicContact CD1-CG1 3.7Å; L115-V175 HydrophobicContact CD1-CG2 4.18Å; L115-V175 HydrophobicContact CD2-CG1 4.37Å; L115-V175 HydrophobicContact CD2-CG2 4.2Å |
| 116 | T | 98.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 15% | 0.153 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.5 | 177.2 | -48.7 | 0 | 0 | 0 | 0 | 108.5 | V108 S109 L118 V125 | V108-T116 CarbonylContact C-O 3.54Å; V108-T116 WeakPolarHBondContact CA-O 3.5Å; S109-T116 PolarHBondContact N-O 3.45Å; S109-T116 PolarHBondContact O-N 2.98Å; T116-L118 HydrophobicContact CG2-CD1 3.64Å; T116-L118 HydrophobicContact CG2-CD2 4.43Å; T116-L118 HydrophobicContact CG2-CG 3.91Å; T116-L118 WeakPolarHBondContact O-CD1 3.29Å; T116-V125 HydrophobicContact CG2-CG1 3.99Å; T116-V125 HydrophobicContact CG2-CG2 4.33Å |
| 117 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.3 | 176.5 | -48.9 | 163.5 | 0 | 0 | 0 | 106.2 | Y72 L126 G127 F162 | Y72-I117 HydrophobicContact CD1-CG2 4.28Å; Y72-I117 HydrophobicContact CD2-CD1 4.4Å; Y72-I117 HydrophobicContact CD2-CG2 4.18Å; Y72-I117 HydrophobicContact CE2-CD1 3.9Å; Y72-I117 HydrophobicContact CG-CG2 4.01Å; I117-L126 HydrophobicContact CB-CB 4.34Å; I117-L126 HydrophobicContact CG2-CB 4.09Å; I117-L126 HydrophobicContact CG2-CD1 4.31Å; I117-L126 PolarHBondContact O-N 2.79Å; I117-G127 PolarHBondContact N-O 2.78Å; I117-G127 PolarHBondContact O-N 3.15Å; I117-F162 HydrophobicContact CD1-CE1 3.92Å; I117-F162 HydrophobicContact CD1-CZ 3.59Å; I117-F162 HydrophobicContact CG1-CE1 3.95Å; I117-F162 HydrophobicContact CG1-CZ 3.92Å; I117-F162 HydrophobicContact CG2-CE1 4.03Å |
| 118 | L | 98.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142.6 | -175.8 | -60.3 | 101.4 | 0 | 0 | 0 | 110.3 | S106 H107 T116 A124 V125 | S106-L118 CarbonylContact C-O 3.6Å; S106-L118 WeakPolarHBondContact CA-O 3.41Å; S106-L118 VanDerWaalsContact CB-O 3.28Å; S106-L118 WeakPolarHBondContact CB-O 3.31Å; H107-L118 WeakPolarHBondContact CE1-CB 3.33Å; H107-L118 PolarHBondContact N-O 2.95Å; H107-L118 WeakPolarHBondContact NE2-CB 3.45Å; H107-L118 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L118 PolarHBondContact O-N 3.32Å; T116-L118 HydrophobicContact CG2-CD1 3.64Å; T116-L118 HydrophobicContact CG2-CD2 4.43Å; T116-L118 HydrophobicContact CG2-CG 3.91Å; T116-L118 WeakPolarHBondContact O-CD1 3.29Å; L118-A124 CarbonylContact C-O 3.55Å; L118-A124 VanDerWaalsContact CA-O 3.31Å; L118-A124 WeakPolarHBondContact CA-O 3.36Å; L118-V125 HydrophobicContact CD2-CG2 4.35Å |
| 119 | H | 97.9 | Very high | 96.3 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135 | 172 | -174.4 | -100.6 | 0 | 0 | 0 | 110.3 | Q121 T122 E123 A124 L126 | H119-Q121 PolarHBondContact ND1-N 3.42Å; H119-Q121 PolarHBondContact O-N 2.99Å; H119-T122 WeakPolarHBondContact CB-OG1 3.21Å; H119-T122 PolarHBondContact ND1-N 3.48Å; H119-T122 PolarHBondContact ND1-OG1 3.15Å; H119-E123 WeakPolarHBondContact O-CA 3.43Å; H119-E123 PolarHBondContact O-N 3.01Å; H119-A124 HydrophobicContact CB-CB 4.27Å; H119-A124 PolarHBondContact N-O 3Å; H119-L126 HydrophobicContact CB-CD1 4.19Å; H119-L126 HydrophobicContact CB-CD2 4.28Å; H119-L126 HydrophobicContact CB-CG 4.26Å |
| 120 | Q | 94.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -35.3 | -169.6 | -178.8 | 176.6 | -13.2 | 0 | 0 | 113.9 | P105 | P105-Q120 HydrophobicContact CB-CB 4.18Å; P105-Q120 WeakPolarHBondContact O-CB 3.44Å; P105-Q120 PolarHBondContact O-N 2.87Å |
| 121 | Q | 93.8 | Very high | 96.1 | Very high | 167 Ų | 167 | 52.9 Ų | 52.9 | 78% | 0.78 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -34.5 | -174.7 | -64.4 | 174.4 | -1.4 | 0 | 0 | 113.4 | H119 | H119-Q121 PolarHBondContact ND1-N 3.42Å; H119-Q121 PolarHBondContact O-N 2.99Å |
| 122 | T | 95.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -9.2 | -171.2 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | H119 A124 | H119-T122 WeakPolarHBondContact CB-OG1 3.21Å; H119-T122 PolarHBondContact ND1-N 3.48Å; H119-T122 PolarHBondContact ND1-OG1 3.15Å; T122-A124 PolarHBondContact O-N 2.92Å; T122-A124 WeakPolarHBondContact OG1-CB 3.08Å; T122-A124 PolarHBondContact OG1-N 3.43Å |
| 123 | E | 93.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | trans | 52.7 | 20.7 | -170.4 | -60.1 | -83.2 | 141 | 0 | 0 | 112.6 | K67 H107 H119 V125 | K67-E123 IonicContact NZ-OE1 3.78Å; K67-E123 IonicContact NZ-OE2 3.96Å; K67-E123 PolarHBondContact NZ-OE2 2.78Å; H107-E123 IonicContact CE1-OE1 3.26Å; H107-E123 PolarHBondContact CE1-OE1 3.29Å; H107-E123 IonicContact CE1-OE2 2.96Å; H107-E123 PolarHBondContact CE1-OE2 3.15Å; H107-E123 VanDerWaalsContact CE1-OE2 3.29Å; H107-E123 IonicContact ND1-OE1 3.29Å; H107-E123 IonicContact NE2-OE1 2.95Å; H107-E123 IonicContact NE2-OE2 3.58Å; H107-E123 PolarHBondContact NE2-OE2 3.02Å; H119-E123 WeakPolarHBondContact O-CA 3.43Å; H119-E123 PolarHBondContact O-N 3.01Å; E123-V125 PolarHBondContact O-N 2.9Å | ||
| 124 | A | 97 | Very high | 96.9 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | trans | -67.9 | 132.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L118 H119 T122 L126 | L118-A124 CarbonylContact C-O 3.55Å; L118-A124 VanDerWaalsContact CA-O 3.31Å; L118-A124 WeakPolarHBondContact CA-O 3.36Å; H119-A124 HydrophobicContact CB-CB 4.27Å; H119-A124 PolarHBondContact N-O 3Å; T122-A124 PolarHBondContact O-N 2.92Å; T122-A124 WeakPolarHBondContact OG1-CB 3.08Å; T122-A124 PolarHBondContact OG1-N 3.43Å; A124-L126 PolarHBondContact O-N 2.89Å | ||
| 125 | V | 97.6 | Very high | 96.9 | Very high | 91 Ų | 91 | 62.7 Ų | 62.7 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 111.5 | -179.9 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | T116 L118 E123 | T116-V125 HydrophobicContact CG2-CG1 3.99Å; T116-V125 HydrophobicContact CG2-CG2 4.33Å; L118-V125 HydrophobicContact CD2-CG2 4.35Å; E123-V125 PolarHBondContact O-N 2.9Å |
| 126 | L | 97.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -26 | 176.3 | -57.8 | 177.5 | 0 | 0 | 0 | 111.8 | Y72 T104 S106 I117 H119 A124 | Y72-L126 HydrophobicContact CD1-CB 4.45Å; Y72-L126 HydrophobicContact CD1-CD1 4.19Å; T104-L126 HydrophobicContact CG2-CD1 3.79Å; S106-L126 VanDerWaalsContact OG-CD1 3.3Å; S106-L126 WeakPolarHBondContact OG-CD1 3.29Å; I117-L126 HydrophobicContact CB-CB 4.34Å; I117-L126 HydrophobicContact CG2-CB 4.09Å; I117-L126 HydrophobicContact CG2-CD1 4.31Å; I117-L126 PolarHBondContact O-N 2.79Å; H119-L126 HydrophobicContact CB-CD1 4.19Å; H119-L126 HydrophobicContact CB-CD2 4.28Å; H119-L126 HydrophobicContact CB-CG 4.26Å; A124-L126 PolarHBondContact O-N 2.89Å |
| 127 | G | 97 | Very high | 97 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 149.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I117 | I117-G127 PolarHBondContact N-O 2.78Å; I117-G127 PolarHBondContact O-N 3.15Å |
| 128 | E | 97.3 | Very high | 97 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.6 | 174.3 | -171 | -172.7 | 130.9 | 0 | 0 | 109.7 | ||
| 129 | C | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 110.2 | -173 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | T114 L115 V131 F148 M150 | T114-C129 CarbonylContact C-O 3.57Å; T114-C129 WeakPolarHBondContact CA-O 3.15Å; L115-C129 HydrophobicContact CB-CB 4.16Å; L115-C129 PolarHBondContact N-O 3.32Å; L115-C129 PolarHBondContact O-N 2.82Å; C129-V131 PolarHBondContact O-N 3.09Å; C129-F148 HydrophobicContact CB-CE2 3.94Å; C129-F148 HydrophobicContact CB-CZ 4.16Å; C129-M150 HydrophobicContact CB-CE 3.67Å; C129-M150 HydrophobicContact CB-CG 4.25Å; C129-M150 HydrophobicContact CB-SD 3.77Å |
| 130 | R | 96.7 | Very high | 97 | Very high | 134 Ų | 134 | 66.6 Ų | 66.6 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.9 | 176.6 | -61 | -173.7 | 173.6 | 165.3 | -1.1 | 110.4 | A113 T114 R132 F133 M150 | A113-R130 WeakPolarHBondContact O-CA 3.43Å; T114-R130 HydrophobicContact CG2-CG 4.27Å; R130-R132 HydrophobicContact CB-CG 4.05Å; R130-R132 PolarHBondContact O-N 2.8Å; R130-F133 HydrophobicContact CB-CD2 3.86Å; R130-F133 HydrophobicContact CB-CE2 4.35Å; R130-F133 PolarHBondContact O-N 3.26Å; R130-M150 WeakPolarHBondContact O-CE 3.38Å |
| 131 | V | 96.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 72.1 Ų | 72.1 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -52.1 | -33.4 | -178.5 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | A113 L115 C129 F133 L134 A178 C179 R182 | A113-V131 PolarHBondContact O-N 2.95Å; L115-V131 HydrophobicContact CD2-CG2 4.23Å; L115-V131 HydrophobicContact CG-CG2 4.3Å; C129-V131 PolarHBondContact O-N 3.09Å; V131-F133 PolarHBondContact O-N 2.96Å; V131-F133 VanDerWaalsContact O-N 3.16Å; V131-L134 WeakPolarHBondContact O-CB 3.31Å; V131-L134 PolarHBondContact O-N 3.47Å; V131-A178 HydrophobicContact CG2-CB 4.45Å; V131-C179 HydrophobicContact CG1-CB 4.3Å; V131-R182 HydrophobicContact CB-CG 4.48Å; V131-R182 HydrophobicContact CG1-CB 3.8Å; V131-R182 HydrophobicContact CG1-CG 4.02Å |
| 132 | R | 95.3 | Very high | 97.3 | Very high | 167 Ų | 167 | 67.2 Ų | 67.2 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.6 | 177.9 | 69.9 | 176 | -66.6 | 173.3 | 0.2 | 115.3 | R130 | R130-R132 HydrophobicContact CB-CG 4.05Å; R130-R132 PolarHBondContact O-N 2.8Å |
| 133 | F | 96.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -110.4 | -0.1 | -179.8 | -59.4 | -53.2 | 0 | 0 | 0 | 111.9 | R130 V131 S135 M150 A151 | R130-F133 HydrophobicContact CB-CD2 3.86Å; R130-F133 HydrophobicContact CB-CE2 4.35Å; R130-F133 PolarHBondContact O-N 3.26Å; V131-F133 PolarHBondContact O-N 2.96Å; V131-F133 VanDerWaalsContact O-N 3.16Å; F133-S135 PolarHBondContact O-N 3.29Å; F133-M150 HydrophobicContact CB-CE 3.84Å; F133-M150 WeakPolarHBondContact O-CA 3.49Å; F133-A151 PolarHBondContact O-N 3.17Å |
| 134 | L | 98.1 | Very high | 97.6 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 114.9 | 170.5 | -170.3 | 157.9 | 0 | 0 | 0 | 107.7 | L115 V131 F136 L137 F148 I149 M150 V175 | L115-L134 HydrophobicContact CD1-CD1 3.94Å; V131-L134 WeakPolarHBondContact O-CB 3.31Å; V131-L134 PolarHBondContact O-N 3.47Å; L134-F136 WeakPolarHBondContact CD2-O 3.46Å; L134-L137 HydrophobicContact CD1-CD2 4.48Å; L134-L137 HydrophobicContact CD2-CB 4.23Å; L134-L137 HydrophobicContact CD2-CD2 3.93Å; L134-L137 HydrophobicContact CD2-CG 4.49Å; L134-F148 HydrophobicContact CD1-CB 3.91Å; L134-F148 HydrophobicContact CD1-CD2 4.06Å; L134-F148 HydrophobicContact CD1-CG 3.98Å; L134-F148 HydrophobicContact CG-CB 4.18Å; L134-F148 HydrophobicContact CG-CD2 4.38Å; L134-I149 WeakPolarHBondContact CA-O 3.4Å; L134-M150 HydrophobicContact CB-SD 3.82Å; L134-M150 HydrophobicContact CG-SD 4.24Å; L134-V175 HydrophobicContact CD1-CG1 3.77Å |
| 135 | S | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -28.3 | -178 | 56 | 0 | 0 | 0 | 0 | 112.7 | P81 F133 I149 | P81-S135 WeakPolarHBondContact O-CB 3.34Å; P81-S135 PolarHBondContact O-OG 3.07Å; F133-S135 PolarHBondContact O-N 3.29Å; S135-I149 PolarHBondContact N-O 3.32Å; S135-I149 WeakPolarHBondContact OG-CG2 3.08Å; S135-I149 PolarHBondContact OG-O 2.92Å |
| 136 | F | 98.6 | Very high | 97.7 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 151.4 | -179 | -164.9 | -120.1 | 0 | 0 | 0 | 111.4 | P81 V82 G83 V84 I87 L134 A138 F148 I149 | P81-F136 VanDerWaalsContact O-CB 3.29Å; P81-F136 WeakPolarHBondContact O-CB 3.47Å; V82-F136 HydrophobicContact CB-CB 4.28Å; V82-F136 HydrophobicContact CB-CD2 4.04Å; V82-F136 HydrophobicContact CB-CG 4.14Å; V82-F136 HydrophobicContact CG1-CB 4.08Å; V82-F136 HydrophobicContact CG1-CD2 4.16Å; V82-F136 HydrophobicContact CG1-CG 4.34Å; G83-F136 WeakPolarHBondContact O-CE1 3.09Å; V84-F136 HydrophobicContact CG2-CE1 4.15Å; V84-F136 HydrophobicContact CG2-CZ 3.73Å; I87-F136 HydrophobicContact CD1-CD1 3.41Å; I87-F136 VanDerWaalsContact CD1-CD1 3.41Å; I87-F136 HydrophobicContact CD1-CE1 3.65Å; I87-F136 HydrophobicContact CG1-CD1 4.1Å; I87-F136 HydrophobicContact CG1-CE1 4.33Å; L134-F136 WeakPolarHBondContact CD2-O 3.46Å; F136-A138 HydrophobicContact CE1-CB 4.09Å; F136-A138 HydrophobicContact CZ-CB 4.42Å; F136-F148 CarbonylContact O-C 3.59Å; F136-F148 WeakPolarHBondContact O-CA 3.48Å; F136-F148 VanDerWaalsContact O-CB 3.31Å; F136-F148 WeakPolarHBondContact O-CB 3.32Å; F136-I149 HydrophobicContact CB-CB 4.19Å; F136-I149 HydrophobicContact CB-CD1 4.18Å; F136-I149 HydrophobicContact CB-CG1 4.32Å; F136-I149 HydrophobicContact CD1-CD1 4.2Å; F136-I149 PolarHBondContact O-N 3.31Å |
| 137 | L | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.4 | 171 | 65.4 | 94.6 | 0 | 0 | 0 | 109.3 | L134 F146 A147 F148 V175 | L134-L137 HydrophobicContact CD1-CD2 4.48Å; L134-L137 HydrophobicContact CD2-CB 4.23Å; L134-L137 HydrophobicContact CD2-CD2 3.93Å; L134-L137 HydrophobicContact CD2-CG 4.49Å; L137-F146 HydrophobicContact CB-CE2 4.28Å; L137-F146 HydrophobicContact CB-CZ 4.23Å; L137-F146 HydrophobicContact CD1-CE2 4.17Å; L137-A147 WeakPolarHBondContact CA-O 3.27Å; L137-F148 HydrophobicContact CB-CB 3.81Å; L137-V175 HydrophobicContact CD2-CG1 3.97Å |
| 138 | A | 98.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 151.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I87 F136 F146 A147 | I87-A138 HydrophobicContact CD1-CB 3.76Å; F136-A138 HydrophobicContact CE1-CB 4.09Å; F136-A138 HydrophobicContact CZ-CB 4.42Å; A138-F146 VanDerWaalsContact O-CD2 3.31Å; A138-F146 WeakPolarHBondContact O-CD2 3.35Å; A138-A147 PolarHBondContact N-O 2.9Å; A138-A147 PolarHBondContact O-N 3.45Å |
| 139 | V | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 49 Ų | 49 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.4 | 156.5 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | T145 F146 A168 | V139-T145 WeakPolarHBondContact CA-O 3.49Å; V139-T145 WeakPolarHBondContact CG1-O 3.42Å; V139-F146 HydrophobicContact CG2-CD2 4.37Å; V139-A168 HydrophobicContact CG1-CB 4.1Å; V139-A168 HydrophobicContact CG2-CB 3.94Å |
| 140 | G | 97.8 | Very high | 98 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | trans | -72.1 | -174 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N88 D142 T145 | N88-G140 VanDerWaalsContact OD1-CA 3.3Å; N88-G140 WeakPolarHBondContact OD1-CA 3.47Å; G140-D142 PolarHBondContact O-N 2.86Å; G140-T145 VanDerWaalsContact CA-OG1 3.27Å; G140-T145 WeakPolarHBondContact CA-OG1 3.34Å; G140-T145 PolarHBondContact N-O 2.66Å; G140-T145 PolarHBondContact N-OG1 3.2Å | ||
| 141 | R | 97.7 | Very high | 98 | Very high | 191 Ų | 191 | 44.7 Ų | 44.7 | 72% | 0.721 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -59.4 | -36.5 | 173.6 | -73.4 | 171.5 | 179.8 | 168.9 | -2.7 | 111.8 | N88 E92 | N88-R141 PolarHBondContact OD1-N 3.05Å; E92-R141 IonicContact OE1-CZ 3.63Å; E92-R141 IonicContact OE1-NE 2.69Å; E92-R141 IonicContact OE1-NH1 3.84Å; E92-R141 PolarHBondContact OE1-NH1 2.77Å; E92-R141 IonicContact OE2-NH1 3.71Å |
| 142 | D | 97.5 | Very high | 97.8 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.342 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -84.8 | 127.8 | 169.2 | -171.3 | -30.8 | 0 | 0 | 0 | 109.5 | G140 H144 T145 | G140-D142 PolarHBondContact O-N 2.86Å; D142-H144 PolarHBondContact O-N 2.94Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 IonicContact OD1-CE1 3.83Å; D142-H144 IonicContact OD1-CG 3.85Å; D142-H144 PolarHBondContact OD1-N 3Å; D142-H144 IonicContact OD1-ND1 3.9Å; D142-H144 PolarHBondContact OD1-ND1 3.05Å; D142-H144 IonicContact OD2-ND1 2.64Å; D142-T145 HydrophobicContact CB-CG2 3.97Å; D142-T145 PolarHBondContact O-N 3.31Å; D142-T145 PolarHBondContact O-OG1 2.99Å |
| 143 | V | 98.3 | Very high | 97.5 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 53% | 0.527 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.7 | -178.9 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | N167 A168 | V143-N167 HydrophobicContact CB-CB 4.36Å; V143-N167 HydrophobicContact CG2-CB 4.31Å; V143-N167 WeakPolarHBondContact O-CB 3.4Å; V143-A168 WeakPolarHBondContact O-CB 3.19Å; V143-A168 PolarHBondContact O-N 2.87Å |
| 144 | H | 98.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 22% | 0.222 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.5 | 176.1 | -52.1 | 88.7 | 0 | 0 | 0 | 112.2 | D142 W163 C164 E165 P166 | D142-H144 PolarHBondContact O-N 2.94Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 IonicContact OD1-CE1 3.83Å; D142-H144 IonicContact OD1-CG 3.85Å; D142-H144 PolarHBondContact OD1-N 3Å; D142-H144 IonicContact OD1-ND1 3.9Å; D142-H144 PolarHBondContact OD1-ND1 3.05Å; D142-H144 IonicContact OD2-ND1 2.64Å; H144-W163 HydrophobicContact CB-CD2 3.9Å; H144-W163 HydrophobicContact CB-CE3 4.18Å; H144-W163 HydrophobicContact CB-CH2 3.79Å; H144-W163 HydrophobicContact CB-CZ2 3.49Å; H144-W163 VanDerWaalsContact CB-CZ2 3.49Å; H144-W163 HydrophobicContact CB-CZ3 4.14Å; H144-W163 AromaticContact CG-CZ2 3.66Å; H144-C164 WeakPolarHBondContact CB-O 3.28Å; H144-C164 PolarHBondContact O-N 3.13Å; H144-E165 IonicContact CD2-OE2 3.53Å; H144-P166 PolarHBondContact CD2-O 2.81Å; H144-P166 PolarHBondContact NE2-O 3.18Å; H144-P166 VanDerWaalsContact NE2-O 3.12Å |
| 145 | T | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.4 | -175.3 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | L91 L95 V139 G140 D142 W163 | L91-T145 HydrophobicContact CD2-CG2 4.39Å; L95-T145 HydrophobicContact CD1-CG2 3.94Å; V139-T145 WeakPolarHBondContact CA-O 3.49Å; V139-T145 WeakPolarHBondContact CG1-O 3.42Å; G140-T145 VanDerWaalsContact CA-OG1 3.27Å; G140-T145 WeakPolarHBondContact CA-OG1 3.34Å; G140-T145 PolarHBondContact N-O 2.66Å; G140-T145 PolarHBondContact N-OG1 3.2Å; D142-T145 HydrophobicContact CB-CG2 3.97Å; D142-T145 PolarHBondContact O-N 3.31Å; D142-T145 PolarHBondContact O-OG1 2.99Å; T145-W163 HydrophobicContact CG2-CE3 3.83Å; T145-W163 HydrophobicContact CG2-CZ3 3.86Å |
| 146 | F | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.7 | 174.8 | 179.6 | -116.6 | 0 | 0 | 0 | 109.7 | L137 A138 V139 F148 F162 A168 L171 S172 V175 | L137-F146 HydrophobicContact CB-CE2 4.28Å; L137-F146 HydrophobicContact CB-CZ 4.23Å; L137-F146 HydrophobicContact CD1-CE2 4.17Å; A138-F146 VanDerWaalsContact O-CD2 3.31Å; A138-F146 WeakPolarHBondContact O-CD2 3.35Å; V139-F146 HydrophobicContact CG2-CD2 4.37Å; F146-F148 AromaticContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CZ-CD1 4.38Å; F146-F162 AromaticContact CD1-CD2 3.99Å; F146-F162 HydrophobicContact CD1-CD2 3.99Å; F146-F162 PolarHBondContact N-O 3.47Å; F146-F162 PolarHBondContact O-N 2.84Å; F146-A168 HydrophobicContact CB-CB 3.79Å; F146-L171 HydrophobicContact CD1-CD2 3.58Å; F146-L171 HydrophobicContact CD1-CG 3.87Å; F146-L171 HydrophobicContact CE1-CD2 4.08Å; F146-L171 HydrophobicContact CE1-CG 3.96Å; F146-L171 HydrophobicContact CG-CD2 4.4Å; F146-S172 VanDerWaalsContact CE2-CB 3.5Å; F146-V175 HydrophobicContact CE1-CG2 4.15Å; F146-V175 HydrophobicContact CZ-CB 4.17Å; F146-V175 HydrophobicContact CZ-CG1 4.43Å; F146-V175 HydrophobicContact CZ-CG2 4.22Å |
| 147 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I87 L91 L137 A138 H160 M161 | I87-A147 HydrophobicContact CD1-CB 4.23Å; I87-A147 HydrophobicContact CG1-CB 4.23Å; I87-A147 HydrophobicContact CG2-CB 3.68Å; L91-A147 HydrophobicContact CD1-CB 4.35Å; L91-A147 HydrophobicContact CG-CB 4.48Å; L137-A147 WeakPolarHBondContact CA-O 3.27Å; A138-A147 PolarHBondContact N-O 2.9Å; A138-A147 PolarHBondContact O-N 3.45Å; A147-H160 WeakPolarHBondContact CA-O 3.48Å; A147-H160 VanDerWaalsContact CB-O 3.29Å; A147-H160 WeakPolarHBondContact CB-O 3.37Å; A147-M161 HydrophobicContact CB-CG 3.93Å |
| 148 | F | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.1 | 168.7 | 61.3 | -99.9 | 0 | 0 | 0 | 111.1 | L115 C129 L134 F136 L137 F146 M150 C159 H160 F162 | L115-F148 HydrophobicContact CD1-CD1 4.47Å; L115-F148 HydrophobicContact CD1-CE1 4.06Å; L115-F148 HydrophobicContact CD1-CZ 4.09Å; C129-F148 HydrophobicContact CB-CE2 3.94Å; C129-F148 HydrophobicContact CB-CZ 4.16Å; L134-F148 HydrophobicContact CD1-CB 3.91Å; L134-F148 HydrophobicContact CD1-CD2 4.06Å; L134-F148 HydrophobicContact CD1-CG 3.98Å; L134-F148 HydrophobicContact CG-CB 4.18Å; L134-F148 HydrophobicContact CG-CD2 4.38Å; F136-F148 CarbonylContact O-C 3.59Å; F136-F148 WeakPolarHBondContact O-CA 3.48Å; F136-F148 VanDerWaalsContact O-CB 3.31Å; F136-F148 WeakPolarHBondContact O-CB 3.32Å; L137-F148 HydrophobicContact CB-CB 3.81Å; F146-F148 AromaticContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CE1-CD1 3.88Å; F146-F148 HydrophobicContact CZ-CD1 4.38Å; F148-M150 HydrophobicContact CD2-CG 3.76Å; F148-M150 HydrophobicContact CD2-SD 3.79Å; F148-M150 HydrophobicContact CE2-CG 3.59Å; F148-M150 HydrophobicContact CE2-SD 3.74Å; F148-C159 CarbonylContact O-C 3.57Å; F148-C159 WeakPolarHBondContact O-CA 3.4Å; F148-H160 HydrophobicContact CD2-CB 4.25Å; F148-H160 HydrophobicContact CE1-CB 4.19Å; F148-H160 HydrophobicContact CE2-CB 3.74Å; F148-H160 AromaticContact CE2-CD2 3.8Å; F148-H160 AromaticContact CE2-CG 3.85Å; F148-H160 HydrophobicContact CZ-CB 3.71Å; F148-H160 PolarHBondContact N-O 2.94Å; F148-H160 PolarHBondContact O-N 2.83Å; F148-F162 AromaticContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CE1-CD2 4.36Å; F148-F162 AromaticContact CE1-CE2 3.28Å; F148-F162 HydrophobicContact CE1-CE2 3.28Å; F148-F162 AromaticContact CE1-CZ 3.65Å; F148-F162 HydrophobicContact CE1-CZ 3.65Å; F148-F162 AromaticContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CZ 4.03Å |
| 149 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.1 | 179 | -56.3 | 177.6 | 0 | 0 | 0 | 108.6 | V78 V86 I87 L134 S135 F136 F157 C158 C159 | V78-I149 HydrophobicContact CG2-CD1 4.18Å; V78-I149 HydrophobicContact CG2-CG1 4.34Å; V78-I149 HydrophobicContact CG2-CG2 3.8Å; V86-I149 HydrophobicContact CB-CD1 4.47Å; V86-I149 HydrophobicContact CG1-CD1 4.03Å; I87-I149 HydrophobicContact CD1-CG1 4.39Å; I87-I149 HydrophobicContact CG1-CD1 4.09Å; I87-I149 HydrophobicContact CG1-CG1 4.09Å; L134-I149 WeakPolarHBondContact CA-O 3.4Å; S135-I149 PolarHBondContact N-O 3.32Å; S135-I149 WeakPolarHBondContact OG-CG2 3.08Å; S135-I149 PolarHBondContact OG-O 2.92Å; F136-I149 HydrophobicContact CB-CB 4.19Å; F136-I149 HydrophobicContact CB-CD1 4.18Å; F136-I149 HydrophobicContact CB-CG1 4.32Å; F136-I149 HydrophobicContact CD1-CD1 4.2Å; F136-I149 PolarHBondContact O-N 3.31Å; I149-F157 HydrophobicContact CG2-CB 3.82Å; I149-C158 CarbonylContact C-O 3.47Å; I149-C158 WeakPolarHBondContact CA-O 3.34Å; I149-C159 HydrophobicContact CG1-CB 4.29Å |
| 150 | M | 98.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.6 | 174.7 | -65 | -60.6 | -63.6 | 0 | 0 | 109.8 | C129 R130 F133 L134 F148 A152 F157 C158 | C129-M150 HydrophobicContact CB-CE 3.67Å; C129-M150 HydrophobicContact CB-CG 4.25Å; C129-M150 HydrophobicContact CB-SD 3.77Å; R130-M150 WeakPolarHBondContact O-CE 3.38Å; F133-M150 HydrophobicContact CB-CE 3.84Å; F133-M150 WeakPolarHBondContact O-CA 3.49Å; L134-M150 HydrophobicContact CB-SD 3.82Å; L134-M150 HydrophobicContact CG-SD 4.24Å; F148-M150 HydrophobicContact CD2-CG 3.76Å; F148-M150 HydrophobicContact CD2-SD 3.79Å; F148-M150 HydrophobicContact CE2-CG 3.59Å; F148-M150 HydrophobicContact CE2-SD 3.74Å; M150-A152 PolarHBondContact O-N 2.96Å; M150-F157 CarbonylContact O-C 3.59Å; M150-F157 VanDerWaalsContact O-CA 3.28Å; M150-F157 WeakPolarHBondContact O-CA 3.27Å; M150-C158 PolarHBondContact N-O 3.46Å; M150-C158 PolarHBondContact O-N 2.91Å |
| 151 | A | 97.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 103.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F133 F157 | F133-A151 PolarHBondContact O-N 3.17Å; A151-F157 HydrophobicContact CB-CD1 4.13Å; A151-F157 HydrophobicContact CB-CE1 4.18Å |
| 152 | A | 91.6 | Very high | 96.9 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 65% | 0.645 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -20.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M150 S156 | M150-A152 PolarHBondContact O-N 2.96Å; A152-S156 PolarHBondContact N-O 3.06Å |
| 153 | G | 90.4 | Very high | 97 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | -177.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A155 S156 | G153-A155 PolarHBondContact O-N 3.42Å; G153-S156 PolarHBondContact N-O 3.11Å; G153-S156 VanDerWaalsContact N-O 3.14Å; G153-S156 PolarHBondContact O-N 2.96Å |
| 154 | P | 88.5 | Confident | 97 | Very high | 145 Ų | 145 | 28.8 Ų | 28.8 | 94% | 0.942 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.2 | -174.1 | -28.4 | 35.7 | 0 | 0 | 0 | 115.5 | ||
| 155 | A | 92.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 30.8 Ų | 30.8 | 74% | 0.744 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 27.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G153 | G153-A155 PolarHBondContact O-N 3.42Š|
| 156 | S | 97.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.7 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | A152 G153 | A152-S156 PolarHBondContact N-O 3.06Å; G153-S156 PolarHBondContact N-O 3.11Å; G153-S156 VanDerWaalsContact N-O 3.14Å; G153-S156 PolarHBondContact O-N 2.96Å |
| 157 | F | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.2 | -176.7 | -47.8 | -72 | 0 | 0 | 0 | 110.5 | P77 V78 P81 I149 M150 A151 | P77-F157 WeakPolarHBondContact CA-O 3.41Å; V78-F157 HydrophobicContact CG2-CB 3.65Å; V78-F157 PolarHBondContact N-O 2.82Å; V78-F157 WeakPolarHBondContact O-CB 3.31Å; P81-F157 HydrophobicContact CB-CD1 3.82Å; P81-F157 HydrophobicContact CB-CE1 3.56Å; P81-F157 HydrophobicContact CB-CE2 4.36Å; P81-F157 HydrophobicContact CB-CG 4.36Å; P81-F157 HydrophobicContact CB-CZ 3.85Å; P81-F157 HydrophobicContact CG-CE1 4.29Å; P81-F157 HydrophobicContact CG-CE2 4.44Å; P81-F157 HydrophobicContact CG-CZ 4.07Å; I149-F157 HydrophobicContact CG2-CB 3.82Å; M150-F157 CarbonylContact O-C 3.59Å; M150-F157 VanDerWaalsContact O-CA 3.28Å; M150-F157 WeakPolarHBondContact O-CA 3.27Å; A151-F157 HydrophobicContact CB-CD1 4.13Å; A151-F157 HydrophobicContact CB-CE1 4.18Å |
| 158 | C | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.3 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | N75 V76 I149 M150 | N75-C158 VanDerWaalsContact CB-SG 3.58Å; N75-C158 PolarHBondContact OD1-SG 2.86Å; V76-C158 WeakPolarHBondContact O-CA 3.43Å; I149-C158 CarbonylContact C-O 3.47Å; I149-C158 WeakPolarHBondContact CA-O 3.34Å; M150-C158 PolarHBondContact N-O 3.46Å; M150-C158 PolarHBondContact O-N 2.91Å |
| 159 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.1 | 178.2 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | N75 V76 V78 A90 F148 I149 | N75-C159 CarbonylContact C-O 3.54Å; N75-C159 WeakPolarHBondContact CA-O 3.47Å; N75-C159 VanDerWaalsContact CB-O 3.3Å; N75-C159 WeakPolarHBondContact CB-O 3.48Å; V76-C159 HydrophobicContact CG2-CB 4.32Å; V76-C159 PolarHBondContact N-O 3.26Å; V76-C159 PolarHBondContact O-N 3.34Å; V78-C159 HydrophobicContact CG1-CB 3.59Å; V78-C159 HydrophobicContact CG2-CB 4.28Å; A90-C159 HydrophobicContact CB-CB 4.44Å; F148-C159 CarbonylContact O-C 3.57Å; F148-C159 WeakPolarHBondContact O-CA 3.4Å; I149-C159 HydrophobicContact CG1-CB 4.29Å |
| 160 | H | 98.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.7 | 172.4 | -68.1 | -103.1 | 0 | 0 | 0 | 109.4 | Y72 A147 F148 F162 | Y72-H160 HydrophobicContact CE2-CB 4.33Å; Y72-H160 AromaticContact CZ-ND1 3.88Å; Y72-H160 PolarHBondContact OH-ND1 3.21Å; A147-H160 WeakPolarHBondContact CA-O 3.48Å; A147-H160 VanDerWaalsContact CB-O 3.29Å; A147-H160 WeakPolarHBondContact CB-O 3.37Å; F148-H160 HydrophobicContact CD2-CB 4.25Å; F148-H160 HydrophobicContact CE1-CB 4.19Å; F148-H160 HydrophobicContact CE2-CB 3.74Å; F148-H160 AromaticContact CE2-CD2 3.8Å; F148-H160 AromaticContact CE2-CG 3.85Å; F148-H160 HydrophobicContact CZ-CB 3.71Å; F148-H160 PolarHBondContact N-O 2.94Å; F148-H160 PolarHBondContact O-N 2.83Å; H160-F162 HydrophobicContact CB-CE2 3.82Å; H160-F162 HydrophobicContact CB-CZ 4.05Å |
| 161 | M | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.2 | -170.1 | -65.4 | 167.2 | -68.6 | 0 | 0 | 111.6 | Y72 L73 G74 V76 A90 L91 V94 A147 | Y72-M161 VanDerWaalsContact CD2-O 3.32Å; Y72-M161 WeakPolarHBondContact CD2-O 3.31Å; L73-M161 HydrophobicContact CB-CB 3.98Å; L73-M161 WeakPolarHBondContact CB-O 3.27Å; L73-M161 HydrophobicContact CD1-CB 4.22Å; L73-M161 PolarHBondContact N-O 2.95Å; G74-M161 PolarHBondContact O-N 3.2Å; G74-M161 VanDerWaalsContact O-N 3.11Å; V76-M161 HydrophobicContact CB-CE 4.39Å; V76-M161 HydrophobicContact CG1-CE 3.95Å; V76-M161 HydrophobicContact CG2-CE 3.77Å; V76-M161 HydrophobicContact CG2-SD 4.48Å; A90-M161 HydrophobicContact CB-SD 3.73Å; L91-M161 HydrophobicContact CD2-CB 3.77Å; L91-M161 HydrophobicContact CD2-CG 3.74Å; L91-M161 HydrophobicContact CD2-SD 4.06Å; L91-M161 HydrophobicContact CG-CG 4.17Å; L91-M161 HydrophobicContact CG-SD 4.23Å; V94-M161 HydrophobicContact CB-CE 4.23Å; V94-M161 HydrophobicContact CB-SD 4.47Å; V94-M161 HydrophobicContact CG1-CE 4.08Å; V94-M161 HydrophobicContact CG1-SD 3.8Å; A147-M161 HydrophobicContact CB-CG 3.93Å |
| 162 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.4 | -173 | -52.1 | -92.7 | 0 | 0 | 0 | 110.9 | V70 Y71 Y72 V108 I117 F146 F148 H160 | V70-F162 HydrophobicContact CG2-CD1 3.86Å; Y71-F162 CarbonylContact O-C 3.58Å; Y71-F162 VanDerWaalsContact O-CA 3.31Å; Y71-F162 WeakPolarHBondContact O-CA 3.31Å; Y72-F162 AromaticContact CD2-CD1 3.73Å; Y72-F162 HydrophobicContact CD2-CD1 3.73Å; Y72-F162 AromaticContact CD2-CE1 3.38Å; Y72-F162 HydrophobicContact CD2-CE1 3.38Å; Y72-F162 AromaticContact CD2-CZ 3.94Å; Y72-F162 HydrophobicContact CD2-CZ 3.94Å; Y72-F162 AromaticContact CE2-CE1 3.88Å; Y72-F162 HydrophobicContact CE2-CE1 3.88Å; Y72-F162 AromaticContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CE2-CZ 3.95Å; Y72-F162 HydrophobicContact CG-CE1 4.34Å; V108-F162 HydrophobicContact CG2-CD1 3.86Å; V108-F162 HydrophobicContact CG2-CE1 3.53Å; V108-F162 HydrophobicContact CG2-CZ 4.2Å; I117-F162 HydrophobicContact CD1-CE1 3.92Å; I117-F162 HydrophobicContact CD1-CZ 3.59Å; I117-F162 HydrophobicContact CG1-CE1 3.95Å; I117-F162 HydrophobicContact CG1-CZ 3.92Å; I117-F162 HydrophobicContact CG2-CE1 4.03Å; F146-F162 AromaticContact CD1-CD2 3.99Å; F146-F162 HydrophobicContact CD1-CD2 3.99Å; F146-F162 PolarHBondContact N-O 3.47Å; F146-F162 PolarHBondContact O-N 2.84Å; F148-F162 AromaticContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CD1-CE2 3.83Å; F148-F162 HydrophobicContact CE1-CD2 4.36Å; F148-F162 AromaticContact CE1-CE2 3.28Å; F148-F162 HydrophobicContact CE1-CE2 3.28Å; F148-F162 AromaticContact CE1-CZ 3.65Å; F148-F162 HydrophobicContact CE1-CZ 3.65Å; F148-F162 AromaticContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CE2 3.98Å; F148-F162 HydrophobicContact CZ-CZ 4.03Å; H160-F162 HydrophobicContact CB-CE2 3.82Å; H160-F162 HydrophobicContact CB-CZ 4.05Å |
| 163 | W | 98.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.5 | 165.2 | -176.1 | -80 | 0 | 0 | 0 | 109.8 | V70 Y71 L73 L95 W103 H144 T145 E165 | V70-W163 WeakPolarHBondContact CA-O 3.38Å; V70-W163 WeakPolarHBondContact CB-O 3.42Å; Y71-W163 PolarHBondContact N-O 3.14Å; Y71-W163 PolarHBondContact O-N 3.22Å; L73-W163 HydrophobicContact CD2-CB 4.13Å; L95-W163 HydrophobicContact CD2-CE3 4.31Å; L95-W163 HydrophobicContact CD2-CZ3 4.45Å; W103-W163 HydrophobicContact CE3-CB 3.97Å; W103-W163 HydrophobicContact CE3-CD2 4.46Å; W103-W163 HydrophobicContact CE3-CG 4.06Å; W103-W163 AromaticContact CH2-CD2 3.78Å; W103-W163 HydrophobicContact CH2-CD2 3.78Å; W103-W163 AromaticContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CE3 3.58Å; W103-W163 HydrophobicContact CH2-CG 4.23Å; W103-W163 HydrophobicContact CH2-CZ3 4.06Å; W103-W163 HydrophobicContact CZ3-CB 3.78Å; W103-W163 AromaticContact CZ3-CD1 3.98Å; W103-W163 AromaticContact CZ3-CD2 3.43Å; W103-W163 HydrophobicContact CZ3-CD2 3.43Å; W103-W163 VanDerWaalsContact CZ3-CD2 3.43Å; W103-W163 AromaticContact CZ3-CE3 3.74Å; W103-W163 HydrophobicContact CZ3-CE3 3.74Å; W103-W163 AromaticContact CZ3-CG 3.44Å; W103-W163 HydrophobicContact CZ3-CG 3.44Å; W103-W163 VanDerWaalsContact CZ3-CG 3.44Å; H144-W163 HydrophobicContact CB-CD2 3.9Å; H144-W163 HydrophobicContact CB-CE3 4.18Å; H144-W163 HydrophobicContact CB-CH2 3.79Å; H144-W163 HydrophobicContact CB-CZ2 3.49Å; H144-W163 VanDerWaalsContact CB-CZ2 3.49Å; H144-W163 HydrophobicContact CB-CZ3 4.14Å; H144-W163 AromaticContact CG-CZ2 3.66Å; T145-W163 HydrophobicContact CG2-CE3 3.83Å; T145-W163 HydrophobicContact CG2-CZ3 3.86Å; W163-E165 PolarHBondContact NE1-OE1 3.48Å |
| 164 | C | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | trans | -120.3 | 138.5 | -173.1 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | V70 H144 N167 A168 | V70-C164 HydrophobicContact CG1-CB 4.29Å; V70-C164 VanDerWaalsContact CG1-SG 3.6Å; H144-C164 WeakPolarHBondContact CB-O 3.28Å; H144-C164 PolarHBondContact O-N 3.13Å; C164-N167 VanDerWaalsContact CB-O 3.26Å; C164-N167 WeakPolarHBondContact CB-O 3.42Å; C164-A168 HydrophobicContact CB-CB 4.21Å | ||
| 165 | E | 96.8 | Very high | 97.9 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -118.2 | 135.4 | 175.4 | -68.6 | -69.5 | 176.2 | 0 | 0 | 109.5 | R100 H144 W163 N167 | R100-E165 IonicContact CZ-OE1 3.95Å; R100-E165 IonicContact NH1-OE1 3.49Å; R100-E165 IonicContact NH2-OE1 2.71Å; R100-E165 PolarHBondContact NH2-OE1 3.2Å; H144-E165 IonicContact CD2-OE2 3.53Å; W163-E165 PolarHBondContact NE1-OE1 3.48Å; E165-N167 VanDerWaalsContact C-N 3.33Å |
| 166 | P | 97.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 37 Ų | 37 | 66% | 0.656 | 21% | 0.209 | S | C | * | . | S | Bend | cis | -79.3 | -8.1 | -2.1 | 33.8 | -37 | 0 | 0 | 0 | 114 | H144 | H144-P166 PolarHBondContact CD2-O 2.81Å; H144-P166 PolarHBondContact NE2-O 3.18Å; H144-P166 VanDerWaalsContact NE2-O 3.12Å |
| 167 | N | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | trans | -167.2 | 176.4 | 172.5 | 57.1 | 62.5 | 0 | 0 | 0 | 109.6 | V143 C164 E165 A169 | V143-N167 HydrophobicContact CB-CB 4.36Å; V143-N167 HydrophobicContact CG2-CB 4.31Å; V143-N167 WeakPolarHBondContact O-CB 3.4Å; C164-N167 VanDerWaalsContact CB-O 3.26Å; C164-N167 WeakPolarHBondContact CB-O 3.42Å; E165-N167 VanDerWaalsContact C-N 3.33Å; N167-A169 PolarHBondContact O-N 3.38Å; N167-A169 WeakPolarHBondContact OD1-CB 3.33Å; N167-A169 PolarHBondContact OD1-N 3.33Å | ||
| 168 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.6 | -0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V139 V143 F146 C164 S170 L171 S172 | V139-A168 HydrophobicContact CG1-CB 4.1Å; V139-A168 HydrophobicContact CG2-CB 3.94Å; V143-A168 WeakPolarHBondContact O-CB 3.19Å; V143-A168 PolarHBondContact O-N 2.87Å; F146-A168 HydrophobicContact CB-CB 3.79Å; C164-A168 HydrophobicContact CB-CB 4.21Å; A168-S170 PolarHBondContact O-N 3.35Å; A168-L171 PolarHBondContact O-N 3.14Å; A168-S172 VanDerWaalsContact O-CB 3.29Å; A168-S172 WeakPolarHBondContact O-CB 3.27Å; A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.98Å; A168-S172 VanDerWaalsContact O-OG 3.08Å |
| 169 | A | 98 | Very high | 97.8 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.8 | -54.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | N167 L171 S172 E173 | N167-A169 PolarHBondContact O-N 3.38Å; N167-A169 WeakPolarHBondContact OD1-CB 3.33Å; N167-A169 PolarHBondContact OD1-N 3.33Å; A169-L171 PolarHBondContact O-N 2.94Å; A169-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.38Å; A169-E173 WeakPolarHBondContact O-CB 3.31Å; A169-E173 WeakPolarHBondContact O-CG 3.46Å; A169-E173 PolarHBondContact O-N 2.89Å |
| 170 | S | 98.1 | Very high | 97.6 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -43.3 | -176.2 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | A168 A174 | A168-S170 PolarHBondContact O-N 3.35Å; S170-A174 WeakPolarHBondContact O-CB 3.37Å; S170-A174 PolarHBondContact O-N 2.73Å; S170-A174 VanDerWaalsContact O-N 3.09Å |
| 171 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 177.3 | 176.8 | 59.7 | 0 | 0 | 0 | 111.2 | F68 V70 V108 V110 F146 A168 A169 E173 A174 V175 | F68-L171 HydrophobicContact CB-CD1 4.07Å; F68-L171 HydrophobicContact CD1-CB 4.41Å; F68-L171 HydrophobicContact CD2-CD1 3.76Å; F68-L171 HydrophobicContact CE2-CD1 4.43Å; F68-L171 HydrophobicContact CG-CB 4.37Å; F68-L171 HydrophobicContact CG-CD1 3.92Å; V70-L171 HydrophobicContact CG1-CD2 3.85Å; V108-L171 HydrophobicContact CB-CD1 4Å; V108-L171 HydrophobicContact CG1-CD1 3.96Å; V108-L171 HydrophobicContact CG2-CD2 4.4Å; V110-L171 HydrophobicContact CG2-CD1 4.2Å; F146-L171 HydrophobicContact CD1-CD2 3.58Å; F146-L171 HydrophobicContact CD1-CG 3.87Å; F146-L171 HydrophobicContact CE1-CD2 4.08Å; F146-L171 HydrophobicContact CE1-CG 3.96Å; F146-L171 HydrophobicContact CG-CD2 4.4Å; A168-L171 PolarHBondContact O-N 3.14Å; A169-L171 PolarHBondContact O-N 2.94Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 3.44Å; L171-A174 PolarHBondContact O-N 3.3Å; L171-V175 HydrophobicContact CD1-CG2 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.48Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 2.65Å |
| 172 | S | 98.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | -178.8 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | F146 A168 A169 V175 Q176 | F146-S172 VanDerWaalsContact CE2-CB 3.5Å; A168-S172 VanDerWaalsContact O-CB 3.29Å; A168-S172 WeakPolarHBondContact O-CB 3.27Å; A168-S172 PolarHBondContact O-N 3.09Å; A168-S172 PolarHBondContact O-OG 2.98Å; A168-S172 VanDerWaalsContact O-OG 3.08Å; A169-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.38Å; S172-V175 PolarHBondContact O-N 2.99Å; S172-Q176 VanDerWaalsContact O-CB 3.27Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 2.95Å |
| 173 | E | 98.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 55.8 Ų | 55.8 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 176.2 | -75 | 178.2 | 176.6 | 0 | 0 | 111.8 | A169 L171 Q176 A177 | A169-E173 WeakPolarHBondContact O-CB 3.31Å; A169-E173 WeakPolarHBondContact O-CG 3.46Å; A169-E173 PolarHBondContact O-N 2.89Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 3.44Å; E173-Q176 PolarHBondContact O-N 2.81Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.21Å |
| 174 | A | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 59 Ų | 59 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F68 V110 S170 L171 A177 A178 | F68-A174 HydrophobicContact CE1-CB 4.31Å; F68-A174 HydrophobicContact CE2-CB 3.52Å; F68-A174 HydrophobicContact CZ-CB 3.33Å; V110-A174 HydrophobicContact CG1-CB 4.44Å; V110-A174 HydrophobicContact CG2-CB 4.4Å; S170-A174 WeakPolarHBondContact O-CB 3.37Å; S170-A174 PolarHBondContact O-N 2.73Å; S170-A174 VanDerWaalsContact O-N 3.09Å; L171-A174 PolarHBondContact O-N 3.3Å; A174-A177 PolarHBondContact O-N 3.45Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 3.47Å |
| 175 | V | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 177 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | V110 L115 L134 L137 F146 L171 S172 A178 C179 | V110-V175 HydrophobicContact CG2-CG2 4.08Å; L115-V175 HydrophobicContact CD1-CG1 3.7Å; L115-V175 HydrophobicContact CD1-CG2 4.18Å; L115-V175 HydrophobicContact CD2-CG1 4.37Å; L115-V175 HydrophobicContact CD2-CG2 4.2Å; L134-V175 HydrophobicContact CD1-CG1 3.77Å; L137-V175 HydrophobicContact CD2-CG1 3.97Å; F146-V175 HydrophobicContact CE1-CG2 4.15Å; F146-V175 HydrophobicContact CZ-CB 4.17Å; F146-V175 HydrophobicContact CZ-CG1 4.43Å; F146-V175 HydrophobicContact CZ-CG2 4.22Å; L171-V175 HydrophobicContact CD1-CG2 3.97Å; L171-V175 HydrophobicContact CG-CG2 4.48Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 2.65Å; S172-V175 PolarHBondContact O-N 2.99Å; V175-A178 PolarHBondContact O-N 2.9Å; V175-C179 PolarHBondContact O-N 3.25Å; V175-C179 PolarHBondContact O-SG 2.99Å |
| 176 | Q | 97.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 174.9 | -176.8 | 179.3 | -37.5 | 0 | 0 | 111.2 | S172 E173 A178 C179 M180 | S172-Q176 VanDerWaalsContact O-CB 3.27Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 2.95Å; E173-Q176 PolarHBondContact O-N 2.81Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 2.92Å; Q176-C179 WeakPolarHBondContact O-CB 3.38Å; Q176-C179 PolarHBondContact O-N 3.24Å; Q176-M180 HydrophobicContact CG-CE 4.17Å; Q176-M180 HydrophobicContact CG-SD 4.43Å; Q176-M180 WeakPolarHBondContact O-CG 3.3Å; Q176-M180 PolarHBondContact O-N 3.29Å |
| 177 | A | 95.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 60 Ų | 60 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E173 A174 C179 M180 L181 | E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.21Å; A174-A177 PolarHBondContact O-N 3.45Å; A177-C179 VanDerWaalsContact C-N 3.34Å; A177-C179 PolarHBondContact O-N 3.44Å; A177-M180 HydrophobicContact CB-CE 4.45Å; A177-M180 PolarHBondContact O-N 3.09Å; A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.28Å; A177-L181 PolarHBondContact O-N 2.81Å |
| 178 | A | 95.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V110 V131 A174 V175 Q176 R182 | V110-A178 HydrophobicContact CG1-CB 3.83Å; V131-A178 HydrophobicContact CG2-CB 4.45Å; A174-A178 WeakPolarHBondContact O-CB 3.13Å; A174-A178 PolarHBondContact O-N 3.47Å; V175-A178 PolarHBondContact O-N 2.9Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 2.92Å; A178-R182 VanDerWaalsContact O-CB 3.26Å; A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 3.44Å |
| 179 | C | 95.8 | Very high | 93.6 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 112 | V131 V175 Q176 A177 R182 Y183 | V131-C179 HydrophobicContact CG1-CB 4.3Å; V175-C179 PolarHBondContact O-N 3.25Å; V175-C179 PolarHBondContact O-SG 2.99Å; Q176-C179 WeakPolarHBondContact O-CB 3.38Å; Q176-C179 PolarHBondContact O-N 3.24Å; A177-C179 VanDerWaalsContact C-N 3.34Å; A177-C179 PolarHBondContact O-N 3.44Å; C179-R182 PolarHBondContact O-N 2.93Å; C179-Y183 WeakPolarHBondContact O-CB 3.39Å; C179-Y183 PolarHBondContact O-N 2.88Å |
| 180 | M | 93.5 | Very high | 92.8 | Very high | 111 Ų | 111 | 69.4 Ų | 69.4 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 179.3 | -68.8 | -172.3 | -61.2 | 0 | 0 | 112 | Q176 A177 R182 Y183 Q184 | Q176-M180 HydrophobicContact CG-CE 4.17Å; Q176-M180 HydrophobicContact CG-SD 4.43Å; Q176-M180 WeakPolarHBondContact O-CG 3.3Å; Q176-M180 PolarHBondContact O-N 3.29Å; A177-M180 HydrophobicContact CB-CE 4.45Å; A177-M180 PolarHBondContact O-N 3.09Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.24Å; M180-Y183 PolarHBondContact O-N 2.85Å; M180-Q184 PolarHBondContact O-N 2.98Å |
| 181 | L | 91.4 | Very high | 91.6 | Very high | 105 Ų | 105 | 69 Ų | 69 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.4 | -73.4 | 174.3 | 0 | 0 | 0 | 111.8 | A177 K185 | A177-L181 WeakPolarHBondContact O-CB 3.23Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.28Å; A177-L181 PolarHBondContact O-N 2.81Å; L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 WeakPolarHBondContact O-CG 3.4Å; L181-K185 PolarHBondContact O-N 2.67Å |
| 182 | R | 90.9 | Very high | 89.8 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.8 | -176.5 | 58.7 | -179.8 | 162.3 | 1.2 | 111.3 | V131 A178 C179 M180 K185 C186 | V131-R182 HydrophobicContact CB-CG 4.48Å; V131-R182 HydrophobicContact CG1-CB 3.8Å; V131-R182 HydrophobicContact CG1-CG 4.02Å; A178-R182 VanDerWaalsContact O-CB 3.26Å; A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 3.44Å; C179-R182 PolarHBondContact O-N 2.93Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.24Å; R182-K185 PolarHBondContact O-N 3.03Å; R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 VanDerWaalsContact O-N 3.15Å; R182-C186 PolarHBondContact O-SG 2.81Å; R182-C186 VanDerWaalsContact O-SG 3.4Å |
| 183 | Y | 91.9 | Very high | 88 | Confident | 153 Ų | 153 | 78 Ų | 78 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.9 | -49.1 | 175.6 | 178.5 | -109.3 | 0 | 0 | 0 | 111.5 | C179 M180 K185 C186 L187 | C179-Y183 WeakPolarHBondContact O-CB 3.39Å; C179-Y183 PolarHBondContact O-N 2.88Å; M180-Y183 PolarHBondContact O-N 2.85Å; Y183-K185 PolarHBondContact O-N 3.16Å; Y183-C186 WeakPolarHBondContact O-CB 3.29Å; Y183-C186 PolarHBondContact O-N 3.44Å; Y183-C186 VanDerWaalsContact O-N 3.09Å; Y183-L187 HydrophobicContact CD1-CD1 4.06Å; Y183-L187 HydrophobicContact CE1-CD1 3.47Å; Y183-L187 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L187 HydrophobicContact CE1-CG 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.5Å; Y183-L187 HydrophobicContact CE2-CD2 4.35Å; Y183-L187 HydrophobicContact CE2-CG 4.41Å; Y183-L187 PolarHBondContact O-N 3.5Å |
| 184 | Q | 90 | Very high | 86 | Confident | 94 Ų | 94 | 76 Ų | 76 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 178.3 | -172.6 | 60 | 47.6 | 0 | 0 | 111.9 | M180 C186 L187 D188 | M180-Q184 PolarHBondContact O-N 2.98Å; Q184-C186 PolarHBondContact O-N 2.89Å; Q184-L187 WeakPolarHBondContact O-CB 3.34Å; Q184-L187 PolarHBondContact O-N 2.97Å; Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 PolarHBondContact O-N 3.37Å |
| 185 | K | 88.8 | Confident | 83.8 | Confident | 107 Ų | 107 | 81 Ų | 81 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.8 | -34.2 | 176.7 | -76.4 | 179.2 | 177.7 | 178.3 | 0 | 112.8 | L181 R182 Y183 A189 | L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 WeakPolarHBondContact O-CG 3.4Å; L181-K185 PolarHBondContact O-N 2.67Å; R182-K185 PolarHBondContact O-N 3.03Å; Y183-K185 PolarHBondContact O-N 3.16Å; K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 2.99Å; K185-A189 VanDerWaalsContact O-N 3.16Å |
| 186 | C | 88.1 | Confident | 81.3 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 176.2 | -74.2 | 0 | 0 | 0 | 0 | 112.6 | R182 Y183 Q184 R190 | R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 VanDerWaalsContact O-N 3.15Å; R182-C186 PolarHBondContact O-SG 2.81Å; R182-C186 VanDerWaalsContact O-SG 3.4Å; Y183-C186 WeakPolarHBondContact O-CB 3.29Å; Y183-C186 PolarHBondContact O-N 3.44Å; Y183-C186 VanDerWaalsContact O-N 3.09Å; Q184-C186 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.49Å; C186-R190 PolarHBondContact O-N 2.87Å |
| 187 | L | 88.8 | Confident | 78.8 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.288 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 173.6 | -66.2 | -177.8 | 0 | 0 | 0 | 111.6 | Y183 Q184 A189 R190 S191 | Y183-L187 HydrophobicContact CD1-CD1 4.06Å; Y183-L187 HydrophobicContact CE1-CD1 3.47Å; Y183-L187 VanDerWaalsContact CE1-CD1 3.47Å; Y183-L187 HydrophobicContact CE1-CG 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.5Å; Y183-L187 HydrophobicContact CE2-CD2 4.35Å; Y183-L187 HydrophobicContact CE2-CG 4.41Å; Y183-L187 PolarHBondContact O-N 3.5Å; Q184-L187 WeakPolarHBondContact O-CB 3.34Å; Q184-L187 PolarHBondContact O-N 2.97Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.73Å; L187-R190 WeakPolarHBondContact O-CB 3.26Å; L187-R190 PolarHBondContact O-N 2.85Å; L187-S191 PolarHBondContact O-N 3.49Å |
| 188 | D | 88.6 | Confident | 76.3 | Confident | 70 Ų | 70 | 90.3 Ų | 90.3 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | -179.4 | -62.7 | -21.5 | 0 | 0 | 0 | 112.1 | Q184 R190 S191 Q192 | Q184-D188 PolarHBondContact NE2-OD1 3.11Å; Q184-D188 PolarHBondContact O-N 3.37Å; D188-R190 VanDerWaalsContact C-N 3.27Å; D188-R190 PolarHBondContact O-N 2.91Å; D188-S191 PolarHBondContact O-N 2.69Å; D188-S191 PolarHBondContact O-OG 2.95Å; D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.08Å; D188-Q192 VanDerWaalsContact O-N 3.15Å |
| 189 | A | 83.1 | Confident | 73.8 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K185 L187 T193 | K185-A189 WeakPolarHBondContact O-CB 3.43Å; K185-A189 PolarHBondContact O-N 2.99Å; K185-A189 VanDerWaalsContact O-N 3.16Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.73Å; A189-T193 PolarHBondContact O-N 2.85Å; A189-T193 PolarHBondContact O-OG1 3.37Å |
| 190 | R | 81 | Confident | 71.5 | Confident | 174 Ų | 174 | 98.4 Ų | 98.4 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -77 | -36.5 | 176.5 | -72.5 | 172.7 | 65.3 | -164.6 | -0.3 | 112.3 | C186 L187 D188 T193 S194 | C186-R190 VanDerWaalsContact O-CG 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.49Å; C186-R190 PolarHBondContact O-N 2.87Å; L187-R190 WeakPolarHBondContact O-CB 3.26Å; L187-R190 PolarHBondContact O-N 2.85Å; D188-R190 VanDerWaalsContact C-N 3.27Å; D188-R190 PolarHBondContact O-N 2.91Å; R190-T193 WeakPolarHBondContact CA-OG1 3.12Å; R190-T193 PolarHBondContact O-N 3.44Å; R190-T193 PolarHBondContact O-OG1 2.79Å; R190-S194 PolarHBondContact O-N 2.84Å |
| 191 | S | 72.1 | Confident | 69.2 | Low | 57 Ų | 57 | 98.6 Ų | 98.6 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 176.2 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | L187 D188 T193 S194 T195 | L187-S191 PolarHBondContact O-N 3.49Å; D188-S191 PolarHBondContact O-N 2.69Å; D188-S191 PolarHBondContact O-OG 2.95Å; S191-T193 PolarHBondContact O-N 3.42Å; S191-S194 PolarHBondContact O-N 3.5Å; S191-S194 PolarHBondContact O-OG 3.01Å; S191-T195 PolarHBondContact O-N 2.86Å; S191-T195 PolarHBondContact O-OG1 2.69Å |
| 192 | Q | 61.7 | Low | 67 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.2 | -25.5 | 176.1 | -71.7 | -176.3 | 10.7 | 0 | 0 | 114.3 | D188 | D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.08Å; D188-Q192 VanDerWaalsContact O-N 3.15Å |
| 193 | T | 58.9 | Low | 65 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -79.4 | -30.5 | 174.3 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | A189 R190 S191 S196 | A189-T193 PolarHBondContact O-N 2.85Å; A189-T193 PolarHBondContact O-OG1 3.37Å; R190-T193 WeakPolarHBondContact CA-OG1 3.12Å; R190-T193 PolarHBondContact O-N 3.44Å; R190-T193 PolarHBondContact O-OG1 2.79Å; S191-T193 PolarHBondContact O-N 3.42Å; T193-S196 PolarHBondContact O-OG 3.38Å |
| 194 | S | 57.3 | Low | 62.8 | Low | 88 Ų | 88 | 101.1 Ų | 101.1 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.4 | -27.4 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 115.9 | R190 S191 S196 | R190-S194 PolarHBondContact O-N 2.84Å; S191-S194 PolarHBondContact O-N 3.5Å; S191-S194 PolarHBondContact O-OG 3.01Å; S194-S196 VanDerWaalsContact C-N 3.33Å |
| 195 | T | 51.1 | Low | 60.4 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 3.7 | 176.2 | 21.4 | 0 | 0 | 0 | 0 | 114.2 | S191 C197 | S191-T195 PolarHBondContact O-N 2.86Å; S191-T195 PolarHBondContact O-OG1 2.69Å; T195-C197 PolarHBondContact O-N 3.13Å |
| 196 | S | 45.5 | Very low | 58.4 | Low | 63 Ų | 63 | 104.4 Ų | 104.4 | 44% | 0.441 | 64% | 0.637 | S | S | . | * | trans | -81.9 | 51 | 175.1 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | T193 S194 L198 | T193-S196 PolarHBondContact O-OG 3.38Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.64Å | ||
| 197 | C | 44.7 | Very low | 56.2 | Low | 111 Ų | 111 | 106 Ų | 106 | 75% | 0.75 | 65% | 0.654 | S | S | * | * | trans | -67 | 119.7 | 157.4 | -50.3 | 0 | 0 | 0 | 0 | 106.5 | T195 | T195-C197 PolarHBondContact O-N 3.13Š| ||
| 198 | L | 43.9 | Very low | 54.2 | Low | 158 Ų | 158 | 115 Ų | 115 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -35.3 | 131.9 | 180 | -59.5 | 164.5 | 0 | 0 | 0 | 112.6 | S196 A200 | S196-L198 PolarHBondContact O-N 2.64Å; L198-A200 PolarHBondContact O-N 2.71Å | ||
| 199 | P | 42 | Very low | 52.1 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.6 | 154 | 24.7 | -27.9 | 0 | 0 | 0 | 106.9 | ||
| 200 | A | 47.1 | Very low | 50.1 | Low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 133 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L198 | L198-A200 PolarHBondContact O-N 2.71Š|
| 201 | P | 46.1 | Very low | 48.1 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.8 | 176.6 | 24.6 | -31.4 | 0 | 0 | 0 | 108.5 | A203 | P201-A203 PolarHBondContact O-N 3.12Š|
| 202 | P | 45.3 | Very low | 46.1 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.1 | 173.4 | 22.6 | -30.6 | 0 | 0 | 0 | 109.4 | E204 | P202-E204 PolarHBondContact O-N 2.94Š|
| 203 | A | 47.9 | Very low | 45 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -67.1 | 13.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P201 | P201-A203 PolarHBondContact O-N 3.12Š|
| 204 | E | 47.3 | Very low | 44 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -134.4 | 88.2 | 177.6 | -68.3 | -165.3 | 159.1 | 0 | 0 | 110.9 | P202 | P202-E204 PolarHBondContact O-N 2.94Š| ||
| 205 | S | 38.5 | Very low | 43.3 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -146.9 | 94.7 | 159.8 | -82.2 | 0 | 0 | 0 | 0 | 109.3 | A207 | S205-A207 PolarHBondContact O-N 3.06Š| ||
| 206 | V | 47.9 | Very low | 42.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 98% | 0.982 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 79 | 168.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 207 | A | 41.3 | Very low | 41.9 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -130.6 | 101.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | S205 | S205-A207 PolarHBondContact O-N 3.06Š| ||
| 208 | R | 47.7 | Very low | 41.7 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -0.6 | 123.2 | 170.8 | -65.6 | -178 | -177.2 | 97.6 | 1.1 | 118.9 | ||||
| 209 | R | 43.7 | Very low | 41.4 | Very low | 242 Ų | 242 | 144.8 Ų | 144.8 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 116.9 | 159.6 | -174.3 | -171.8 | -63.6 | -165.6 | 0.9 | 111.4 | ||||
| 210 | V | 40.8 | Very low | 41.2 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -132.4 | 111.4 | 145.1 | -177.4 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 211 | G | 38.2 | Very low | 40.8 | Very low | 58 Ų | 58 | 147.9 Ų | 147.9 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | cis | 129.2 | 73.7 | 38.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 212 | W | 31.5 | Very low | 40.2 | Very low | 256 Ų | 256 | 154.4 Ų | 154.4 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | -151.9 | 85.3 | 160.4 | -135.7 | -56.1 | 0 | 0 | 0 | 109.8 | ||||
| 213 | T | 37.1 | Very low | 39.5 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -86.9 | 139.8 | 151.9 | 37.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 214 | V | 39.3 | Very low | 39 | Very low | 117 Ų | 117 | 153 Ų | 153 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | -164.3 | 121.6 | 66.5 | 167.2 | 0 | 0 | 0 | 0 | 104.8 | |||||
| 215 | R | 41.8 | Very low | 38.2 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | 52.1 | 143.6 | 94.8 | -71.9 | -176.2 | 175.2 | -169.5 | 0.3 | 112.5 | |||||
| 216 | R | 36.4 | Very low | 38.2 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 76% | 0.758 | 82% | 0.817 | S | S | * | * | cis | -176.6 | 160.1 | 22.7 | -131.3 | 177 | -164.5 | -175.6 | 1.9 | 107.6 | V218 | R216-V218 HydrophobicContact CG-CG2 4.35Š| ||
| 217 | G | 31.4 | Very low | 37.8 | Very low | 72 Ų | 72 | 154.7 Ų | 154.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 163.5 | 59 | 160 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 218 | V | 39.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 160.3 Ų | 160.3 | 70% | 0.697 | 82% | 0.817 | S | S | * | * | 52.7 | 94.5 | 101.9 | -176 | 0 | 0 | 0 | 0 | 112.9 | R216 | R216-V218 HydrophobicContact CG-CG2 4.35Š| |||
| 219 | Q | 38.8 | Very low | 36.8 | Very low | 194 Ų | 194 | 159.8 Ų | 159.8 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -64.4 | 133.3 | 150.6 | -71.1 | 170.7 | -24.5 | 0 | 0 | 109 | ||||
| 220 | S | 37.3 | Very low | 36.3 | Very low | 116 Ų | 116 | 156.8 Ų | 156.8 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -115.7 | 133.9 | 163.6 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 221 | L | 37.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 154.3 | -177.8 | -82.7 | 129.1 | 0 | 0 | 0 | 113.4 | ||||
| 222 | W | 35.5 | Very low | 35.7 | Very low | 253 Ų | 253 | 155.6 Ų | 155.6 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | 12 | 137.5 | 150.8 | -80.5 | -21.7 | 0 | 0 | 0 | 121.8 | ||||
| 223 | G | 30.1 | Very low | 35.9 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 174.4 | 108 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 224 | S | 37.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -56.1 | 150.1 | 172.3 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | L | 31.2 | Very low | 36.2 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | 166 | 115.2 | 132.7 | -84.9 | 160 | 0 | 0 | 0 | 111.3 | ||||
| 226 | K | 37.2 | Very low | 36 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -70.5 | 160.5 | 148.6 | -74.3 | -172 | 178.3 | -179.4 | 0 | 107.7 | ||||
| 227 | P | 40.8 | Very low | 35.9 | Very low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | cis | -150.3 | -177.1 | 34.1 | 38.8 | -15.8 | 0 | 0 | 0 | 117.5 | ||||
| 228 | K | 28.8 | Very low | 36.2 | Very low | 207 Ų | 207 | 155.4 Ų | 155.4 | 90% | 0.9 | 85% | 0.849 | S | S | * | * | trans | 119.4 | 135.5 | 137.6 | -138.5 | 172.6 | -173.3 | -179.1 | 0 | 117.1 | ||||
| 229 | R | 38.4 | Very low | 36 | Very low | 232 Ų | 232 | 157.8 Ų | 157.8 | 88% | 0.875 | 86% | 0.858 | S | S | * | * | trans | -72.8 | 154.8 | -172 | -60 | 174.7 | -176.8 | 177.4 | -0.5 | 114.2 | ||||
| 230 | L | 33.3 | Very low | 35.8 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 94% | 0.937 | 86% | 0.855 | S | S | * | * | 168 | 134.2 | 128.7 | -110.8 | 79.8 | 0 | 0 | 0 | 104.7 | |||||
| 231 | G | 32.5 | Very low | 35.7 | Very low | 63 Ų | 63 | 158.1 Ų | 158.1 | 65% | 0.649 | 86% | 0.858 | S | S | * | * | cis | 121.5 | 130.1 | 33 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 232 | S | 33 | Very low | 35.6 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | trans | 78.7 | 114 | 168.4 | 73.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 233 | Q | 36.3 | Very low | 35.6 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 85% | 0.853 | S | S | * | * | 105.6 | 106.6 | 77 | -84.7 | -152.3 | 1.7 | 0 | 0 | 109.5 | |||||
| 234 | T | 32.7 | Very low | 36 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 70% | 0.699 | 86% | 0.86 | S | S | * | * | 57.4 | 143 | 102.1 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 235 | P | 50.9 | Low | 35.9 | Very low | 202 Ų | 202 | 161.3 Ų | 161.3 | 100% | 1.312 | 87% | 0.866 | S | S | * | * | -101.4 | 0 | 63.5 | -8.4 | 27.7 | 0 | 0 | 0 | 115.2 |
Retrieved 235 of 235 residues in 749.5 ms
(Link to these results)