| 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 | 36.5 | Very low | 48.9 | Very low | 225 Ų | 225 | 116.8 Ų | 116.8 | 100% | 1.108 | 61% | 0.612 | S | S | * | * | 0 | 92.4 | 0 | -170.8 | 161.8 | -178 | 0 | 0 | 106.1 | L3 | M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | F | 36.8 | Very low | 49.5 | Very low | 190 Ų | 190 | 109.8 Ų | 109.8 | 83% | 0.833 | 58% | 0.579 | S | S | * | * | trans | -71.5 | 95.8 | -178.1 | -86.9 | -87.7 | 0 | 0 | 0 | 108.7 | L4 | F2-L4 HydrophobicContact CB-CD1 4.49Å; F2-L4 HydrophobicContact CB-CG 4.23Å; F2-L4 HydrophobicContact CD1-CD1 4.27Å; F2-L4 HydrophobicContact CD1-CD2 4.19Å; F2-L4 HydrophobicContact CD1-CG 4.07Å; F2-L4 PolarHBondContact O-N 3.49Å; F2-L4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | L | 36.9 | Very low | 50.2 | Low | 158 Ų | 158 | 104 Ų | 104 | 83% | 0.827 | 55% | 0.548 | S | S | * | . | trans | -79.8 | 77.5 | 161.8 | -67.7 | 172.5 | 0 | 0 | 0 | 106.7 | M1 D5 | M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.3Å; L3-D5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | L | 39.6 | Very low | 50.8 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | trans | -77.4 | 92.6 | 172.5 | -73 | 170.3 | 0 | 0 | 0 | 108.3 | F2 S6 | F2-L4 HydrophobicContact CB-CD1 4.49Å; F2-L4 HydrophobicContact CB-CG 4.23Å; F2-L4 HydrophobicContact CD1-CD1 4.27Å; F2-L4 HydrophobicContact CD1-CD2 4.19Å; F2-L4 HydrophobicContact CD1-CG 4.07Å; F2-L4 PolarHBondContact O-N 3.49Å; F2-L4 VanDerWaalsContact O-N 3.16Å; L4-S6 PolarHBondContact O-N 3.47Å | ||
| 5 | D | 52.3 | Low | 51.1 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | trans | 38.8 | 68.5 | 138.5 | -131.6 | -79.5 | 0 | 0 | 0 | 115.7 | L3 D7 S8 Q9 | L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.3Å; L3-D5 VanDerWaalsContact O-N 3.07Å; D5-D7 PolarHBondContact O-N 3.46Å; D5-S8 WeakPolarHBondContact OD1-CA 3.3Å; D5-S8 WeakPolarHBondContact OD1-CB 3.4Å; D5-S8 PolarHBondContact OD1-N 2.69Å; D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 3.04Å; D5-Q9 PolarHBondContact O-NE2 3.43Å | ||
| 6 | S | 53.5 | Low | 51.4 | Low | 80 Ų | 80 | 99.3 Ų | 99.3 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -26.5 | 168.2 | 33.6 | 0 | 0 | 0 | 0 | 111.7 | L4 L10 | L4-S6 PolarHBondContact O-N 3.47Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 WeakPolarHBondContact O-CD1 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 3.25Å; S6-L10 VanDerWaalsContact O-N 3.08Å |
| 7 | D | 55.7 | Low | 51.6 | Low | 114 Ų | 114 | 102.3 Ų | 102.3 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.3 | -47.1 | -179.6 | -67.4 | -53.2 | 0 | 0 | 0 | 112 | D5 Q9 L10 D11 | D5-D7 PolarHBondContact O-N 3.46Å; D7-Q9 VanDerWaalsContact C-N 3.32Å; D7-Q9 PolarHBondContact O-N 3.17Å; D7-L10 PolarHBondContact O-N 3.06Å; D7-D11 WeakPolarHBondContact O-CB 3.44Å; D7-D11 VanDerWaalsContact O-CG 3.3Å; D7-D11 PolarHBondContact O-N 3.36Å |
| 8 | S | 57.3 | Low | 51.5 | Low | 51 Ų | 51 | 106.4 Ų | 106.4 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -35.2 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 112 | D5 D11 C12 | D5-S8 WeakPolarHBondContact OD1-CA 3.3Å; D5-S8 WeakPolarHBondContact OD1-CB 3.4Å; D5-S8 PolarHBondContact OD1-N 2.69Å; S8-D11 PolarHBondContact O-N 3.28Å; S8-C12 PolarHBondContact O-N 3.07Å; S8-C12 PolarHBondContact O-SG 3.47Å |
| 9 | Q | 53.7 | Low | 51.3 | Low | 62 Ų | 62 | 103.6 Ų | 103.6 | 29% | 0.29 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -39.4 | 175.7 | -74.9 | 176.9 | 56.8 | 0 | 0 | 112.4 | D5 D7 C12 I13 | D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 3.04Å; D5-Q9 PolarHBondContact O-NE2 3.43Å; D7-Q9 VanDerWaalsContact C-N 3.32Å; D7-Q9 PolarHBondContact O-N 3.17Å; Q9-C12 PolarHBondContact O-N 3.46Å; Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 3.25Å |
| 10 | L | 55.8 | Low | 51 | Low | 106 Ų | 106 | 102 Ų | 102 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.8 | -38.4 | 175.1 | -74.6 | 168.3 | 0 | 0 | 0 | 111.7 | S6 D7 C12 I13 S14 | S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 WeakPolarHBondContact O-CD1 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 3.25Å; S6-L10 VanDerWaalsContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 3.06Å; L10-C12 PolarHBondContact O-N 2.76Å; L10-I13 PolarHBondContact O-N 2.87Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.98Å |
| 11 | D | 59.5 | Low | 51.3 | Low | 100 Ų | 100 | 104.7 Ų | 104.7 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.5 | -31.8 | 177.7 | -77.9 | -21 | 0 | 0 | 0 | 112.6 | D7 S8 S14 N15 | D7-D11 WeakPolarHBondContact O-CB 3.44Å; D7-D11 VanDerWaalsContact O-CG 3.3Å; D7-D11 PolarHBondContact O-N 3.36Å; S8-D11 PolarHBondContact O-N 3.28Å; D11-S14 WeakPolarHBondContact CA-OG 3.4Å; D11-S14 PolarHBondContact O-OG 3.23Å; D11-N15 VanDerWaalsContact O-CB 3.3Å; D11-N15 WeakPolarHBondContact O-CB 3.23Å; D11-N15 PolarHBondContact O-N 2.9Å |
| 12 | C | 56.4 | Low | 52.5 | Low | 32 Ų | 32 | 95.8 Ų | 95.8 | 22% | 0.216 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -77 | -33.5 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | S8 Q9 L10 L16 Q42 C45 | S8-C12 PolarHBondContact O-N 3.07Å; S8-C12 PolarHBondContact O-SG 3.47Å; Q9-C12 PolarHBondContact O-N 3.46Å; L10-C12 PolarHBondContact O-N 2.76Å; C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 PolarHBondContact O-N 3.44Å; C12-Q42 VanDerWaalsContact CB-OE1 3.24Å; C12-Q42 PolarHBondContact SG-NE2 3.25Å; C12-Q42 PolarHBondContact SG-OE1 3.36Å; C12-C45 HydrophobicContact CB-CB 4.5Å; C12-C45 WeakPolarHBondContact CB-SG 3.44Å |
| 13 | I | 58.7 | Low | 53.9 | Low | 35 Ų | 35 | 88.3 Ų | 88.3 | 18% | 0.179 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 172.9 | -61.3 | 167.8 | 0 | 0 | 0 | 110.1 | Q9 L10 L16 F17 F44 | Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 3.25Å; L10-I13 PolarHBondContact O-N 2.87Å; I13-L16 PolarHBondContact O-N 3.17Å; I13-F17 PolarHBondContact O-N 3.43Å; I13-F44 HydrophobicContact CD1-CD1 4.16Å; I13-F44 HydrophobicContact CD1-CE1 3.88Å |
| 14 | S | 58.5 | Low | 55.4 | Low | 55 Ų | 55 | 83.8 Ų | 83.8 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -44.1 | 179 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | L10 D11 L16 F17 E18 | L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.98Å; D11-S14 WeakPolarHBondContact CA-OG 3.4Å; D11-S14 PolarHBondContact O-OG 3.23Å; S14-L16 PolarHBondContact O-N 2.9Å; S14-F17 PolarHBondContact O-N 3.45Å; S14-E18 PolarHBondContact O-N 3.23Å; S14-E18 VanDerWaalsContact O-N 3.13Å |
| 15 | N | 55.9 | Low | 57.2 | Low | 128 Ų | 128 | 82.4 Ų | 82.4 | 68% | 0.684 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.4 | -31.1 | 172.6 | -104.7 | 22.6 | 0 | 0 | 0 | 112.4 | D11 | D11-N15 VanDerWaalsContact O-CB 3.3Å; D11-N15 WeakPolarHBondContact O-CB 3.23Å; D11-N15 PolarHBondContact O-N 2.9Å |
| 16 | L | 55.8 | Low | 58.5 | Low | 53 Ų | 53 | 81.3 Ų | 81.3 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.9 | -31.8 | 176.6 | -175.7 | 67.9 | 0 | 0 | 0 | 112.2 | C12 I13 S14 P33 W48 L49 | C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 PolarHBondContact O-N 3.44Å; I13-L16 PolarHBondContact O-N 3.17Å; S14-L16 PolarHBondContact O-N 2.9Å; L16-P33 HydrophobicContact CD1-CB 3.57Å; L16-P33 HydrophobicContact CD1-CG 3.61Å; L16-W48 HydrophobicContact CD2-CZ3 4.14Å; L16-L49 HydrophobicContact CD2-CD1 4.33Å; L16-L49 HydrophobicContact CD2-CD2 3.4Å; L16-L49 HydrophobicContact CD2-CG 3.95Å |
| 17 | F | 53.7 | Low | 59.9 | Low | 151 Ų | 151 | 80.4 Ų | 80.4 | 66% | 0.662 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -82 | -25 | -177.8 | -124.4 | -88.1 | 0 | 0 | 0 | 114.1 | I13 S14 G19 W48 | I13-F17 PolarHBondContact O-N 3.43Å; S14-F17 PolarHBondContact O-N 3.45Å; F17-G19 PolarHBondContact O-N 2.98Å; F17-W48 HydrophobicContact CD2-CH2 4.29Å; F17-W48 AromaticContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CZ2 4.2Å |
| 18 | E | 50.7 | Low | 61.2 | Low | 176 Ų | 176 | 81.6 Ų | 81.6 | 82% | 0.822 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -68.9 | -20.3 | 176.2 | -74.8 | -165.2 | 150.4 | 0 | 0 | 113 | S14 | S14-E18 PolarHBondContact O-N 3.23Å; S14-E18 VanDerWaalsContact O-N 3.13Å |
| 19 | G | 46.8 | Very low | 62.3 | Low | 53 Ų | 53 | 83.9 Ų | 83.9 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -99.5 | 83.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F17 D21 | F17-G19 PolarHBondContact O-N 2.98Å; G19-D21 PolarHBondContact O-N 3.29Å; G19-D21 VanDerWaalsContact O-N 3.08Å |
| 20 | G | 45.8 | Very low | 63.8 | Low | 72 Ų | 72 | 81.3 Ų | 81.3 | 74% | 0.742 | 48% | 0.481 | S | S | * | . | trans | -28.1 | 107.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 21 | D | 57 | Low | 65.2 | Low | 158 Ų | 158 | 77.5 Ų | 77.5 | 85% | 0.845 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 48.5 | 69.5 | 146.5 | -140.5 | -10.6 | 0 | 0 | 0 | 118.1 | G19 | G19-D21 PolarHBondContact O-N 3.29Å; G19-D21 VanDerWaalsContact O-N 3.08Å |
| 22 | A | 61.2 | Low | 66.6 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 31% | 0.314 | 44% | 0.435 | S | S | . | . | trans | -150.9 | 91 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N24 S25 | A22-N24 PolarHBondContact O-N 2.79Å; A22-S25 WeakPolarHBondContact CB-OG 3.14Å; A22-S25 WeakPolarHBondContact O-CB 3.08Å; A22-S25 PolarHBondContact O-N 3.38Å | ||
| 23 | V | 66.9 | Low | 67.9 | Low | 33 Ų | 33 | 72 Ų | 72 | 20% | 0.2 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -20.7 | 170 | -77.8 | 0 | 0 | 0 | 0 | 113.9 | P33 L49 A54 | V23-P33 WeakPolarHBondContact O-CD 3.5Å; V23-L49 HydrophobicContact CG1-CD2 4.25Å; V23-A54 HydrophobicContact CB-CB 4.37Å |
| 24 | N | 67.9 | Low | 69.3 | Low | 64 Ų | 64 | 70.3 Ų | 70.3 | 34% | 0.342 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 4.8 | 176.7 | -65.5 | -48.3 | 0 | 0 | 0 | 114.2 | A22 S26 G53 A54 D55 Q58 | A22-N24 PolarHBondContact O-N 2.79Å; N24-S26 PolarHBondContact O-N 3.12Å; N24-G53 PolarHBondContact ND2-O 3.07Å; N24-A54 VanDerWaalsContact OD1-CA 3.32Å; N24-A54 WeakPolarHBondContact OD1-CA 3.28Å; N24-D55 PolarHBondContact OD1-N 2.91Å; N24-Q58 PolarHBondContact O-NE2 3.36Å |
| 25 | S | 77.2 | Confident | 70.8 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | trans | -64.8 | 122.2 | 177.9 | -99.9 | 0 | 0 | 0 | 0 | 110.4 | A22 P33 | A22-S25 WeakPolarHBondContact CB-OG 3.14Å; A22-S25 WeakPolarHBondContact O-CB 3.08Å; A22-S25 PolarHBondContact O-N 3.38Å; S25-P33 WeakPolarHBondContact O-CD 3.44Å | ||
| 26 | S | 81.1 | Confident | 72.2 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -88.3 | 140.8 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | N24 G30 Q31 | N24-S26 PolarHBondContact O-N 3.12Å; S26-G30 VanDerWaalsContact CB-C 3.45Å; S26-G30 WeakPolarHBondContact CB-O 3.35Å; S26-Q31 CarbonylContact C-O 3.58Å; S26-Q31 WeakPolarHBondContact CA-O 3.33Å | ||
| 27 | N | 81.7 | Confident | 73.7 | Confident | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | trans | -70.9 | -176.5 | 167.3 | 71.7 | 8.3 | 0 | 0 | 0 | 111.6 | L29 G30 Q31 | N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 WeakPolarHBondContact OD1-CA 3.42Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 3.37Å; N27-G30 PolarHBondContact O-N 2.72Å; N27-G30 PolarHBondContact OD1-N 3.22Å; N27-Q31 PolarHBondContact N-O 3.15Å; N27-Q31 PolarHBondContact ND2-OE1 3.06Å; N27-Q31 WeakPolarHBondContact OD1-CB 3.35Å; N27-Q31 PolarHBondContact OD1-N 2.9Å | ||
| 28 | V | 83.3 | Confident | 75.4 | Confident | 140 Ų | 140 | 55.8 Ų | 55.8 | 85% | 0.848 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.2 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | N61 | V28-N61 PolarHBondContact O-ND2 2.82Š|
| 29 | L | 81.3 | Confident | 77.1 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 5.3 | 176.4 | -58 | 177.7 | 0 | 0 | 0 | 112.7 | N27 Q31 N61 | N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 WeakPolarHBondContact OD1-CA 3.42Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 3.37Å; L29-Q31 HydrophobicContact CB-CG 4Å; L29-Q31 PolarHBondContact O-N 2.93Å; L29-N61 VanDerWaalsContact O-CB 3.29Å; L29-N61 WeakPolarHBondContact O-CB 3.32Å; L29-N61 PolarHBondContact O-N 2.92Å; L29-N61 PolarHBondContact O-ND2 3.28Å |
| 30 | G | 85.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 78.7 | 4.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S26 N27 D60 N61 | S26-G30 VanDerWaalsContact CB-C 3.45Å; S26-G30 WeakPolarHBondContact CB-O 3.35Å; N27-G30 PolarHBondContact O-N 2.72Å; N27-G30 PolarHBondContact OD1-N 3.22Å; G30-D60 WeakPolarHBondContact O-CA 3.45Å; G30-N61 WeakPolarHBondContact CA-OD1 3.24Å |
| 31 | Q | 85.2 | Confident | 80.7 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | trans | -84 | 122.2 | -174.1 | -57.3 | 176.7 | -68.5 | 0 | 0 | 110.9 | S26 N27 L29 H35 L36 D60 | S26-Q31 CarbonylContact C-O 3.58Å; S26-Q31 WeakPolarHBondContact CA-O 3.33Å; N27-Q31 PolarHBondContact N-O 3.15Å; N27-Q31 PolarHBondContact ND2-OE1 3.06Å; N27-Q31 WeakPolarHBondContact OD1-CB 3.35Å; N27-Q31 PolarHBondContact OD1-N 2.9Å; L29-Q31 HydrophobicContact CB-CG 4Å; L29-Q31 PolarHBondContact O-N 2.93Å; Q31-H35 HydrophobicContact CB-CB 3.88Å; Q31-H35 HydrophobicContact CG-CB 4.38Å; Q31-L36 HydrophobicContact CB-CD2 4.37Å; Q31-D60 HydrophobicContact CG-CB 3.94Å | ||
| 32 | S | 87.5 | Confident | 82 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 166 | 169.4 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | A34 H35 L36 Q58 | S32-A34 PolarHBondContact O-N 3.49Å; S32-A34 VanDerWaalsContact O-N 3.11Å; S32-H35 PolarHBondContact N-ND1 3.46Å; S32-H35 VanDerWaalsContact N-ND1 3.17Å; S32-H35 VanDerWaalsContact O-CB 3.31Å; S32-H35 WeakPolarHBondContact O-CB 3.49Å; S32-H35 PolarHBondContact O-N 2.9Å; S32-H35 PolarHBondContact OG-ND1 2.97Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-Q58 PolarHBondContact OG-OE1 3.38Å | ||
| 33 | P | 84.7 | Confident | 83.2 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -50 | -36.1 | 173.4 | -31.3 | 37.3 | 0 | 0 | 0 | 113.7 | L16 V23 S25 H35 L36 A37 L49 | L16-P33 HydrophobicContact CD1-CB 3.57Å; L16-P33 HydrophobicContact CD1-CG 3.61Å; V23-P33 WeakPolarHBondContact O-CD 3.5Å; S25-P33 WeakPolarHBondContact O-CD 3.44Å; P33-H35 VanDerWaalsContact C-N 3.32Å; P33-H35 PolarHBondContact O-N 2.88Å; P33-L36 PolarHBondContact O-N 2.84Å; P33-A37 WeakPolarHBondContact O-CB 3.32Å; P33-A37 PolarHBondContact O-N 3.43Å; P33-L49 HydrophobicContact CB-CD1 3.71Å; P33-L49 HydrophobicContact CB-CD2 3.65Å; P33-L49 HydrophobicContact CB-CG 4.35Å; P33-L49 HydrophobicContact CG-CD2 4.48Å |
| 34 | A | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S32 A38 L46 A54 P66 | S32-A34 PolarHBondContact O-N 3.49Å; S32-A34 VanDerWaalsContact O-N 3.11Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.91Å; A34-L46 HydrophobicContact CB-CD1 3.88Å; A34-L46 WeakPolarHBondContact O-CD1 3.4Å; A34-A54 HydrophobicContact CB-CB 4.45Å; A34-P66 HydrophobicContact CB-CB 4.38Å; A34-P66 HydrophobicContact CB-CG 3.88Å |
| 35 | H | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.1 | -67.9 | 82.6 | 0 | 0 | 0 | 111.7 | Q31 S32 P33 C39 Q58 E64 K69 | Q31-H35 HydrophobicContact CB-CB 3.88Å; Q31-H35 HydrophobicContact CG-CB 4.38Å; S32-H35 PolarHBondContact N-ND1 3.46Å; S32-H35 VanDerWaalsContact N-ND1 3.17Å; S32-H35 VanDerWaalsContact O-CB 3.31Å; S32-H35 WeakPolarHBondContact O-CB 3.49Å; S32-H35 PolarHBondContact O-N 2.9Å; S32-H35 PolarHBondContact OG-ND1 2.97Å; P33-H35 VanDerWaalsContact C-N 3.32Å; P33-H35 PolarHBondContact O-N 2.88Å; H35-C39 VanDerWaalsContact O-CB 3.25Å; H35-C39 WeakPolarHBondContact O-CB 3.42Å; H35-C39 PolarHBondContact O-N 3.35Å; H35-Q58 PolarHBondContact CE1-O 2.97Å; H35-Q58 PolarHBondContact NE2-O 3.32Å; H35-Q58 VanDerWaalsContact NE2-O 3.08Å; H35-E64 PolarHBondContact CD2-O 2.82Å; H35-E64 PolarHBondContact NE2-O 3.13Å; H35-K69 HydrophobicContact CB-CG 4.29Å |
| 36 | L | 85.9 | Confident | 85.2 | Confident | 78 Ų | 78 | 40.3 Ų | 40.3 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.5 | -47 | -178.9 | -60.1 | 177.5 | 0 | 0 | 0 | 110.6 | Q31 S32 P33 A38 C39 S40 | Q31-L36 HydrophobicContact CB-CD2 4.37Å; S32-L36 PolarHBondContact O-N 3.49Å; P33-L36 PolarHBondContact O-N 2.84Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.19Å; L36-C39 PolarHBondContact O-N 3.17Å; L36-S40 WeakPolarHBondContact O-CB 3.14Å; L36-S40 PolarHBondContact O-N 3.18Å; L36-S40 PolarHBondContact O-OG 2.82Å; L36-S40 VanDerWaalsContact O-OG 3.08Å |
| 37 | A | 86.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P33 S40 G41 Q42 C45 L46 L49 | P33-A37 WeakPolarHBondContact O-CB 3.32Å; P33-A37 PolarHBondContact O-N 3.43Å; A37-S40 PolarHBondContact O-N 3.35Å; A37-G41 PolarHBondContact O-N 3.46Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A37-Q42 PolarHBondContact O-N 3.25Å; A37-C45 HydrophobicContact CB-CB 4.25Å; A37-L46 HydrophobicContact CB-CB 4.05Å; A37-L46 HydrophobicContact CB-CD1 4.36Å; A37-L49 HydrophobicContact CB-CD1 4Å |
| 38 | A | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A34 L36 S40 G41 L46 P66 K69 A70 | A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.91Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.19Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-G41 PolarHBondContact O-N 3.01Å; A38-L46 HydrophobicContact CB-CD1 4.43Å; A38-L46 HydrophobicContact CB-CD2 4.05Å; A38-P66 HydrophobicContact CB-CB 4.19Å; A38-P66 VanDerWaalsContact CB-O 3.24Å; A38-P66 WeakPolarHBondContact CB-O 3.38Å; A38-K69 HydrophobicContact CB-CB 4.14Å; A38-A70 HydrophobicContact CB-CB 4.18Å |
| 39 | C | 87.4 | Confident | 85.8 | Confident | 67 Ų | 67 | 34 Ų | 34 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | H35 L36 G41 K69 A73 | H35-C39 VanDerWaalsContact O-CB 3.25Å; H35-C39 WeakPolarHBondContact O-CB 3.42Å; H35-C39 PolarHBondContact O-N 3.35Å; L36-C39 PolarHBondContact O-N 3.17Å; C39-G41 VanDerWaalsContact C-N 3.27Å; C39-K69 HydrophobicContact CB-CB 4.13Å; C39-A73 WeakPolarHBondContact O-CB 3.49Å |
| 40 | S | 82.9 | Confident | 86 | Confident | 78 Ų | 78 | 30.3 Ų | 30.3 | 55% | 0.545 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.7 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | L36 A37 A38 Q42 | L36-S40 WeakPolarHBondContact O-CB 3.14Å; L36-S40 PolarHBondContact O-N 3.18Å; L36-S40 PolarHBondContact O-OG 2.82Å; L36-S40 VanDerWaalsContact O-OG 3.08Å; A37-S40 PolarHBondContact O-N 3.35Å; A38-S40 VanDerWaalsContact C-N 3.34Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; S40-Q42 PolarHBondContact O-N 3.22Å |
| 41 | G | 84.1 | Confident | 86 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 18 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A37 A38 C39 A43 C78 | A37-G41 PolarHBondContact O-N 3.46Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A38-G41 PolarHBondContact O-N 3.01Å; C39-G41 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.2Å; G41-A43 VanDerWaalsContact O-N 3.16Å; G41-C78 VanDerWaalsContact CA-SG 3.55Å |
| 42 | Q | 84.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | trans | -88.7 | 79 | -174.8 | -66 | 169.9 | 3.2 | 0 | 0 | 111.5 | C12 A37 S40 F44 C45 L46 | C12-Q42 VanDerWaalsContact CB-OE1 3.24Å; C12-Q42 PolarHBondContact SG-NE2 3.25Å; C12-Q42 PolarHBondContact SG-OE1 3.36Å; A37-Q42 PolarHBondContact O-N 3.25Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; S40-Q42 PolarHBondContact O-N 3.22Å; Q42-F44 VanDerWaalsContact C-N 3.29Å; Q42-F44 PolarHBondContact O-N 3.05Å; Q42-C45 HydrophobicContact CB-CB 4.03Å; Q42-C45 PolarHBondContact O-N 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.31Å; Q42-L46 PolarHBondContact O-N 3.19Å | ||
| 43 | A | 86.8 | Confident | 85.7 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | G41 L46 L47 E77 V81 | G41-A43 PolarHBondContact O-N 3.2Å; G41-A43 VanDerWaalsContact O-N 3.16Å; A43-L46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 2.89Å; A43-E77 HydrophobicContact CB-CB 3.64Å; A43-V81 HydrophobicContact CB-CG2 4.12Å |
| 44 | F | 85.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 40.3 Ų | 40.3 | 47% | 0.474 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -45 | 178.9 | -172.4 | -96.9 | 0 | 0 | 0 | 112.6 | I13 Q42 L46 L47 W48 | I13-F44 HydrophobicContact CD1-CD1 4.16Å; I13-F44 HydrophobicContact CD1-CE1 3.88Å; Q42-F44 VanDerWaalsContact C-N 3.29Å; Q42-F44 PolarHBondContact O-N 3.05Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.49Å; F44-L47 PolarHBondContact O-N 2.92Å; F44-W48 PolarHBondContact O-N 3.35Å |
| 45 | C | 82.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | C12 A37 Q42 W48 L49 | C12-C45 HydrophobicContact CB-CB 4.5Å; C12-C45 WeakPolarHBondContact CB-SG 3.44Å; A37-C45 HydrophobicContact CB-CB 4.25Å; Q42-C45 HydrophobicContact CB-CB 4.03Å; Q42-C45 PolarHBondContact O-N 3.31Å; C45-W48 PolarHBondContact O-N 2.92Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.34Å; C45-L49 PolarHBondContact O-N 3.41Å |
| 46 | L | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.9 | -174.9 | 60.4 | 0 | 0 | 0 | 111.8 | A34 A37 A38 Q42 A43 F44 W48 L49 L50 C78 V81 L82 | A34-L46 HydrophobicContact CB-CD1 3.88Å; A34-L46 WeakPolarHBondContact O-CD1 3.4Å; A37-L46 HydrophobicContact CB-CB 4.05Å; A37-L46 HydrophobicContact CB-CD1 4.36Å; A38-L46 HydrophobicContact CB-CD1 4.43Å; A38-L46 HydrophobicContact CB-CD2 4.05Å; Q42-L46 WeakPolarHBondContact O-CB 3.31Å; Q42-L46 PolarHBondContact O-N 3.19Å; A43-L46 PolarHBondContact O-N 3.16Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.49Å; L46-W48 PolarHBondContact O-N 3.4Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.29Å; L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 4.16Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.46Å; L46-C78 HydrophobicContact CD2-CB 3.84Å; L46-V81 HydrophobicContact CB-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG1 4.36Å; L46-V81 HydrophobicContact CG-CG1 4.14Å; L46-L82 HydrophobicContact CD1-CD2 4.38Å; L46-L82 HydrophobicContact CD2-CD1 4.02Å; L46-L82 HydrophobicContact CD2-CD2 4.19Å; L46-L82 HydrophobicContact CD2-CG 3.79Å; L46-L82 HydrophobicContact CG-CD2 4.5Å |
| 47 | L | 87.1 | Confident | 85.8 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.5 | 177.5 | 63.6 | 0 | 0 | 0 | 111.3 | A43 F44 L49 L50 Q51 V81 | A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 2.89Å; F44-L47 PolarHBondContact O-N 2.92Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-Q51 HydrophobicContact CD1-CG 4.38Å; L47-Q51 WeakPolarHBondContact O-CB 3.49Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 2.9Å; L47-V81 HydrophobicContact CB-CG1 3.75Å; L47-V81 HydrophobicContact CB-CG2 4.28Å; L47-V81 HydrophobicContact CD1-CG1 4.08Å |
| 48 | W | 85 | Confident | 85.9 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 29% | 0.292 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 179.1 | -171.6 | 89.8 | 0 | 0 | 0 | 111.9 | L16 F17 F44 C45 L46 L50 Q51 T52 | L16-W48 HydrophobicContact CD2-CZ3 4.14Å; F17-W48 HydrophobicContact CD2-CH2 4.29Å; F17-W48 AromaticContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CZ2 4.2Å; F44-W48 PolarHBondContact O-N 3.35Å; C45-W48 PolarHBondContact O-N 2.92Å; L46-W48 PolarHBondContact O-N 3.4Å; W48-L50 PolarHBondContact O-N 2.94Å; W48-Q51 PolarHBondContact O-N 3.04Å; W48-T52 HydrophobicContact CD2-CG2 4Å; W48-T52 HydrophobicContact CE3-CG2 4.01Å; W48-T52 HydrophobicContact CH2-CG2 3.71Å; W48-T52 HydrophobicContact CZ2-CG2 3.7Å; W48-T52 HydrophobicContact CZ3-CG2 3.87Å; W48-T52 WeakPolarHBondContact O-CG2 3.22Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 2.82Å |
| 49 | L | 85 | Confident | 86 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 173.4 | -82.1 | 167.2 | 0 | 0 | 0 | 112.2 | L16 V23 P33 A37 C45 L46 L47 Q51 T52 G53 A54 | L16-L49 HydrophobicContact CD2-CD1 4.33Å; L16-L49 HydrophobicContact CD2-CD2 3.4Å; L16-L49 HydrophobicContact CD2-CG 3.95Å; V23-L49 HydrophobicContact CG1-CD2 4.25Å; P33-L49 HydrophobicContact CB-CD1 3.71Å; P33-L49 HydrophobicContact CB-CD2 3.65Å; P33-L49 HydrophobicContact CB-CG 4.35Å; P33-L49 HydrophobicContact CG-CD2 4.48Å; A37-L49 HydrophobicContact CB-CD1 4Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.34Å; C45-L49 PolarHBondContact O-N 3.41Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.29Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 3.04Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.39Å; L49-T52 VanDerWaalsContact CA-OG1 3.32Å; L49-T52 WeakPolarHBondContact CA-OG1 3.45Å; L49-T52 PolarHBondContact O-N 2.83Å; L49-T52 PolarHBondContact O-OG1 3.1Å; L49-G53 PolarHBondContact O-N 2.86Å; L49-A54 HydrophobicContact CB-CB 4.05Å; L49-A54 WeakPolarHBondContact O-CB 3.45Å; L49-A54 PolarHBondContact O-N 3.4Å |
| 50 | L | 86.5 | Confident | 86.2 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.7 | -66 | 171.7 | 0 | 0 | 0 | 111.7 | L46 L47 W48 T52 G53 A54 A56 V81 L82 S85 | L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 4.16Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.46Å; L47-L50 PolarHBondContact O-N 3.33Å; W48-L50 PolarHBondContact O-N 2.94Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 3.37Å; L50-G53 PolarHBondContact O-N 3.36Å; L50-A54 HydrophobicContact CD2-CB 4.46Å; L50-A56 HydrophobicContact CD2-CB 3.57Å; L50-V81 HydrophobicContact CD1-CG1 3.91Å; L50-L82 HydrophobicContact CD1-CD2 3.88Å; L50-S85 VanDerWaalsContact CD1-OG 3.31Å; L50-S85 WeakPolarHBondContact CD1-OG 3.29Å |
| 51 | Q | 85.5 | Confident | 86.6 | Confident | 145 Ų | 145 | 47.3 Ų | 47.3 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.4 | -28.3 | 174.9 | -74.2 | 178.7 | -12.8 | 0 | 0 | 113.3 | L47 W48 L49 G53 | L47-Q51 HydrophobicContact CD1-CG 4.38Å; L47-Q51 WeakPolarHBondContact O-CB 3.49Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 2.9Å; W48-Q51 PolarHBondContact O-N 3.04Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.39Å; Q51-G53 VanDerWaalsContact C-N 3.26Å |
| 52 | T | 82.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 36% | 0.356 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.5 | 176.5 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | W48 L49 L50 | W48-T52 HydrophobicContact CD2-CG2 4Å; W48-T52 HydrophobicContact CE3-CG2 4.01Å; W48-T52 HydrophobicContact CH2-CG2 3.71Å; W48-T52 HydrophobicContact CZ2-CG2 3.7Å; W48-T52 HydrophobicContact CZ3-CG2 3.87Å; W48-T52 WeakPolarHBondContact O-CG2 3.22Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 2.82Å; L49-T52 VanDerWaalsContact CA-OG1 3.32Å; L49-T52 WeakPolarHBondContact CA-OG1 3.45Å; L49-T52 PolarHBondContact O-N 2.83Å; L49-T52 PolarHBondContact O-OG1 3.1Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 3.37Å |
| 53 | G | 82.4 | Confident | 87.1 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | 19.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | N24 L49 L50 Q51 | N24-G53 PolarHBondContact ND2-O 3.07Å; L49-G53 PolarHBondContact O-N 2.86Å; L50-G53 PolarHBondContact O-N 3.36Å; Q51-G53 VanDerWaalsContact C-N 3.26Å |
| 54 | A | 86.1 | Confident | 87.4 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | trans | -64.7 | 140.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V23 N24 A34 L49 L50 A56 | V23-A54 HydrophobicContact CB-CB 4.37Å; N24-A54 VanDerWaalsContact OD1-CA 3.32Å; N24-A54 WeakPolarHBondContact OD1-CA 3.28Å; A34-A54 HydrophobicContact CB-CB 4.45Å; L49-A54 HydrophobicContact CB-CB 4.05Å; L49-A54 WeakPolarHBondContact O-CB 3.45Å; L49-A54 PolarHBondContact O-N 3.4Å; L50-A54 HydrophobicContact CD2-CB 4.46Å; A54-A56 PolarHBondContact O-N 2.87Å | ||
| 55 | D | 86.2 | Confident | 87.8 | Confident | 77 Ų | 77 | 43 Ų | 43 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | trans | -79.7 | 112.7 | 177.2 | -177.7 | 2.5 | 0 | 0 | 0 | 111 | N24 N57 Q58 | N24-D55 PolarHBondContact OD1-N 2.91Å; D55-N57 PolarHBondContact O-N 2.89Å; D55-N57 WeakPolarHBondContact OD1-CA 3.39Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 3.38Å; D55-Q58 HydrophobicContact CB-CB 4.07Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.31Å | ||
| 56 | A | 88.3 | Confident | 88.3 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L50 A54 P66 L82 A87 | L50-A56 HydrophobicContact CD2-CB 3.57Å; A54-A56 PolarHBondContact O-N 2.87Å; A56-P66 WeakPolarHBondContact O-CD 3.31Å; A56-L82 HydrophobicContact CB-CD2 4.15Å; A56-A87 HydrophobicContact CB-CB 3.96Å |
| 57 | N | 89.7 | Confident | 88.6 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 2 | -175.9 | -57.1 | -57.2 | 0 | 0 | 0 | 113 | D55 Q59 Q88 L91 | D55-N57 PolarHBondContact O-N 2.89Å; D55-N57 WeakPolarHBondContact OD1-CA 3.39Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 3.38Å; N57-Q59 PolarHBondContact O-N 3.06Å; N57-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N57-Q88 PolarHBondContact OD1-N 3.47Å; N57-L91 HydrophobicContact CB-CD1 4.09Å |
| 58 | Q | 88.9 | Confident | 88.9 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | trans | -55 | 135.1 | 176.2 | -172.1 | 171.9 | 9.7 | 0 | 0 | 109.4 | N24 S32 H35 D55 T65 P66 | N24-Q58 PolarHBondContact O-NE2 3.36Å; S32-Q58 PolarHBondContact OG-OE1 3.38Å; H35-Q58 PolarHBondContact CE1-O 2.97Å; H35-Q58 PolarHBondContact NE2-O 3.32Å; H35-Q58 VanDerWaalsContact NE2-O 3.08Å; D55-Q58 HydrophobicContact CB-CB 4.07Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.31Å; Q58-T65 WeakPolarHBondContact O-CA 3.42Å; Q58-P66 VanDerWaalsContact O-CD 3.31Å; Q58-P66 WeakPolarHBondContact O-CD 3.5Å | ||
| 59 | Q | 91.8 | Very high | 89.3 | Confident | 96 Ų | 96 | 37.3 Ų | 37.3 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | trans | -101.3 | 138.3 | 177.1 | -70.8 | -177 | -61.8 | 0 | 0 | 110.2 | N57 G63 E64 T65 C92 | N57-Q59 PolarHBondContact O-N 3.06Å; Q59-G63 PolarHBondContact NE2-O 2.95Å; Q59-E64 WeakPolarHBondContact CA-O 3.43Å; Q59-T65 HydrophobicContact CG-CG2 3.76Å; Q59-C92 PolarHBondContact NE2-O 2.89Å | ||
| 60 | D | 91.1 | Very high | 89.6 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | trans | -77.3 | -178.1 | 168.5 | 76.9 | 6.3 | 0 | 0 | 0 | 111.9 | G30 Q31 N62 G63 E64 K69 | G30-D60 WeakPolarHBondContact O-CA 3.45Å; Q31-D60 HydrophobicContact CG-CB 3.94Å; D60-N62 PolarHBondContact O-N 3.17Å; D60-N62 WeakPolarHBondContact OD1-CA 3.32Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.18Å; D60-G63 PolarHBondContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.08Å; D60-E64 PolarHBondContact N-O 3.49Å; D60-E64 WeakPolarHBondContact OD1-CB 3.07Å; D60-E64 PolarHBondContact OD1-N 3.35Å; D60-K69 WeakPolarHBondContact OD2-CE 3.38Å; D60-K69 IonicContact OD2-NZ 2.82Å; D60-K69 PolarHBondContact OD2-NZ 3.39Å | ||
| 61 | N | 91.6 | Very high | 89.8 | Confident | 102 Ų | 102 | 36.1 Ų | 36.1 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.1 | -178.9 | -68.7 | -8.4 | 0 | 0 | 0 | 113.5 | V28 L29 G30 G63 N94 | V28-N61 PolarHBondContact O-ND2 2.82Å; L29-N61 VanDerWaalsContact O-CB 3.29Å; L29-N61 WeakPolarHBondContact O-CB 3.32Å; L29-N61 PolarHBondContact O-N 2.92Å; L29-N61 PolarHBondContact O-ND2 3.28Å; G30-N61 WeakPolarHBondContact CA-OD1 3.24Å; N61-G63 VanDerWaalsContact C-N 3.34Å; N61-N94 PolarHBondContact O-ND2 3.02Å; N61-N94 VanDerWaalsContact O-ND2 3.1Å |
| 62 | N | 89.4 | Confident | 90 | Very high | 95 Ų | 95 | 31.5 Ų | 31.5 | 51% | 0.508 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6 | 176.4 | -62.9 | -19 | 0 | 0 | 0 | 112.2 | D60 E64 N94 | D60-N62 PolarHBondContact O-N 3.17Å; D60-N62 WeakPolarHBondContact OD1-CA 3.32Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.18Å; N62-E64 HydrophobicContact CB-CG 3.94Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-N94 WeakPolarHBondContact CA-ND2 3.46Å; N62-N94 VanDerWaalsContact O-CB 3.28Å; N62-N94 WeakPolarHBondContact O-CB 3.06Å; N62-N94 PolarHBondContact O-N 3.06Å; N62-N94 PolarHBondContact O-ND2 2.61Å |
| 63 | G | 91.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 73.6 | 9.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q59 D60 N61 N93 N94 | Q59-G63 PolarHBondContact NE2-O 2.95Å; D60-G63 PolarHBondContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.08Å; N61-G63 VanDerWaalsContact C-N 3.34Å; G63-N93 WeakPolarHBondContact O-CA 3.16Å; G63-N94 WeakPolarHBondContact CA-OD1 3.22Å |
| 64 | E | 92.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | trans | -83.8 | 132.9 | -176.8 | -58.2 | -166.2 | 147.8 | 0 | 0 | 109.8 | H35 Q59 D60 N62 H68 K69 K72 N93 | H35-E64 PolarHBondContact CD2-O 2.82Å; H35-E64 PolarHBondContact NE2-O 3.13Å; Q59-E64 WeakPolarHBondContact CA-O 3.43Å; D60-E64 PolarHBondContact N-O 3.49Å; D60-E64 WeakPolarHBondContact OD1-CB 3.07Å; D60-E64 PolarHBondContact OD1-N 3.35Å; N62-E64 HydrophobicContact CB-CG 3.94Å; N62-E64 PolarHBondContact O-N 3.41Å; E64-H68 HydrophobicContact CB-CB 3.91Å; E64-H68 HydrophobicContact CG-CB 4.38Å; E64-K69 WeakPolarHBondContact OE2-CE 3.24Å; E64-K69 IonicContact OE2-NZ 2.61Å; E64-K69 PolarHBondContact OE2-NZ 3.47Å; E64-K72 VanDerWaalsContact OE1-CE 3.22Å; E64-K72 WeakPolarHBondContact OE1-CE 3.37Å; E64-K72 IonicContact OE1-NZ 3.07Å; E64-K72 PolarHBondContact OE1-NZ 3.22Å; E64-K72 IonicContact OE2-NZ 3.43Å; E64-K72 PolarHBondContact OE2-NZ 3.08Å; E64-N93 HydrophobicContact CG-CB 3.83Å; E64-N93 PolarHBondContact OE1-ND2 3.1Å | ||
| 65 | T | 93.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -90.1 | 168.6 | 172.7 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | Q58 Q59 M67 H68 K69 L91 | Q58-T65 WeakPolarHBondContact O-CA 3.42Å; Q59-T65 HydrophobicContact CG-CG2 3.76Å; T65-M67 PolarHBondContact O-N 2.93Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-M67 PolarHBondContact OG1-N 3.34Å; T65-H68 PolarHBondContact N-ND1 3.45Å; T65-H68 VanDerWaalsContact N-ND1 3.13Å; T65-H68 WeakPolarHBondContact O-CB 3.29Å; T65-H68 PolarHBondContact O-N 2.88Å; T65-H68 PolarHBondContact OG1-ND1 3.35Å; T65-K69 PolarHBondContact O-N 3.49Å; T65-L91 HydrophobicContact CG2-CB 4.24Å; T65-L91 HydrophobicContact CG2-CD1 3.71Å | ||
| 66 | P | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51 | -33.8 | 171 | -29 | 36 | 0 | 0 | 0 | 112.9 | A34 A38 A56 Q58 K69 A70 L82 | A34-P66 HydrophobicContact CB-CB 4.38Å; A34-P66 HydrophobicContact CB-CG 3.88Å; A38-P66 HydrophobicContact CB-CB 4.19Å; A38-P66 VanDerWaalsContact CB-O 3.24Å; A38-P66 WeakPolarHBondContact CB-O 3.38Å; A56-P66 WeakPolarHBondContact O-CD 3.31Å; Q58-P66 VanDerWaalsContact O-CD 3.31Å; Q58-P66 WeakPolarHBondContact O-CD 3.5Å; P66-K69 PolarHBondContact O-N 2.76Å; P66-A70 PolarHBondContact O-N 2.91Å; P66-L82 HydrophobicContact CB-CD1 4.21Å; P66-L82 HydrophobicContact CB-CD2 3.94Å |
| 67 | M | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 176.2 | -173.2 | 159.6 | -81.9 | 0 | 0 | 113.6 | T65 K69 A70 A71 I79 L82 V83 A87 L89 A99 L115 | T65-M67 PolarHBondContact O-N 2.93Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-M67 PolarHBondContact OG1-N 3.34Å; M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.24Å; M67-A70 PolarHBondContact O-N 3Å; M67-A71 VanDerWaalsContact O-CB 3.32Å; M67-A71 WeakPolarHBondContact O-CB 3.46Å; M67-A71 PolarHBondContact O-N 2.91Å; M67-I79 HydrophobicContact CE-CG2 4.47Å; M67-L82 HydrophobicContact CB-CD1 4.01Å; M67-L82 HydrophobicContact CE-CB 3.58Å; M67-L82 HydrophobicContact CE-CD1 4.33Å; M67-V83 HydrophobicContact CE-CG2 3.9Å; M67-A87 HydrophobicContact CE-CB 4.15Å; M67-L89 HydrophobicContact CE-CD2 3.4Å; M67-L89 VanDerWaalsContact CE-CD2 3.4Å; M67-L89 HydrophobicContact SD-CB 4.42Å; M67-L89 HydrophobicContact SD-CD2 3.23Å; M67-L89 WeakPolarHBondContact SD-CD2 2.9Å; M67-L89 HydrophobicContact SD-CG 4.4Å; M67-A99 HydrophobicContact CB-CB 4.45Å; M67-A99 HydrophobicContact CG-CB 3.73Å; M67-L115 HydrophobicContact CE-CD2 4.31Å; M67-L115 HydrophobicContact CG-CD2 4.37Å; M67-L115 HydrophobicContact SD-CD2 3.81Å |
| 68 | H | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 173.5 | -65.9 | 83.1 | 0 | 0 | 0 | 110.6 | E64 T65 A71 K72 L91 N93 R97 L102 | E64-H68 HydrophobicContact CB-CB 3.91Å; E64-H68 HydrophobicContact CG-CB 4.38Å; T65-H68 PolarHBondContact N-ND1 3.45Å; T65-H68 VanDerWaalsContact N-ND1 3.13Å; T65-H68 WeakPolarHBondContact O-CB 3.29Å; T65-H68 PolarHBondContact O-N 2.88Å; T65-H68 PolarHBondContact OG1-ND1 3.35Å; H68-A71 PolarHBondContact O-N 3.08Å; H68-K72 WeakPolarHBondContact O-CG 3.47Å; H68-K72 PolarHBondContact O-N 2.9Å; H68-L91 PolarHBondContact CE1-O 3.45Å; H68-L91 PolarHBondContact NE2-O 3.3Å; H68-N93 PolarHBondContact NE2-N 3.32Å; H68-R97 PolarHBondContact NE2-O 2.85Å; H68-L102 HydrophobicContact CB-CD1 3.82Å; H68-L102 VanDerWaalsContact CD2-CD1 3.5Å; H68-L102 WeakPolarHBondContact CD2-CD1 3.31Å |
| 69 | K | 92.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.7 | -59 | -61 | -177.7 | -171.2 | 0 | 111.9 | H35 A38 C39 D60 E64 T65 P66 M67 A71 K72 A73 | H35-K69 HydrophobicContact CB-CG 4.29Å; A38-K69 HydrophobicContact CB-CB 4.14Å; C39-K69 HydrophobicContact CB-CB 4.13Å; D60-K69 WeakPolarHBondContact OD2-CE 3.38Å; D60-K69 IonicContact OD2-NZ 2.82Å; D60-K69 PolarHBondContact OD2-NZ 3.39Å; E64-K69 WeakPolarHBondContact OE2-CE 3.24Å; E64-K69 IonicContact OE2-NZ 2.61Å; E64-K69 PolarHBondContact OE2-NZ 3.47Å; T65-K69 PolarHBondContact O-N 3.49Å; P66-K69 PolarHBondContact O-N 2.76Å; M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.24Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.21Å; K69-K72 PolarHBondContact O-N 3.02Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 2.94Å |
| 70 | A | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A38 P66 M67 A73 G74 S75 C78 I79 L82 | A38-A70 HydrophobicContact CB-CB 4.18Å; P66-A70 PolarHBondContact O-N 2.91Å; M67-A70 PolarHBondContact O-N 3Å; A70-A73 PolarHBondContact O-N 3.48Å; A70-G74 PolarHBondContact O-N 2.94Å; A70-S75 PolarHBondContact O-N 2.98Å; A70-S75 VanDerWaalsContact O-N 3.12Å; A70-C78 HydrophobicContact CB-CB 3.71Å; A70-I79 HydrophobicContact CB-CG1 3.91Å; A70-L82 HydrophobicContact CB-CD1 4.14Å |
| 71 | A | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M67 H68 K69 A73 G74 A99 A103 F108 L115 | M67-A71 VanDerWaalsContact O-CB 3.32Å; M67-A71 WeakPolarHBondContact O-CB 3.46Å; M67-A71 PolarHBondContact O-N 2.91Å; H68-A71 PolarHBondContact O-N 3.08Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.21Å; A71-A73 VanDerWaalsContact C-N 3.31Å; A71-G74 PolarHBondContact O-N 3.04Å; A71-A99 HydrophobicContact CB-CB 4.02Å; A71-A99 WeakPolarHBondContact CB-O 3.38Å; A71-A103 HydrophobicContact CB-CB 4.05Å; A71-F108 WeakPolarHBondContact O-CD2 3.46Å; A71-L115 HydrophobicContact CB-CD1 4.23Å |
| 72 | K | 90.2 | Very high | 91 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 21% | 0.213 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68 | -28.8 | 173.6 | -75.1 | -177.3 | 175.8 | -177.5 | 0 | 113.3 | E64 H68 K69 G74 L102 Y106 F108 | E64-K72 VanDerWaalsContact OE1-CE 3.22Å; E64-K72 WeakPolarHBondContact OE1-CE 3.37Å; E64-K72 IonicContact OE1-NZ 3.07Å; E64-K72 PolarHBondContact OE1-NZ 3.22Å; E64-K72 IonicContact OE2-NZ 3.43Å; E64-K72 PolarHBondContact OE2-NZ 3.08Å; H68-K72 WeakPolarHBondContact O-CG 3.47Å; H68-K72 PolarHBondContact O-N 2.9Å; K69-K72 PolarHBondContact O-N 3.02Å; K72-G74 VanDerWaalsContact C-N 3.31Å; K72-L102 HydrophobicContact CD-CD1 4.47Å; K72-L102 HydrophobicContact CG-CB 4.41Å; K72-L102 HydrophobicContact CG-CD1 4.24Å; K72-Y106 HydrophobicContact CD-CE2 4.17Å; K72-Y106 HydrophobicContact CG-CD2 4.16Å; K72-Y106 HydrophobicContact CG-CE2 3.8Å; K72-F108 WeakPolarHBondContact O-CE2 3.35Å |
| 73 | A | 88.4 | Confident | 91 | Very high | 39 Ų | 39 | 21.4 Ų | 21.4 | 32% | 0.322 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -80.5 | -14 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | C39 K69 A70 A71 S75 | C39-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 2.94Å; A70-A73 PolarHBondContact O-N 3.48Å; A71-A73 VanDerWaalsContact C-N 3.31Å; A73-S75 VanDerWaalsContact C-N 3.25Å; A73-S75 PolarHBondContact O-N 3.33Å |
| 74 | G | 89.4 | Confident | 90.8 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 22.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A70 A71 K72 L76 C111 | A70-G74 PolarHBondContact O-N 2.94Å; A71-G74 PolarHBondContact O-N 3.04Å; K72-G74 VanDerWaalsContact C-N 3.31Å; G74-L76 PolarHBondContact O-N 3.27Å; G74-C111 PolarHBondContact O-SG 3.46Å; G74-C111 VanDerWaalsContact O-SG 3.35Å |
| 75 | S | 88.9 | Confident | 90.5 | Very high | 16 Ų | 16 | 27 Ų | 27 | 11% | 0.112 | 17% | 0.17 | C | C | . | . | trans | -91.7 | 99.1 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | A70 A73 E77 C78 I79 | A70-S75 PolarHBondContact O-N 2.98Å; A70-S75 VanDerWaalsContact O-N 3.12Å; A73-S75 VanDerWaalsContact C-N 3.25Å; A73-S75 PolarHBondContact O-N 3.33Å; S75-E77 PolarHBondContact O-N 3.41Å; S75-C78 PolarHBondContact O-N 2.86Å; S75-C78 PolarHBondContact OG-N 3.36Å; S75-C78 PolarHBondContact OG-SG 2.87Å; S75-C78 VanDerWaalsContact OG-SG 3.33Å; S75-I79 WeakPolarHBondContact O-CG1 3.37Å; S75-I79 PolarHBondContact O-N 2.97Å; S75-I79 VanDerWaalsContact O-N 3.14Å | ||
| 76 | L | 89.3 | Confident | 90.1 | Very high | 66 Ų | 66 | 32 Ų | 32 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 174.1 | -76.7 | 173.5 | 0 | 0 | 0 | 112.8 | G74 I79 S80 E110 C111 F114 | G74-L76 PolarHBondContact O-N 3.27Å; L76-I79 PolarHBondContact O-N 3.24Å; L76-S80 PolarHBondContact O-N 3.26Å; L76-E110 HydrophobicContact CD1-CB 4.42Å; L76-C111 HydrophobicContact CD2-CB 4.32Å; L76-F114 HydrophobicContact CD2-CB 3.85Å; L76-F114 HydrophobicContact CD2-CD1 4.02Å; L76-F114 HydrophobicContact CD2-CG 4.01Å |
| 77 | E | 89.8 | Confident | 89.8 | Confident | 116 Ų | 116 | 32 Ų | 32 | 54% | 0.542 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 179.1 | -64.9 | 175.8 | 165 | 0 | 0 | 111.8 | A43 S75 I79 S80 V81 | A43-E77 HydrophobicContact CB-CB 3.64Å; S75-E77 PolarHBondContact O-N 3.41Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-S80 PolarHBondContact O-N 3.49Å; E77-S80 PolarHBondContact O-OG 3.34Å; E77-V81 WeakPolarHBondContact O-CG2 3.4Å; E77-V81 PolarHBondContact O-N 2.95Å; E77-V81 VanDerWaalsContact O-N 3.1Å |
| 78 | C | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.3 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | G41 L46 A70 S75 V81 L82 | G41-C78 VanDerWaalsContact CA-SG 3.55Å; L46-C78 HydrophobicContact CD2-CB 3.84Å; A70-C78 HydrophobicContact CB-CB 3.71Å; S75-C78 PolarHBondContact O-N 2.86Å; S75-C78 PolarHBondContact OG-N 3.36Å; S75-C78 PolarHBondContact OG-SG 2.87Å; S75-C78 VanDerWaalsContact OG-SG 3.33Å; C78-V81 PolarHBondContact O-N 2.88Å; C78-L82 WeakPolarHBondContact O-CG 3.46Å; C78-L82 PolarHBondContact O-N 3.48Å |
| 79 | I | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.9 | -66.6 | 167.4 | 0 | 0 | 0 | 110.4 | M67 A70 S75 L76 E77 V81 L82 V83 C111 F114 L115 | M67-I79 HydrophobicContact CE-CG2 4.47Å; A70-I79 HydrophobicContact CB-CG1 3.91Å; S75-I79 WeakPolarHBondContact O-CG1 3.37Å; S75-I79 PolarHBondContact O-N 2.97Å; S75-I79 VanDerWaalsContact O-N 3.14Å; L76-I79 PolarHBondContact O-N 3.24Å; E77-I79 VanDerWaalsContact C-N 3.32Å; I79-V81 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.14Å; I79-V83 HydrophobicContact CG2-CG2 4.12Å; I79-V83 WeakPolarHBondContact O-CB 3.41Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.32Å; I79-C111 HydrophobicContact CD1-CB 3.8Å; I79-F114 HydrophobicContact CG2-CD1 3.84Å; I79-F114 HydrophobicContact CG2-CE1 3.95Å; I79-L115 HydrophobicContact CD1-CD1 4.14Å; I79-L115 HydrophobicContact CD1-CG 4.32Å; I79-L115 HydrophobicContact CG2-CD2 3.58Å; I79-L115 HydrophobicContact CG2-CG 4.12Å |
| 80 | S | 90.1 | Very high | 88.5 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -39.7 | -179.8 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | L76 E77 V83 A84 | L76-S80 PolarHBondContact O-N 3.26Å; E77-S80 PolarHBondContact O-N 3.49Å; E77-S80 PolarHBondContact O-OG 3.34Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 3.12Å |
| 81 | V | 90.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.3 | 166 | 0 | 0 | 0 | 0 | 111.9 | A43 L46 L47 L50 E77 C78 I79 A84 S85 | A43-V81 HydrophobicContact CB-CG2 4.12Å; L46-V81 HydrophobicContact CB-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG1 4.36Å; L46-V81 HydrophobicContact CG-CG1 4.14Å; L47-V81 HydrophobicContact CB-CG1 3.75Å; L47-V81 HydrophobicContact CB-CG2 4.28Å; L47-V81 HydrophobicContact CD1-CG1 4.08Å; L50-V81 HydrophobicContact CD1-CG1 3.91Å; E77-V81 WeakPolarHBondContact O-CG2 3.4Å; E77-V81 PolarHBondContact O-N 2.95Å; E77-V81 VanDerWaalsContact O-N 3.1Å; C78-V81 PolarHBondContact O-N 2.88Å; I79-V81 PolarHBondContact O-N 2.99Å; V81-A84 PolarHBondContact O-N 3.48Å; V81-S85 PolarHBondContact O-N 3.29Å; V81-S85 PolarHBondContact O-OG 3.24Å |
| 82 | L | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.4 | -73 | 164.3 | 0 | 0 | 0 | 111.8 | L46 L50 A56 P66 M67 A70 C78 I79 S85 D86 A87 | L46-L82 HydrophobicContact CD1-CD2 4.38Å; L46-L82 HydrophobicContact CD2-CD1 4.02Å; L46-L82 HydrophobicContact CD2-CD2 4.19Å; L46-L82 HydrophobicContact CD2-CG 3.79Å; L46-L82 HydrophobicContact CG-CD2 4.5Å; L50-L82 HydrophobicContact CD1-CD2 3.88Å; A56-L82 HydrophobicContact CB-CD2 4.15Å; P66-L82 HydrophobicContact CB-CD1 4.21Å; P66-L82 HydrophobicContact CB-CD2 3.94Å; M67-L82 HydrophobicContact CB-CD1 4.01Å; M67-L82 HydrophobicContact CE-CB 3.58Å; M67-L82 HydrophobicContact CE-CD1 4.33Å; A70-L82 HydrophobicContact CB-CD1 4.14Å; C78-L82 WeakPolarHBondContact O-CG 3.46Å; C78-L82 PolarHBondContact O-N 3.48Å; I79-L82 PolarHBondContact O-N 3.14Å; L82-S85 CarbonylContact O-C 3.45Å; L82-S85 PolarHBondContact O-N 3.03Å; L82-S85 VanDerWaalsContact O-N 3.15Å; L82-D86 PolarHBondContact O-N 3.05Å; L82-A87 HydrophobicContact CB-CB 3.91Å; L82-A87 HydrophobicContact CD2-CB 4.39Å; L82-A87 WeakPolarHBondContact O-CB 3.39Å; L82-A87 PolarHBondContact O-N 2.99Å |
| 83 | V | 89.3 | Confident | 88.2 | Confident | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | M67 I79 S80 S85 D86 L89 L118 | M67-V83 HydrophobicContact CE-CG2 3.9Å; I79-V83 HydrophobicContact CG2-CG2 4.12Å; I79-V83 WeakPolarHBondContact O-CB 3.41Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.32Å; S80-V83 PolarHBondContact O-N 3.45Å; V83-S85 PolarHBondContact O-N 3.35Å; V83-D86 PolarHBondContact O-N 3.25Å; V83-D86 VanDerWaalsContact O-N 3.12Å; V83-L89 HydrophobicContact CG2-CD2 3.93Å; V83-L118 HydrophobicContact CB-CD1 4.29Å; V83-L118 HydrophobicContact CG1-CD1 3.97Å; V83-L118 HydrophobicContact CG1-CD2 4.33Å; V83-L118 HydrophobicContact CG2-CD1 3.46Å; V83-L118 VanDerWaalsContact CG2-CD1 3.46Å |
| 84 | A | 88.2 | Confident | 88.4 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.6 | -24.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S80 V81 D86 | S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 3.12Å; V81-A84 PolarHBondContact O-N 3.48Å; A84-D86 VanDerWaalsContact C-N 3.31Å |
| 85 | S | 86.1 | Confident | 88.3 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 18 | 176.1 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | L50 V81 L82 V83 A87 | L50-S85 VanDerWaalsContact CD1-OG 3.31Å; L50-S85 WeakPolarHBondContact CD1-OG 3.29Å; V81-S85 PolarHBondContact O-N 3.29Å; V81-S85 PolarHBondContact O-OG 3.24Å; L82-S85 CarbonylContact O-C 3.45Å; L82-S85 PolarHBondContact O-N 3.03Å; L82-S85 VanDerWaalsContact O-N 3.15Å; V83-S85 PolarHBondContact O-N 3.35Å; S85-A87 VanDerWaalsContact C-N 3.25Å; S85-A87 PolarHBondContact O-N 3.41Å |
| 86 | D | 83.9 | Confident | 88.3 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 30 | 178.6 | -91.8 | -60.3 | 0 | 0 | 0 | 115.1 | L82 V83 A84 R122 | L82-D86 PolarHBondContact O-N 3.05Å; V83-D86 PolarHBondContact O-N 3.25Å; V83-D86 VanDerWaalsContact O-N 3.12Å; A84-D86 VanDerWaalsContact C-N 3.31Å; D86-R122 IonicContact OD1-CZ 3.78Å; D86-R122 IonicContact OD1-NH2 2.76Å; D86-R122 PolarHBondContact OD1-NH2 3.37Å |
| 87 | A | 87.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | trans | -58.7 | 144.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A56 M67 L82 S85 L89 | A56-A87 HydrophobicContact CB-CB 3.96Å; M67-A87 HydrophobicContact CE-CB 4.15Å; L82-A87 HydrophobicContact CB-CB 3.91Å; L82-A87 HydrophobicContact CD2-CB 4.39Å; L82-A87 WeakPolarHBondContact O-CB 3.39Å; L82-A87 PolarHBondContact O-N 2.99Å; S85-A87 VanDerWaalsContact C-N 3.25Å; S85-A87 PolarHBondContact O-N 3.41Å; A87-L89 PolarHBondContact O-N 3.28Å | ||
| 88 | Q | 85.5 | Confident | 88.4 | Confident | 104 Ų | 104 | 47.5 Ų | 47.5 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -78.7 | 109.9 | -179.5 | -64.4 | -179 | 13.6 | 0 | 0 | 110.5 | N57 G90 L91 | N57-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N57-Q88 PolarHBondContact OD1-N 3.47Å; Q88-G90 VanDerWaalsContact C-N 3.29Å; Q88-G90 PolarHBondContact O-N 2.88Å; Q88-L91 HydrophobicContact CB-CD1 3.74Å; Q88-L91 HydrophobicContact CB-CG 3.77Å | ||
| 89 | L | 83.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.3 | -179.6 | -45.8 | -177.5 | 0 | 0 | 0 | 113.3 | M67 V83 A87 L115 L118 | M67-L89 HydrophobicContact CE-CD2 3.4Å; M67-L89 VanDerWaalsContact CE-CD2 3.4Å; M67-L89 HydrophobicContact SD-CB 4.42Å; M67-L89 HydrophobicContact SD-CD2 3.23Å; M67-L89 WeakPolarHBondContact SD-CD2 2.9Å; M67-L89 HydrophobicContact SD-CG 4.4Å; V83-L89 HydrophobicContact CG2-CD2 3.93Å; A87-L89 PolarHBondContact O-N 3.28Å; L89-L115 HydrophobicContact CD2-CD2 4.38Å; L89-L118 HydrophobicContact CD1-CB 3.85Å |
| 90 | G | 82.8 | Confident | 88.3 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q88 | Q88-G90 VanDerWaalsContact C-N 3.29Å; Q88-G90 PolarHBondContact O-N 2.88Å |
| 91 | L | 87.2 | Confident | 88.2 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | trans | -71.5 | 139.8 | 177.1 | -69.3 | 174.7 | 0 | 0 | 0 | 110.2 | N57 T65 H68 Q88 | N57-L91 HydrophobicContact CB-CD1 4.09Å; T65-L91 HydrophobicContact CG2-CB 4.24Å; T65-L91 HydrophobicContact CG2-CD1 3.71Å; H68-L91 PolarHBondContact CE1-O 3.45Å; H68-L91 PolarHBondContact NE2-O 3.3Å; Q88-L91 HydrophobicContact CB-CD1 3.74Å; Q88-L91 HydrophobicContact CB-CG 3.77Å | ||
| 92 | C | 90.5 | Very high | 88.2 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -105 | 146.5 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 110 | Q59 R97 | Q59-C92 PolarHBondContact NE2-O 2.89Å; C92-R97 WeakPolarHBondContact CA-O 3.45Å |
| 93 | N | 90.6 | Very high | 88.2 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | trans | -75.3 | -179.5 | 167.7 | 77.1 | -6.2 | 0 | 0 | 0 | 111.9 | G63 E64 H68 E95 G96 R97 | G63-N93 WeakPolarHBondContact O-CA 3.16Å; E64-N93 HydrophobicContact CG-CB 3.83Å; E64-N93 PolarHBondContact OE1-ND2 3.1Å; H68-N93 PolarHBondContact NE2-N 3.32Å; N93-E95 PolarHBondContact ND2-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.43Å; N93-E95 WeakPolarHBondContact OD1-CB 3.34Å; N93-E95 PolarHBondContact OD1-N 2.84Å; N93-G96 PolarHBondContact O-N 3.43Å; N93-G96 PolarHBondContact OD1-N 2.88Å; N93-R97 PolarHBondContact N-O 3.36Å; N93-R97 PolarHBondContact OD1-N 3.24Å; N93-R97 PolarHBondContact OD1-O 2.86Å | ||
| 94 | N | 91.2 | Very high | 88.2 | Confident | 117 Ų | 117 | 52.5 Ų | 52.5 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.1 | -179.4 | -70.8 | -8.9 | 0 | 0 | 0 | 114.1 | N61 N62 G63 G96 | N61-N94 PolarHBondContact O-ND2 3.02Å; N61-N94 VanDerWaalsContact O-ND2 3.1Å; N62-N94 WeakPolarHBondContact CA-ND2 3.46Å; N62-N94 VanDerWaalsContact O-CB 3.28Å; N62-N94 WeakPolarHBondContact O-CB 3.06Å; N62-N94 PolarHBondContact O-N 3.06Å; N62-N94 PolarHBondContact O-ND2 2.61Å; G63-N94 WeakPolarHBondContact CA-OD1 3.22Å; N94-G96 VanDerWaalsContact C-N 3.32Å |
| 95 | E | 87.9 | Confident | 88.4 | Confident | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.1 | 175.9 | -56.3 | 162.5 | 141.6 | 0 | 0 | 112 | N93 R97 | N93-E95 PolarHBondContact ND2-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.43Å; N93-E95 WeakPolarHBondContact OD1-CB 3.34Å; N93-E95 PolarHBondContact OD1-N 2.84Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 HydrophobicContact CB-CG 4.2Å; E95-R97 PolarHBondContact O-N 3.17Å; E95-R97 IonicContact OE1-NH2 3.65Å; E95-R97 PolarHBondContact OE1-NH2 2.73Å; E95-R97 IonicContact OE2-CZ 2.55Å; E95-R97 IonicContact OE2-NE 3.49Å; E95-R97 PolarHBondContact OE2-NE 2.93Å; E95-R97 IonicContact OE2-NH2 2.82Å; E95-R97 PolarHBondContact OE2-NH2 2.71Å |
| 96 | G | 89.8 | Confident | 88.4 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 77.4 | 9.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N93 N94 | N93-G96 PolarHBondContact O-N 3.43Å; N93-G96 PolarHBondContact OD1-N 2.88Å; N94-G96 VanDerWaalsContact C-N 3.32Å |
| 97 | R | 88.5 | Confident | 88.7 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | trans | -91.3 | 137.4 | -177 | -58.1 | -168.9 | -71.5 | 176.2 | -2.1 | 111.3 | H68 C92 N93 E95 E101 L102 | H68-R97 PolarHBondContact NE2-O 2.85Å; C92-R97 WeakPolarHBondContact CA-O 3.45Å; N93-R97 PolarHBondContact N-O 3.36Å; N93-R97 PolarHBondContact OD1-N 3.24Å; N93-R97 PolarHBondContact OD1-O 2.86Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 HydrophobicContact CB-CG 4.2Å; E95-R97 PolarHBondContact O-N 3.17Å; E95-R97 IonicContact OE1-NH2 3.65Å; E95-R97 PolarHBondContact OE1-NH2 2.73Å; E95-R97 IonicContact OE2-CZ 2.55Å; E95-R97 IonicContact OE2-NE 3.49Å; E95-R97 PolarHBondContact OE2-NE 2.93Å; E95-R97 IonicContact OE2-NH2 2.82Å; E95-R97 PolarHBondContact OE2-NH2 2.71Å; R97-E101 VanDerWaalsContact CA-OE2 3.32Å; R97-E101 WeakPolarHBondContact CA-OE2 3.46Å; R97-L102 HydrophobicContact CB-CD2 4.28Å; R97-L102 HydrophobicContact CB-CG 4.34Å | ||
| 98 | T | 91.3 | Very high | 88.9 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 162.7 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | E100 E101 L102 | T98-E100 PolarHBondContact O-N 2.96Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 PolarHBondContact O-N 2.55Å; T98-E101 WeakPolarHBondContact OG1-CG 3.4Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.11Å; T98-L102 WeakPolarHBondContact O-CG 3.31Å; T98-L102 PolarHBondContact O-N 2.94Å |
| 99 | A | 89.1 | Confident | 89 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.7 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | M67 A71 L102 A103 L115 | M67-A99 HydrophobicContact CB-CB 4.45Å; M67-A99 HydrophobicContact CG-CB 3.73Å; A71-A99 HydrophobicContact CB-CB 4.02Å; A71-A99 WeakPolarHBondContact CB-O 3.38Å; A99-L102 PolarHBondContact O-N 2.91Å; A99-A103 PolarHBondContact O-N 3.33Å; A99-L115 HydrophobicContact CB-CD1 4.15Å |
| 100 | E | 90.1 | Very high | 89.3 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 15% | 0.15 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -51.7 | 174.9 | 179.6 | -174.6 | 161.3 | 0 | 0 | 111.8 | T98 L102 A103 L104 L115 N116 | T98-E100 PolarHBondContact O-N 2.96Å; E100-L102 PolarHBondContact O-N 2.92Å; E100-A103 PolarHBondContact O-N 3.29Å; E100-A103 VanDerWaalsContact O-N 3.16Å; E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.22Å; E100-L104 PolarHBondContact O-N 3.41Å; E100-L115 HydrophobicContact CB-CB 4.13Å; E100-L115 HydrophobicContact CG-CB 4.46Å; E100-N116 VanDerWaalsContact CD-CB 3.42Å; E100-N116 HydrophobicContact CG-CB 4.34Å; E100-N116 WeakPolarHBondContact OE1-CB 3.49Å; E100-N116 PolarHBondContact OE1-ND2 3.07Å; E100-N116 VanDerWaalsContact OE1-ND2 3.07Å; E100-N116 WeakPolarHBondContact OE2-CA 3.25Å |
| 101 | E | 89.4 | Confident | 89.6 | Confident | 100 Ų | 100 | 60.7 Ų | 60.7 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 179.7 | -69 | 164.9 | 157.4 | 0 | 0 | 111.3 | R97 T98 S105 | R97-E101 VanDerWaalsContact CA-OE2 3.32Å; R97-E101 WeakPolarHBondContact CA-OE2 3.46Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 PolarHBondContact O-N 2.55Å; T98-E101 WeakPolarHBondContact OG1-CG 3.4Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.11Å; E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 2.92Å; E101-S105 PolarHBondContact O-OG 3.41Å |
| 102 | L | 89.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -53 | 171.9 | -72.2 | -180 | 0 | 0 | 0 | 111.3 | H68 K72 R97 T98 A99 E100 L104 S105 Y106 | H68-L102 HydrophobicContact CB-CD1 3.82Å; H68-L102 VanDerWaalsContact CD2-CD1 3.5Å; H68-L102 WeakPolarHBondContact CD2-CD1 3.31Å; K72-L102 HydrophobicContact CD-CD1 4.47Å; K72-L102 HydrophobicContact CG-CB 4.41Å; K72-L102 HydrophobicContact CG-CD1 4.24Å; R97-L102 HydrophobicContact CB-CD2 4.28Å; R97-L102 HydrophobicContact CB-CG 4.34Å; T98-L102 WeakPolarHBondContact O-CG 3.31Å; T98-L102 PolarHBondContact O-N 2.94Å; A99-L102 PolarHBondContact O-N 2.91Å; E100-L102 PolarHBondContact O-N 2.92Å; L102-L104 PolarHBondContact O-N 3.24Å; L102-S105 WeakPolarHBondContact CA-OG 3.41Å; L102-S105 PolarHBondContact O-N 2.89Å; L102-S105 PolarHBondContact O-OG 3Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 VanDerWaalsContact O-CD2 3.29Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 PolarHBondContact O-N 3.41Å |
| 103 | A | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.8 | -44.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A71 A99 E100 Y106 G107 F108 C111 | A71-A103 HydrophobicContact CB-CB 4.05Å; A99-A103 PolarHBondContact O-N 3.33Å; E100-A103 PolarHBondContact O-N 3.29Å; E100-A103 VanDerWaalsContact O-N 3.16Å; A103-Y106 PolarHBondContact O-N 3.15Å; A103-G107 PolarHBondContact O-N 3.23Å; A103-F108 HydrophobicContact CB-CB 4.4Å; A103-F108 WeakPolarHBondContact O-CA 3.44Å; A103-F108 PolarHBondContact O-N 3.43Å; A103-C111 HydrophobicContact CB-CB 3.92Å |
| 104 | L | 90.1 | Very high | 89.4 | Confident | 81 Ų | 81 | 67 Ų | 67 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.9 | -64.8 | 176.1 | 0 | 0 | 0 | 112.4 | E100 L102 Y106 G107 | E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.22Å; E100-L104 PolarHBondContact O-N 3.41Å; L102-L104 PolarHBondContact O-N 3.24Å; L104-Y106 VanDerWaalsContact C-N 3.26Å; L104-Y106 PolarHBondContact O-N 3.36Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å |
| 105 | S | 90.5 | Very high | 89.2 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -27.7 | 179.7 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | E101 L102 | E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 2.92Å; E101-S105 PolarHBondContact O-OG 3.41Å; L102-S105 WeakPolarHBondContact CA-OG 3.41Å; L102-S105 PolarHBondContact O-N 2.89Å; L102-S105 PolarHBondContact O-OG 3Å |
| 106 | Y | 87.7 | Confident | 89.1 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.5 | 175.5 | -78.4 | -100 | 0 | 0 | 0 | 113.1 | K72 L102 A103 L104 | K72-Y106 HydrophobicContact CD-CE2 4.17Å; K72-Y106 HydrophobicContact CG-CD2 4.16Å; K72-Y106 HydrophobicContact CG-CE2 3.8Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 VanDerWaalsContact O-CD2 3.29Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 PolarHBondContact O-N 3.41Å; A103-Y106 PolarHBondContact O-N 3.15Å; L104-Y106 VanDerWaalsContact C-N 3.26Å; L104-Y106 PolarHBondContact O-N 3.36Å |
| 107 | G | 89 | Confident | 89 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 8.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A103 L104 E109 | A103-G107 PolarHBondContact O-N 3.23Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å; G107-E109 VanDerWaalsContact C-N 3.26Å; G107-E109 PolarHBondContact O-N 3.26Å |
| 108 | F | 91.3 | Very high | 88.9 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | trans | -84.9 | 67.7 | 175.3 | -57.7 | -63.1 | 0 | 0 | 0 | 110.8 | A71 K72 A103 E110 C111 G112 | A71-F108 WeakPolarHBondContact O-CD2 3.46Å; K72-F108 WeakPolarHBondContact O-CE2 3.35Å; A103-F108 HydrophobicContact CB-CB 4.4Å; A103-F108 WeakPolarHBondContact O-CA 3.44Å; A103-F108 PolarHBondContact O-N 3.43Å; F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.25Å; F108-C111 HydrophobicContact CB-CB 4.08Å; F108-C111 PolarHBondContact O-N 3.16Å; F108-G112 PolarHBondContact O-N 3.43Å | ||
| 109 | E | 89.3 | Confident | 88.4 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.1 | -38.7 | -176.5 | -70.3 | -169.1 | -170.8 | 0 | 0 | 113.2 | G107 G112 R113 | G107-E109 VanDerWaalsContact C-N 3.26Å; G107-E109 PolarHBondContact O-N 3.26Å; E109-G112 PolarHBondContact O-N 3.44Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 WeakPolarHBondContact O-CG 3.4Å; E109-R113 PolarHBondContact O-N 3.19Å; E109-R113 IonicContact OE2-CZ 2.73Å; E109-R113 IonicContact OE2-NH1 2.96Å; E109-R113 IonicContact OE2-NH2 2.71Å; E109-R113 PolarHBondContact OE2-NH2 3.33Å |
| 110 | E | 89.1 | Confident | 87.7 | Confident | 146 Ų | 146 | 66.8 Ų | 66.8 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 179.8 | -64.4 | -163.2 | 128 | 0 | 0 | 111.9 | L76 F108 F114 | L76-E110 HydrophobicContact CD1-CB 4.42Å; F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.25Å; E110-F114 VanDerWaalsContact O-CB 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.32Å; E110-F114 PolarHBondContact O-N 2.88Å |
| 111 | C | 88.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 175.2 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | G74 L76 I79 A103 F108 F114 L115 | G74-C111 PolarHBondContact O-SG 3.46Å; G74-C111 VanDerWaalsContact O-SG 3.35Å; L76-C111 HydrophobicContact CD2-CB 4.32Å; I79-C111 HydrophobicContact CD1-CB 3.8Å; A103-C111 HydrophobicContact CB-CB 3.92Å; F108-C111 HydrophobicContact CB-CB 4.08Å; F108-C111 PolarHBondContact O-N 3.16Å; C111-F114 PolarHBondContact O-N 3.32Å; C111-L115 WeakPolarHBondContact O-CB 3.36Å; C111-L115 WeakPolarHBondContact O-CG 3.24Å; C111-L115 PolarHBondContact O-N 3.03Å |
| 112 | G | 87.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F108 E109 F114 L115 N116 | F108-G112 PolarHBondContact O-N 3.43Å; E109-G112 PolarHBondContact O-N 3.44Å; G112-F114 VanDerWaalsContact C-N 3.3Å; G112-F114 PolarHBondContact O-N 3.43Å; G112-L115 PolarHBondContact O-N 2.91Å; G112-N116 WeakPolarHBondContact O-CB 3.47Å; G112-N116 PolarHBondContact O-N 2.91Å |
| 113 | R | 88.3 | Confident | 84.5 | Confident | 155 Ų | 155 | 73.8 Ų | 73.8 | 59% | 0.585 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.3 | -40.1 | 176.2 | -75.4 | -174.9 | -175.3 | 133 | 16.3 | 112 | E109 N116 T117 | E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 WeakPolarHBondContact O-CG 3.4Å; E109-R113 PolarHBondContact O-N 3.19Å; E109-R113 IonicContact OE2-CZ 2.73Å; E109-R113 IonicContact OE2-NH1 2.96Å; E109-R113 IonicContact OE2-NH2 2.71Å; E109-R113 PolarHBondContact OE2-NH2 3.33Å; R113-N116 PolarHBondContact O-N 3.04Å; R113-T117 WeakPolarHBondContact O-CB 3.48Å; R113-T117 PolarHBondContact O-N 3.03Å; R113-T117 PolarHBondContact O-OG1 3.25Å |
| 114 | F | 89.6 | Confident | 82.8 | Confident | 81 Ų | 81 | 79.5 Ų | 79.5 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 177.9 | -173.5 | -109.8 | 0 | 0 | 0 | 111.5 | L76 I79 E110 C111 G112 N116 T117 L118 | L76-F114 HydrophobicContact CD2-CB 3.85Å; L76-F114 HydrophobicContact CD2-CD1 4.02Å; L76-F114 HydrophobicContact CD2-CG 4.01Å; I79-F114 HydrophobicContact CG2-CD1 3.84Å; I79-F114 HydrophobicContact CG2-CE1 3.95Å; E110-F114 VanDerWaalsContact O-CB 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.32Å; E110-F114 PolarHBondContact O-N 2.88Å; C111-F114 PolarHBondContact O-N 3.32Å; G112-F114 VanDerWaalsContact C-N 3.3Å; G112-F114 PolarHBondContact O-N 3.43Å; F114-N116 VanDerWaalsContact C-N 3.35Å; F114-N116 PolarHBondContact O-N 3.08Å; F114-T117 PolarHBondContact O-N 3.25Å; F114-L118 HydrophobicContact CD1-CD1 3.74Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.4Å; F114-L118 HydrophobicContact CE1-CG 4.22Å; F114-L118 HydrophobicContact CG-CD1 4.47Å; F114-L118 HydrophobicContact CZ-CD1 3.85Å; F114-L118 HydrophobicContact CZ-CD2 4.38Å; F114-L118 HydrophobicContact CZ-CG 4.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 3.36Å |
| 115 | L | 86.9 | Confident | 81 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 176 | -74.7 | 169.1 | 0 | 0 | 0 | 112.3 | M67 A71 I79 L89 A99 E100 C111 G112 L118 R119 | M67-L115 HydrophobicContact CE-CD2 4.31Å; M67-L115 HydrophobicContact CG-CD2 4.37Å; M67-L115 HydrophobicContact SD-CD2 3.81Å; A71-L115 HydrophobicContact CB-CD1 4.23Å; I79-L115 HydrophobicContact CD1-CD1 4.14Å; I79-L115 HydrophobicContact CD1-CG 4.32Å; I79-L115 HydrophobicContact CG2-CD2 3.58Å; I79-L115 HydrophobicContact CG2-CG 4.12Å; L89-L115 HydrophobicContact CD2-CD2 4.38Å; A99-L115 HydrophobicContact CB-CD1 4.15Å; E100-L115 HydrophobicContact CB-CB 4.13Å; E100-L115 HydrophobicContact CG-CB 4.46Å; C111-L115 WeakPolarHBondContact O-CB 3.36Å; C111-L115 WeakPolarHBondContact O-CG 3.24Å; C111-L115 PolarHBondContact O-N 3.03Å; G112-L115 PolarHBondContact O-N 2.91Å; L115-L118 PolarHBondContact O-N 3.08Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 2.94Å |
| 116 | N | 86.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 175.6 | -163 | -8.5 | 0 | 0 | 0 | 111.6 | E100 G112 R113 F114 L118 R119 M120 | E100-N116 VanDerWaalsContact CD-CB 3.42Å; E100-N116 HydrophobicContact CG-CB 4.34Å; E100-N116 WeakPolarHBondContact OE1-CB 3.49Å; E100-N116 PolarHBondContact OE1-ND2 3.07Å; E100-N116 VanDerWaalsContact OE1-ND2 3.07Å; E100-N116 WeakPolarHBondContact OE2-CA 3.25Å; G112-N116 WeakPolarHBondContact O-CB 3.47Å; G112-N116 PolarHBondContact O-N 2.91Å; R113-N116 PolarHBondContact O-N 3.04Å; F114-N116 VanDerWaalsContact C-N 3.35Å; F114-N116 PolarHBondContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.35Å; N116-R119 WeakPolarHBondContact O-CB 3.36Å; N116-R119 PolarHBondContact O-N 2.87Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-M120 WeakPolarHBondContact O-CG 3.3Å; N116-M120 PolarHBondContact O-N 3.3Å |
| 117 | T | 87.7 | Confident | 77.6 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.3 | -58 | 0 | 0 | 0 | 0 | 110.5 | R113 F114 R119 M120 T121 | R113-T117 WeakPolarHBondContact O-CB 3.48Å; R113-T117 PolarHBondContact O-N 3.03Å; R113-T117 PolarHBondContact O-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.25Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.21Å; T117-M120 PolarHBondContact O-N 3.46Å; T117-T121 HydrophobicContact CG2-CG2 4.48Å; T117-T121 WeakPolarHBondContact O-CG2 3.15Å; T117-T121 PolarHBondContact O-N 3.09Å; T117-T121 PolarHBondContact O-OG1 3Å |
| 118 | L | 86 | Confident | 75.6 | Confident | 36 Ų | 36 | 81.2 Ų | 81.2 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.1 | -70.2 | 175.7 | 0 | 0 | 0 | 112.8 | V83 L89 F114 L115 N116 T121 R122 | V83-L118 HydrophobicContact CB-CD1 4.29Å; V83-L118 HydrophobicContact CG1-CD1 3.97Å; V83-L118 HydrophobicContact CG1-CD2 4.33Å; V83-L118 HydrophobicContact CG2-CD1 3.46Å; V83-L118 VanDerWaalsContact CG2-CD1 3.46Å; L89-L118 HydrophobicContact CD1-CB 3.85Å; F114-L118 HydrophobicContact CD1-CD1 3.74Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.4Å; F114-L118 HydrophobicContact CE1-CG 4.22Å; F114-L118 HydrophobicContact CG-CD1 4.47Å; F114-L118 HydrophobicContact CZ-CD1 3.85Å; F114-L118 HydrophobicContact CZ-CD2 4.38Å; F114-L118 HydrophobicContact CZ-CG 4.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.35Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-OG1 2.96Å; L118-R122 WeakPolarHBondContact O-CB 3.21Å; L118-R122 PolarHBondContact O-N 3.25Å; L118-R122 VanDerWaalsContact O-N 3.1Å |
| 119 | R | 80.1 | Confident | 73.6 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 174.9 | -174.2 | 179 | 173.3 | 147.5 | 0.3 | 111 | L115 N116 T117 R122 L123 | L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 2.94Å; N116-R119 WeakPolarHBondContact O-CB 3.36Å; N116-R119 PolarHBondContact O-N 2.87Å; N116-R119 VanDerWaalsContact O-N 3.17Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.21Å; R119-R122 PolarHBondContact O-N 3.42Å; R119-L123 HydrophobicContact CG-CD1 4.45Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.38Å |
| 120 | M | 74.9 | Confident | 71.7 | Confident | 88 Ų | 88 | 84.1 Ų | 84.1 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 177.9 | -68.1 | -57.6 | 122.5 | 0 | 0 | 112.4 | N116 T117 R122 L123 L124 | N116-M120 WeakPolarHBondContact O-CG 3.3Å; N116-M120 PolarHBondContact O-N 3.3Å; T117-M120 PolarHBondContact O-N 3.46Å; M120-R122 PolarHBondContact O-N 3.22Å; M120-L123 HydrophobicContact CE-CD1 4.04Å; M120-L123 PolarHBondContact O-N 3.42Å; M120-L123 HydrophobicContact SD-CD1 4.33Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 2.82Å; M120-L124 PolarHBondContact O-N 3.18Å |
| 121 | T | 73.4 | Confident | 69.2 | Low | 68 Ų | 68 | 85.1 Ų | 85.1 | 42% | 0.417 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | T117 L118 L123 L124 T125 | T117-T121 HydrophobicContact CG2-CG2 4.48Å; T117-T121 WeakPolarHBondContact O-CG2 3.15Å; T117-T121 PolarHBondContact O-N 3.09Å; T117-T121 PolarHBondContact O-OG1 3Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-OG1 2.96Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.47Å; T121-L124 PolarHBondContact O-N 3.07Å; T121-T125 WeakPolarHBondContact O-CG2 3.34Å; T121-T125 PolarHBondContact O-N 3.16Å; T121-T125 PolarHBondContact O-OG1 3.09Å |
| 122 | R | 67.6 | Low | 66.8 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 176.2 | -159.2 | 171.9 | -161.3 | 152.9 | 10.5 | 113.1 | D86 L118 R119 M120 T125 S126 | D86-R122 IonicContact OD1-CZ 3.78Å; D86-R122 IonicContact OD1-NH2 2.76Å; D86-R122 PolarHBondContact OD1-NH2 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.21Å; L118-R122 PolarHBondContact O-N 3.25Å; L118-R122 VanDerWaalsContact O-N 3.1Å; R119-R122 PolarHBondContact O-N 3.42Å; M120-R122 PolarHBondContact O-N 3.22Å; R122-T125 PolarHBondContact O-OG1 3.08Å; R122-T125 VanDerWaalsContact O-OG1 3.06Å; R122-S126 PolarHBondContact O-N 3.13Å |
| 123 | L | 61.3 | Low | 64.7 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 174.1 | -69.7 | 169.6 | 0 | 0 | 0 | 111.8 | R119 M120 T121 S126 | R119-L123 HydrophobicContact CG-CD1 4.45Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.38Å; M120-L123 HydrophobicContact CE-CD1 4.04Å; M120-L123 PolarHBondContact O-N 3.42Å; M120-L123 HydrophobicContact SD-CD1 4.33Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.47Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-S126 PolarHBondContact O-OG 2.97Å |
| 124 | L | 54.5 | Low | 62.7 | Low | 120 Ų | 120 | 94.9 Ų | 94.9 | 63% | 0.628 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.6 | -31.8 | 178.6 | -66.9 | 168.9 | 0 | 0 | 0 | 112.8 | M120 T121 S126 S127 | M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 2.82Å; M120-L124 PolarHBondContact O-N 3.18Å; T121-L124 PolarHBondContact O-N 3.07Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S127 PolarHBondContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.89Å |
| 125 | T | 51.6 | Low | 60 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.4 | -19.8 | 174.1 | 57 | 0 | 0 | 0 | 0 | 113.3 | T121 R122 | T121-T125 WeakPolarHBondContact O-CG2 3.34Å; T121-T125 PolarHBondContact O-N 3.16Å; T121-T125 PolarHBondContact O-OG1 3.09Å; R122-T125 PolarHBondContact O-OG1 3.08Å; R122-T125 VanDerWaalsContact O-OG1 3.06Å |
| 126 | S | 52.7 | Low | 57.6 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.3 | -20.7 | 175.4 | 76.1 | 0 | 0 | 0 | 0 | 113.7 | R122 L123 L124 | R122-S126 PolarHBondContact O-N 3.13Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-S126 PolarHBondContact O-OG 2.97Å; L124-S126 VanDerWaalsContact C-N 3.3Å |
| 127 | S | 54.5 | Low | 55.5 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -101.9 | -3.1 | -179.2 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | L124 | L124-S127 PolarHBondContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.89Å |
| 128 | S | 46.8 | Very low | 52.8 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -149.5 | 123.7 | 173.5 | -83.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 129 | T | 49.4 | Very low | 50.3 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | -43.6 | 151.6 | 168.6 | 40.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 130 | P | 48.8 | Very low | 48.4 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | trans | -83 | 133 | -146.6 | 33.3 | -33.9 | 0 | 0 | 0 | 112.9 | ||||
| 131 | L | 36.8 | Very low | 46.6 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 88% | 0.88 | 71% | 0.711 | S | S | * | * | trans | -107.5 | 101.4 | 142.2 | -88.7 | 98.8 | 0 | 0 | 0 | 107.5 | ||||
| 132 | M | 38.2 | Very low | 44.9 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | trans | -54 | 150.7 | 142.5 | -58.8 | -65.8 | -171.7 | 0 | 0 | 107.2 | ||||
| 133 | P | 42.5 | Very low | 43.6 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | -130.4 | 131.1 | 99.8 | 16.4 | 2.6 | 0 | 0 | 0 | 112.2 | |||||
| 134 | A | 46.4 | Very low | 42.4 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -55.5 | 163.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 135 | E | 34.2 | Very low | 41.4 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 96.8 | 92.6 | 178.4 | -49.9 | -144.1 | 120.4 | 0 | 0 | 113.1 | ||||
| 136 | L | 35.5 | Very low | 40.7 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | 49.7 | 83.5 | 62.3 | -159.4 | 69 | 0 | 0 | 0 | 111.4 | |||||
| 137 | V | 42.3 | Very low | 39.8 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | 25.2 | 101.4 | 136.2 | -173.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 138 | A | 32.1 | Very low | 39 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -148.2 | 98.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 139 | C | 32.5 | Very low | 38.9 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -79.6 | 143.8 | 148.2 | -66.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 140 | P | 41 | Very low | 38.5 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | -139.9 | 158.6 | 51 | 32.2 | -11.1 | 0 | 0 | 0 | 116.4 | T142 | P140-T142 PolarHBondContact O-N 2.78Š| |||
| 141 | L | 37 | Very low | 38 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -56.3 | 124.4 | 160.2 | -72.3 | 152.8 | 0 | 0 | 0 | 110.5 | ||||
| 142 | T | 37.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -156.8 | 133.9 | 144.2 | -14.8 | 0 | 0 | 0 | 0 | 110.3 | P140 | P140-T142 PolarHBondContact O-N 2.78Š| ||
| 143 | D | 40.2 | Very low | 38.4 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -54.3 | 141.4 | -174.4 | -57.2 | -77.2 | 0 | 0 | 0 | 114.9 | ||||
| 144 | A | 35.4 | Very low | 38.4 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -156.7 | 113.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 145 | Q | 34.2 | Very low | 38.3 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -57.5 | 151.1 | 167.9 | -81 | -114.4 | -29.1 | 0 | 0 | 114.3 | ||||
| 146 | S | 36.3 | Very low | 38.8 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 68.4 | 121.6 | 132.2 | -166.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 147 | G | 33.7 | Very low | 39.6 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 147.2 | 103.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 148 | K | 38 | Very low | 39.9 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | 84.8 | 96.3 | 129.3 | -126.5 | 169 | -173 | 174.2 | 0 | 120.9 | |||||
| 149 | V | 45.9 | Very low | 40.4 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | 25.8 | 119.9 | 119.2 | -168.1 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 150 | A | 40 | Very low | 40.9 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | 169.2 | 123.2 | 129.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 151 | G | 38.8 | Very low | 40.9 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 101.9 | 126.2 | 51.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 152 | Q | 40.2 | Very low | 41.3 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | 92.2 | 142.4 | 164 | -54.7 | 173.7 | -18 | 0 | 0 | 117.5 | ||||
| 153 | K | 41.9 | Very low | 41.9 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | cis | -165.4 | 148.7 | -14.3 | -107.6 | 164.5 | -175.4 | -179.8 | 0 | 105.5 | ||||
| 154 | R | 44.3 | Very low | 42.4 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -36 | 145.5 | 167.9 | -72.3 | 161.5 | 120.8 | -178.3 | -1.7 | 114.9 | ||||
| 155 | A | 42.5 | Very low | 43 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 98.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 156 | L | 44.8 | Very low | 43.6 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -78.1 | 127.5 | 154.9 | -78.3 | 151.7 | 0 | 0 | 0 | 106.9 | ||||
| 157 | I | 52.5 | Low | 44 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 110.9 | 147.8 | 38.2 | 172.2 | 0 | 0 | 0 | 109.1 | ||||
| 158 | A | 48.7 | Very low | 44.6 | Very low | 96 Ų | 96 | 151.8 Ų | 151.8 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 135.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 159 | T | 42.6 | Very low | 44.9 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -168 | 138.8 | 153.2 | 5.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 160 | G | 42.9 | Very low | 44.9 | Very low | 71 Ų | 71 | 158 Ų | 158 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 92.4 | 93 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 161 | A | 42.3 | Very low | 45.1 | Very low | 91 Ų | 91 | 161.1 Ų | 161.1 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | 61 | 127.3 | 58.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 162 | Q | 45.6 | Very low | 45.5 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 81.7 | 136.2 | 168.3 | -54.5 | 176 | -63.9 | 0 | 0 | 114.7 | ||||
| 163 | D | 48.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 165.6 Ų | 165.6 | 68% | 0.684 | 83% | 0.831 | S | S | * | * | cis | -155.7 | 140.1 | 33.3 | -156.3 | -27.7 | 0 | 0 | 0 | 111.5 | ||||
| 164 | R | 50.5 | Low | 46 | Very low | 237 Ų | 237 | 164.8 Ų | 164.8 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -90 | 120.6 | 168.8 | -79.8 | 176.5 | 169.9 | 177.2 | -2.6 | 107.1 | ||||
| 165 | K | 49.2 | Very low | 46.1 | Very low | 194 Ų | 194 | 160.9 Ų | 160.9 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -125.7 | 103.1 | 154.3 | -76.4 | -171.4 | -179.5 | 174.4 | 0 | 111.8 | ||||
| 166 | R | 47 | Very low | 46.4 | Very low | 238 Ų | 238 | 164.8 Ų | 164.8 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | -84.5 | 143.7 | 161.3 | -168.8 | 179.8 | -171.6 | -138.6 | 2.6 | 108.1 | ||||
| 167 | A | 44.3 | Very low | 46.5 | Very low | 79 Ų | 79 | 166 Ų | 166 | 65% | 0.653 | 84% | 0.836 | S | S | * | * | trans | 61.2 | 120.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 168 | R | 45.9 | Very low | 46 | Very low | 225 Ų | 225 | 166.2 Ų | 166.2 | 85% | 0.849 | 84% | 0.836 | S | S | * | * | -169.7 | 118.1 | 118.6 | -109.7 | 174.5 | -87.3 | -176.7 | -8.1 | 107.4 | |||||
| 169 | D | 44.7 | Very low | 45.8 | Very low | 151 Ų | 151 | 172.1 Ų | 172.1 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | 59.3 | 97.6 | 91 | -57.4 | -37.3 | 0 | 0 | 0 | 112.2 | |||||
| 170 | W | 45.3 | Very low | 46.1 | Very low | 321 Ų | 321 | 174.7 Ų | 174.7 | 100% | 1.216 | 84% | 0.837 | S | S | * | * | trans | -165.3 | 0 | 135.6 | 125.9 | -89.2 | 0 | 0 | 0 | 107.9 |
Retrieved 170 of 170 residues in 918.5 ms
(Link to these results)