| 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 | 32.9 | Very low | 46.2 | Very low | 212 Ų | 212 | 129.8 Ų | 129.8 | 100% | 1.044 | 67% | 0.665 | S | S | * | * | 0 | 98.7 | 0 | -73.4 | -173.1 | -172.8 | 0 | 0 | 109.8 | F3 | M1-F3 PolarHBondContact O-N 3.11Š| |||
| 2 | Q | 34.7 | Very low | 49.1 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 90% | 0.897 | 66% | 0.657 | S | S | * | * | trans | -72.6 | 102.3 | 164.3 | -132.6 | 166.6 | -8.8 | 0 | 0 | 105.1 | L4 | Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.34Å | ||
| 3 | F | 41.3 | Very low | 51.7 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | trans | -69.8 | 101.3 | 172.2 | -107.1 | -90.3 | 0 | 0 | 0 | 106.8 | M1 L5 | M1-F3 PolarHBondContact O-N 3.11Å; F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.31Å | ||
| 4 | L | 37.6 | Very low | 53.9 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | trans | -46.5 | 97.3 | 159.2 | -67.9 | 160.9 | 0 | 0 | 0 | 107.8 | Q2 E6 | Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.34Å; L4-E6 HydrophobicContact CB-CB 4.26Å; L4-E6 HydrophobicContact CB-CG 3.97Å; L4-E6 HydrophobicContact CD2-CG 4.07Å; L4-E6 PolarHBondContact O-N 3.19Å | ||
| 5 | L | 43.3 | Very low | 56.1 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | trans | -77.7 | 61 | 158.3 | -73.8 | 163.6 | 0 | 0 | 0 | 106.6 | F3 L9 | F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.31Å; L5-L9 HydrophobicContact CD2-CD1 3.53Å | ||
| 6 | E | 42.2 | Very low | 58.1 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | trans | -76.2 | 152.5 | 171.8 | -88.9 | -177.6 | 173.9 | 0 | 0 | 109.3 | L4 N8 | L4-E6 HydrophobicContact CB-CB 4.26Å; L4-E6 HydrophobicContact CB-CG 3.97Å; L4-E6 HydrophobicContact CD2-CG 4.07Å; L4-E6 PolarHBondContact O-N 3.19Å; E6-N8 PolarHBondContact O-N 3.41Å | ||
| 7 | P | 46 | Very low | 59.8 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 82% | 0.818 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -73 | 22.9 | -144.2 | 28.9 | -37.3 | 0 | 0 | 0 | 117.6 | ||
| 8 | N | 45.3 | Very low | 61.5 | Low | 149 Ų | 149 | 102.8 Ų | 102.8 | 80% | 0.797 | 53% | 0.531 | S | S | * | . | trans | -95.7 | 10.5 | -176.4 | -71.1 | -24.9 | 0 | 0 | 0 | 114.8 | E6 T10 | E6-N8 PolarHBondContact O-N 3.41Å; N8-T10 PolarHBondContact O-N 3.39Å | ||
| 9 | L | 52.7 | Low | 63 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | trans | -73 | 95 | 169.5 | -75.4 | 168.7 | 0 | 0 | 0 | 109 | L5 | L5-L9 HydrophobicContact CD2-CD1 3.53Š| ||
| 10 | T | 62.7 | Low | 64.4 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | trans | -62.3 | 148.5 | 163.3 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | N8 N12 P13 | N8-T10 PolarHBondContact O-N 3.39Å; T10-N12 PolarHBondContact O-N 2.89Å; T10-P13 WeakPolarHBondContact O-CD 3.41Å; T10-P13 WeakPolarHBondContact OG1-CD 3.16Å; T10-P13 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 11 | E | 69.7 | Low | 65.6 | Low | 70 Ų | 70 | 97.6 Ų | 97.6 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.7 | -37.2 | -174.3 | -175.4 | 171.5 | 169.9 | 0 | 0 | 112.5 | C14 T15 W52 N58 | E11-C14 WeakPolarHBondContact O-CB 3.34Å; E11-C14 PolarHBondContact O-N 2.85Å; E11-T15 PolarHBondContact O-N 3.24Å; E11-T15 PolarHBondContact O-OG1 3.22Å; E11-W52 HydrophobicContact CB-CH2 4.45Å; E11-N58 WeakPolarHBondContact CG-ND2 3.46Å; E11-N58 WeakPolarHBondContact OE1-CB 3.39Å; E11-N58 PolarHBondContact OE1-ND2 3.21Å |
| 12 | N | 80.6 | Confident | 68.4 | Low | 106 Ų | 106 | 87.7 Ų | 87.7 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.1 | -52 | -172.9 | -172.3 | -19.3 | 0 | 0 | 0 | 114.1 | T10 C14 T15 R16 | T10-N12 PolarHBondContact O-N 2.89Å; N12-C14 VanDerWaalsContact C-N 3.3Å; N12-C14 PolarHBondContact O-N 3.23Å; N12-T15 PolarHBondContact O-N 3.05Å; N12-R16 WeakPolarHBondContact O-CB 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.37Å; N12-R16 VanDerWaalsContact OD1-CD 3.24Å; N12-R16 WeakPolarHBondContact OD1-CD 3.45Å |
| 13 | P | 83.1 | Confident | 71.2 | Confident | 68 Ų | 68 | 84 Ų | 84 | 44% | 0.442 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.8 | -40 | 172.2 | -27.4 | 33.8 | 0 | 0 | 0 | 114.2 | T10 R16 A17 | T10-P13 WeakPolarHBondContact O-CD 3.41Å; T10-P13 WeakPolarHBondContact OG1-CD 3.16Å; T10-P13 WeakPolarHBondContact OG1-CG 3.33Å; P13-R16 PolarHBondContact O-N 3.39Å; P13-A17 WeakPolarHBondContact O-CB 3.44Å; P13-A17 PolarHBondContact O-N 2.69Å |
| 14 | C | 83.2 | Confident | 73.6 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 8% | 0.081 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.6 | -52 | 175.8 | -83.2 | 0 | 0 | 0 | 0 | 111.5 | E11 N12 R16 A17 V18 W52 M61 | E11-C14 WeakPolarHBondContact O-CB 3.34Å; E11-C14 PolarHBondContact O-N 2.85Å; N12-C14 VanDerWaalsContact C-N 3.3Å; N12-C14 PolarHBondContact O-N 3.23Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 3.49Å; C14-A17 PolarHBondContact O-N 3.49Å; C14-V18 WeakPolarHBondContact O-CG2 3.49Å; C14-V18 PolarHBondContact O-N 3.38Å; C14-W52 HydrophobicContact CB-CZ3 4.42Å; C14-M61 HydrophobicContact CB-CE 4.42Å; C14-M61 HydrophobicContact CB-SD 4.32Å |
| 15 | T | 86.3 | Confident | 76.1 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | E11 N12 A17 V18 V19 N58 L60 M61 | E11-T15 PolarHBondContact O-N 3.24Å; E11-T15 PolarHBondContact O-OG1 3.22Å; N12-T15 PolarHBondContact O-N 3.05Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.26Å; T15-V18 PolarHBondContact O-N 3.15Å; T15-V19 HydrophobicContact CG2-CG2 4.37Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 2.91Å; T15-V19 PolarHBondContact O-N 3.25Å; T15-N58 PolarHBondContact OG1-ND2 2.98Å; T15-L60 HydrophobicContact CG2-CB 4.04Å; T15-L60 HydrophobicContact CG2-CD2 3.7Å; T15-L60 HydrophobicContact CG2-CG 3.85Å; T15-M61 HydrophobicContact CG2-CB 4.1Å |
| 16 | R | 87.8 | Confident | 78.3 | Confident | 173 Ų | 173 | 73 Ų | 73 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.5 | -44.4 | 177.7 | -72.8 | 179.6 | 66.2 | -174.5 | 0.9 | 112 | N12 P13 C14 V18 V19 V20 | N12-R16 WeakPolarHBondContact O-CB 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.37Å; N12-R16 VanDerWaalsContact OD1-CD 3.24Å; N12-R16 WeakPolarHBondContact OD1-CD 3.45Å; P13-R16 PolarHBondContact O-N 3.39Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 3.49Å; R16-V18 PolarHBondContact O-N 2.96Å; R16-V19 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-CG2 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.26Å; R16-V20 PolarHBondContact O-N 3.32Å |
| 17 | A | 88 | Confident | 80.6 | Confident | 50 Ų | 50 | 77.2 Ų | 77.2 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P13 C14 T15 V20 M21 | P13-A17 WeakPolarHBondContact O-CB 3.44Å; P13-A17 PolarHBondContact O-N 2.69Å; C14-A17 PolarHBondContact O-N 3.49Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.26Å; A17-V20 PolarHBondContact O-N 2.83Å; A17-M21 WeakPolarHBondContact O-CB 3.21Å; A17-M21 VanDerWaalsContact O-CG 3.29Å; A17-M21 WeakPolarHBondContact O-CG 3.28Å; A17-M21 PolarHBondContact O-N 2.98Å |
| 18 | V | 89.1 | Confident | 82.7 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 112 | C14 T15 R16 V20 M21 S22 M61 A64 S65 I68 | C14-V18 WeakPolarHBondContact O-CG2 3.49Å; C14-V18 PolarHBondContact O-N 3.38Å; T15-V18 PolarHBondContact O-N 3.15Å; R16-V18 PolarHBondContact O-N 2.96Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.23Å; V18-M21 HydrophobicContact CB-CE 4.24Å; V18-M21 HydrophobicContact CG2-CE 3.77Å; V18-M21 PolarHBondContact O-N 2.94Å; V18-S22 PolarHBondContact O-N 2.84Å; V18-M61 HydrophobicContact CB-CG 4.23Å; V18-M61 HydrophobicContact CG1-CG 4.28Å; V18-M61 HydrophobicContact CG2-CE 3.94Å; V18-M61 HydrophobicContact CG2-CG 4.11Å; V18-A64 HydrophobicContact CG1-CB 3.86Å; V18-S65 WeakPolarHBondContact CG1-OG 3.46Å; V18-I68 HydrophobicContact CG1-CD1 4.07Å |
| 19 | V | 90 | Very high | 84.8 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | T15 R16 M21 S22 Q23 L60 A64 | T15-V19 HydrophobicContact CG2-CG2 4.37Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 2.91Å; T15-V19 PolarHBondContact O-N 3.25Å; R16-V19 PolarHBondContact O-N 3.01Å; V19-M21 PolarHBondContact O-N 3.5Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.4Å; V19-Q23 WeakPolarHBondContact O-CG 3.32Å; V19-Q23 PolarHBondContact O-N 2.98Å; V19-L60 HydrophobicContact CG2-CD1 3.97Å; V19-L60 HydrophobicContact CG2-CD2 3.99Å; V19-L60 HydrophobicContact CG2-CG 3.7Å; V19-A64 HydrophobicContact CG2-CB 4.11Å |
| 20 | V | 91.5 | Very high | 86.4 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175 | 171.4 | 0 | 0 | 0 | 0 | 111 | R16 A17 V18 S22 Q23 C24 | R16-V20 VanDerWaalsContact O-CG2 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.26Å; R16-V20 PolarHBondContact O-N 3.32Å; A17-V20 PolarHBondContact O-N 2.83Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.23Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.85Å; V20-Q23 WeakPolarHBondContact O-CB 3.46Å; V20-Q23 PolarHBondContact O-N 3.43Å; V20-Q23 VanDerWaalsContact O-N 3.12Å; V20-C24 PolarHBondContact O-N 3.32Å; V20-C24 PolarHBondContact O-SG 2.91Å |
| 21 | M | 89.8 | Confident | 87.8 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 40% | 0.404 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.8 | -74.3 | -173.7 | -60.3 | 0 | 0 | 111.9 | A17 V18 V19 Q23 C24 I25 I68 | A17-M21 WeakPolarHBondContact O-CB 3.21Å; A17-M21 VanDerWaalsContact O-CG 3.29Å; A17-M21 WeakPolarHBondContact O-CG 3.28Å; A17-M21 PolarHBondContact O-N 2.98Å; V18-M21 HydrophobicContact CB-CE 4.24Å; V18-M21 HydrophobicContact CG2-CE 3.77Å; V18-M21 PolarHBondContact O-N 2.94Å; V19-M21 PolarHBondContact O-N 3.5Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.22Å; M21-C24 PolarHBondContact O-N 3.31Å; M21-C24 VanDerWaalsContact O-N 3.14Å; M21-I25 WeakPolarHBondContact O-CG1 3.5Å; M21-I25 WeakPolarHBondContact O-CG2 3.48Å; M21-I25 PolarHBondContact O-N 2.92Å; M21-I68 HydrophobicContact CB-CD1 3.91Å |
| 22 | S | 92.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.028 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 174.1 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | V18 V19 V20 I25 H26 E67 | V18-S22 PolarHBondContact O-N 2.84Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.4Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.85Å; S22-I25 WeakPolarHBondContact O-CG1 3.13Å; S22-H26 PolarHBondContact O-CD2 3.35Å; S22-E67 WeakPolarHBondContact OG-CG 3.5Å; S22-E67 PolarHBondContact OG-OE2 3.03Å |
| 23 | Q | 92.3 | Very high | 88.9 | Confident | 116 Ų | 116 | 70.1 Ų | 70.1 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 173.8 | -67 | 175.3 | -8.9 | 0 | 0 | 112.7 | V19 V20 M21 | V19-Q23 WeakPolarHBondContact O-CG 3.32Å; V19-Q23 PolarHBondContact O-N 2.98Å; V20-Q23 WeakPolarHBondContact O-CB 3.46Å; V20-Q23 PolarHBondContact O-N 3.43Å; V20-Q23 VanDerWaalsContact O-N 3.12Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.22Å |
| 24 | C | 92.3 | Very high | 89.1 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 178.8 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | V20 M21 H26 R27 M28 | V20-C24 PolarHBondContact O-N 3.32Å; V20-C24 PolarHBondContact O-SG 2.91Å; M21-C24 PolarHBondContact O-N 3.31Å; M21-C24 VanDerWaalsContact O-N 3.14Å; C24-H26 PolarHBondContact O-N 2.81Å; C24-R27 PolarHBondContact O-N 3.4Å; C24-M28 HydrophobicContact CB-CE 4.35Å; C24-M28 WeakPolarHBondContact O-CG 3.5Å; C24-M28 PolarHBondContact O-N 3.06Å |
| 25 | I | 90.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -28.3 | -178 | 55.6 | 120.9 | 0 | 0 | 0 | 113.1 | M21 S22 R27 M28 L33 F37 I68 K71 | M21-I25 WeakPolarHBondContact O-CG1 3.5Å; M21-I25 WeakPolarHBondContact O-CG2 3.48Å; M21-I25 PolarHBondContact O-N 2.92Å; S22-I25 WeakPolarHBondContact O-CG1 3.13Å; I25-R27 PolarHBondContact O-N 2.93Å; I25-M28 HydrophobicContact CG2-SD 4.27Å; I25-M28 PolarHBondContact O-N 3.49Å; I25-L33 HydrophobicContact CB-CD2 3.94Å; I25-L33 HydrophobicContact CG2-CD2 3.96Å; I25-F37 HydrophobicContact CG2-CE2 4.35Å; I25-I68 HydrophobicContact CD1-CB 4.3Å; I25-I68 HydrophobicContact CD1-CG1 4.07Å; I25-I68 HydrophobicContact CG1-CG1 4.04Å; I25-I68 HydrophobicContact CG2-CG2 4.44Å; I25-K71 HydrophobicContact CD1-CB 3.47Å; I25-K71 VanDerWaalsContact CD1-CB 3.47Å; I25-K71 HydrophobicContact CD1-CG 3.79Å |
| 26 | H | 90.5 | Very high | 89.1 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.407 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.4 | 173.1 | -80.4 | -57.5 | 0 | 0 | 0 | 113.9 | S22 C24 E67 | S22-H26 PolarHBondContact O-CD2 3.35Å; C24-H26 PolarHBondContact O-N 2.81Å; H26-E67 IonicContact CD2-OE1 3.65Å; H26-E67 IonicContact CE1-OE1 3.65Å; H26-E67 VanDerWaalsContact NE2-CD 3.33Å; H26-E67 IonicContact NE2-OE1 2.71Å; H26-E67 PolarHBondContact NE2-OE1 3.44Å |
| 27 | R | 90 | Very high | 88.8 | Confident | 212 Ų | 212 | 68.8 Ų | 68.8 | 80% | 0.8 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -11.4 | 178.1 | -60.7 | -178.8 | -178 | -178.7 | 0.7 | 113.2 | C24 I25 | C24-R27 PolarHBondContact O-N 3.4Å; I25-R27 PolarHBondContact O-N 2.93Å |
| 28 | M | 89.5 | Confident | 88.3 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -77.7 | 141.7 | -179.3 | -74 | 174.4 | 174.8 | 0 | 0 | 111.6 | C24 I25 E32 L33 L36 | C24-M28 HydrophobicContact CB-CE 4.35Å; C24-M28 WeakPolarHBondContact O-CG 3.5Å; C24-M28 PolarHBondContact O-N 3.06Å; I25-M28 HydrophobicContact CG2-SD 4.27Å; I25-M28 PolarHBondContact O-N 3.49Å; M28-E32 WeakPolarHBondContact CA-OE2 3.32Å; M28-E32 HydrophobicContact CB-CB 4.23Å; M28-E32 HydrophobicContact CG-CB 4.49Å; M28-L33 HydrophobicContact CB-CD2 3.9Å; M28-L33 HydrophobicContact CB-CG 3.84Å; M28-L33 HydrophobicContact SD-CD2 3.96Å; M28-L36 HydrophobicContact CE-CD1 3.78Å; M28-L36 HydrophobicContact SD-CD1 3.5Å; M28-L36 VanDerWaalsContact SD-CD1 3.5Å |
| 29 | H | 89.9 | Confident | 87.9 | Confident | 140 Ų | 140 | 75 Ų | 75 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | trans | -72.8 | 162 | 170.9 | -65.1 | -71.6 | 0 | 0 | 0 | 111.4 | D31 E32 L33 | H29-D31 VanDerWaalsContact C-N 3.29Å; H29-D31 PolarHBondContact O-N 3.32Å; H29-E32 HydrophobicContact CB-CG 4.43Å; H29-E32 IonicContact CD2-OE2 3.64Å; H29-E32 IonicContact CG-OE2 3.98Å; H29-E32 PolarHBondContact N-OE2 3.48Å; H29-E32 PolarHBondContact O-N 2.9Å; H29-E32 VanDerWaalsContact O-N 3.14Å; H29-L33 PolarHBondContact O-N 3.28Å; H29-L33 VanDerWaalsContact O-N 3.07Å | ||
| 30 | S | 86.9 | Confident | 87.2 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.6 | -42.9 | -178 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | E32 L33 K34 | S30-E32 VanDerWaalsContact C-N 3.35Å; S30-E32 PolarHBondContact O-N 3.37Å; S30-L33 PolarHBondContact O-N 3.25Å; S30-K34 VanDerWaalsContact O-CG 3.32Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.32Å |
| 31 | D | 90.2 | Very high | 86.8 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 66% | 0.663 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.1 | -33 | -178.1 | -61.9 | -24.8 | 0 | 0 | 0 | 112.6 | H29 S35 | H29-D31 VanDerWaalsContact C-N 3.29Å; H29-D31 PolarHBondContact O-N 3.32Å; D31-S35 VanDerWaalsContact O-CB 3.31Å; D31-S35 WeakPolarHBondContact O-CB 3.39Å; D31-S35 PolarHBondContact O-N 3.42Å |
| 32 | E | 88.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 81 Ų | 81 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 175.3 | -61 | 177 | 123.8 | 0 | 0 | 110.7 | M28 H29 S30 S35 L36 | M28-E32 WeakPolarHBondContact CA-OE2 3.32Å; M28-E32 HydrophobicContact CB-CB 4.23Å; M28-E32 HydrophobicContact CG-CB 4.49Å; H29-E32 HydrophobicContact CB-CG 4.43Å; H29-E32 IonicContact CD2-OE2 3.64Å; H29-E32 IonicContact CG-OE2 3.98Å; H29-E32 PolarHBondContact N-OE2 3.48Å; H29-E32 PolarHBondContact O-N 2.9Å; H29-E32 VanDerWaalsContact O-N 3.14Å; S30-E32 VanDerWaalsContact C-N 3.35Å; S30-E32 PolarHBondContact O-N 3.37Å; E32-S35 PolarHBondContact O-N 2.95Å; E32-L36 WeakPolarHBondContact O-CG 3.19Å; E32-L36 PolarHBondContact O-N 3.01Å |
| 33 | L | 86.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.7 | -70.8 | 173.4 | 0 | 0 | 0 | 111.5 | I25 M28 H29 S30 L36 F37 K71 V72 K75 | I25-L33 HydrophobicContact CB-CD2 3.94Å; I25-L33 HydrophobicContact CG2-CD2 3.96Å; M28-L33 HydrophobicContact CB-CD2 3.9Å; M28-L33 HydrophobicContact CB-CG 3.84Å; M28-L33 HydrophobicContact SD-CD2 3.96Å; H29-L33 PolarHBondContact O-N 3.28Å; H29-L33 VanDerWaalsContact O-N 3.07Å; S30-L33 PolarHBondContact O-N 3.25Å; L33-L36 PolarHBondContact O-N 2.75Å; L33-F37 HydrophobicContact CD2-CE2 4.39Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 2.86Å; L33-K71 HydrophobicContact CD1-CG 4.12Å; L33-V72 HydrophobicContact CD2-CG2 4.5Å; L33-K75 HydrophobicContact CD1-CB 4.44Å; L33-K75 HydrophobicContact CD1-CG 3.94Å |
| 34 | K | 86.8 | Confident | 85.6 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 174.8 | -73.8 | 176.5 | -178.6 | 179.6 | 0 | 111.6 | S30 L36 F37 E38 K75 | S30-K34 VanDerWaalsContact O-CG 3.32Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.32Å; K34-L36 PolarHBondContact O-N 3.1Å; K34-F37 PolarHBondContact O-N 3.12Å; K34-E38 HydrophobicContact CB-CG 4.3Å; K34-E38 WeakPolarHBondContact CG-OE1 3.4Å; K34-E38 VanDerWaalsContact O-CB 3.22Å; K34-E38 WeakPolarHBondContact O-CB 3.46Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 3.41Å; K34-K75 WeakPolarHBondContact CE-O 3.42Å |
| 35 | S | 86.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -34.8 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | D31 E32 K39 | D31-S35 VanDerWaalsContact O-CB 3.31Å; D31-S35 WeakPolarHBondContact O-CB 3.39Å; D31-S35 PolarHBondContact O-N 3.42Å; E32-S35 PolarHBondContact O-N 2.95Å; S35-K39 WeakPolarHBondContact O-CE 3.49Å |
| 36 | L | 83 | Confident | 85 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -76.4 | -47.9 | 176.7 | -72 | 170.9 | 0 | 0 | 0 | 112.7 | M28 E32 L33 K34 H42 | M28-L36 HydrophobicContact CE-CD1 3.78Å; M28-L36 HydrophobicContact SD-CD1 3.5Å; M28-L36 VanDerWaalsContact SD-CD1 3.5Å; E32-L36 WeakPolarHBondContact O-CG 3.19Å; E32-L36 PolarHBondContact O-N 3.01Å; L33-L36 PolarHBondContact O-N 2.75Å; K34-L36 PolarHBondContact O-N 3.1Å; L36-H42 WeakPolarHBondContact O-CB 3.37Å; L36-H42 PolarHBondContact O-CD2 3.46Å |
| 37 | F | 82 | Confident | 84.7 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 10% | 0.096 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -105 | -10.1 | -165.1 | -70.3 | -80.4 | 0 | 0 | 0 | 115.5 | I25 L33 K34 K39 V43 L46 I68 V72 A79 | I25-F37 HydrophobicContact CG2-CE2 4.35Å; L33-F37 HydrophobicContact CD2-CE2 4.39Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 2.86Å; K34-F37 PolarHBondContact O-N 3.12Å; F37-K39 PolarHBondContact O-N 3.1Å; F37-V43 HydrophobicContact CB-CG2 4.45Å; F37-V43 HydrophobicContact CD1-CG2 4.35Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; F37-L46 HydrophobicContact CE1-CD2 3.97Å; F37-I68 HydrophobicContact CE1-CG2 4.4Å; F37-I68 HydrophobicContact CZ-CG2 3.91Å; F37-V72 HydrophobicContact CB-CG1 3.38Å; F37-V72 HydrophobicContact CB-CG2 4.31Å; F37-V72 HydrophobicContact CD1-CG1 4.09Å; F37-V72 HydrophobicContact CD1-CG2 4.05Å; F37-V72 HydrophobicContact CD2-CB 4.3Å; F37-V72 HydrophobicContact CD2-CG1 4Å; F37-V72 HydrophobicContact CD2-CG2 3.26Å; F37-V72 HydrophobicContact CE1-CG2 4.16Å; F37-V72 HydrophobicContact CE2-CG2 3.38Å; F37-V72 HydrophobicContact CG-CB 4.26Å; F37-V72 HydrophobicContact CG-CG1 3.56Å; F37-V72 HydrophobicContact CG-CG2 3.61Å; F37-V72 HydrophobicContact CZ-CG2 3.84Å; F37-A79 HydrophobicContact CB-CB 4.17Å |
| 38 | E | 77.4 | Confident | 84.4 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -74.1 | -7.6 | 170.2 | -69.4 | -172.8 | -177.2 | 0 | 0 | 113.1 | K34 S76 K78 | K34-E38 HydrophobicContact CB-CG 4.3Å; K34-E38 WeakPolarHBondContact CG-OE1 3.4Å; K34-E38 VanDerWaalsContact O-CB 3.22Å; K34-E38 WeakPolarHBondContact O-CB 3.46Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 3.41Å; E38-S76 WeakPolarHBondContact CG-OG 3.32Å; E38-S76 PolarHBondContact OE1-OG 2.84Å; E38-K78 HydrophobicContact CB-CD 4.12Å; E38-K78 HydrophobicContact CG-CB 4.26Å; E38-K78 HydrophobicContact CG-CD 4.18Å; E38-K78 HydrophobicContact CG-CG 4.45Å |
| 39 | K | 79.7 | Confident | 84 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -86.3 | 110.6 | 168.6 | -60.3 | 174.4 | -173.6 | 167.3 | 0 | 108.9 | S35 F37 R41 H42 | S35-K39 WeakPolarHBondContact O-CE 3.49Å; F37-K39 PolarHBondContact O-N 3.1Å; K39-R41 PolarHBondContact O-N 3.37Å; K39-H42 PolarHBondContact O-N 3.09Å |
| 40 | T | 74.9 | Confident | 83.6 | Confident | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.6 | -30.7 | -178.5 | -45.5 | 0 | 0 | 0 | 0 | 114.1 | H42 K44 | T40-H42 PolarHBondContact O-N 2.9Å; T40-K44 HydrophobicContact CG2-CD 4.04Å; T40-K44 HydrophobicContact CG2-CG 4.27Å; T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 WeakPolarHBondContact O-CG 3.47Å; T40-K44 PolarHBondContact O-N 3.46Å |
| 41 | R | 84.6 | Confident | 83.3 | Confident | 181 Ų | 181 | 69.4 Ų | 69.4 | 68% | 0.683 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 176.8 | -175.7 | -179.5 | 179.5 | -171.6 | 0.1 | 113 | K39 R45 | K39-R41 PolarHBondContact O-N 3.37Å; R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-N 3.09Å |
| 42 | H | 83.5 | Confident | 82.8 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.7 | -41.5 | -177.8 | -67.6 | -58 | 0 | 0 | 0 | 111 | L36 K39 T40 R45 L46 | L36-H42 WeakPolarHBondContact O-CB 3.37Å; L36-H42 PolarHBondContact O-CD2 3.46Å; K39-H42 PolarHBondContact O-N 3.09Å; T40-H42 PolarHBondContact O-N 2.9Å; H42-R45 PolarHBondContact O-N 3.16Å; H42-L46 PolarHBondContact O-N 3.28Å |
| 43 | V | 83.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -52.6 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F37 R45 L46 I47 M83 A86 | F37-V43 HydrophobicContact CB-CG2 4.45Å; F37-V43 HydrophobicContact CD1-CG2 4.35Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; V43-R45 VanDerWaalsContact C-N 3.27Å; V43-R45 PolarHBondContact O-N 3.09Å; V43-L46 WeakPolarHBondContact O-CB 2.98Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.11Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.35Å; V43-M83 HydrophobicContact CG1-CB 4.21Å; V43-M83 HydrophobicContact CG1-CG 3.42Å; V43-M83 VanDerWaalsContact CG1-CG 3.42Å; V43-M83 HydrophobicContact CG2-CE 4.47Å; V43-M83 HydrophobicContact CG2-CG 4.48Å; V43-A86 HydrophobicContact CG1-CB 4.38Å |
| 44 | K | 81.5 | Confident | 82.2 | Confident | 113 Ų | 113 | 62.7 Ų | 62.7 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 178.8 | -75.4 | -178.9 | 176 | -179.3 | 0 | 112.3 | T40 I47 Q48 A86 | T40-K44 HydrophobicContact CG2-CD 4.04Å; T40-K44 HydrophobicContact CG2-CG 4.27Å; T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 WeakPolarHBondContact O-CG 3.47Å; T40-K44 PolarHBondContact O-N 3.46Å; K44-I47 PolarHBondContact O-N 3.01Å; K44-Q48 WeakPolarHBondContact O-CB 3.36Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.39Å; K44-Q48 PolarHBondContact O-N 3.29Å; K44-A86 HydrophobicContact CG-CB 4.36Å |
| 45 | R | 84.3 | Confident | 82 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177.5 | -170.7 | 172.1 | -175.6 | 172.2 | 0.9 | 112.3 | R41 H42 V43 Q48 L49 | R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-N 3.09Å; H42-R45 PolarHBondContact O-N 3.16Å; V43-R45 VanDerWaalsContact C-N 3.27Å; V43-R45 PolarHBondContact O-N 3.09Å; R45-Q48 PolarHBondContact O-N 3.38Å; R45-L49 WeakPolarHBondContact O-CG 3.36Å; R45-L49 PolarHBondContact O-N 2.93Å |
| 46 | L | 84.8 | Confident | 81.9 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 174.4 | -180 | 60 | 0 | 0 | 0 | 110.5 | F37 H42 V43 Q48 L49 I50 I68 I69 M83 | F37-L46 HydrophobicContact CE1-CD2 3.97Å; H42-L46 PolarHBondContact O-N 3.28Å; V43-L46 WeakPolarHBondContact O-CB 2.98Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.11Å; L46-Q48 VanDerWaalsContact C-N 3.29Å; L46-Q48 PolarHBondContact O-N 3.39Å; L46-L49 PolarHBondContact O-N 3.14Å; L46-I50 HydrophobicContact CD1-CD1 3.99Å; L46-I50 HydrophobicContact CD1-CG1 4.39Å; L46-I50 HydrophobicContact CG-CD1 3.84Å; L46-I50 WeakPolarHBondContact O-CB 3.34Å; L46-I50 WeakPolarHBondContact O-CD1 3.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.18Å; L46-I68 HydrophobicContact CD1-CG2 4.37Å; L46-I68 HydrophobicContact CD2-CB 4.45Å; L46-I68 HydrophobicContact CD2-CG2 3.68Å; L46-I69 HydrophobicContact CD2-CG1 3.73Å; L46-I69 HydrophobicContact CG-CG1 4.36Å; L46-M83 HydrophobicContact CD2-CE 4.38Å |
| 47 | I | 83.7 | Confident | 82 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 177.2 | -59.2 | -57 | 0 | 0 | 0 | 112.2 | V43 K44 I50 K51 I69 A86 I88 | V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.35Å; K44-I47 PolarHBondContact O-N 3.01Å; I47-I50 HydrophobicContact CD1-CD1 4.46Å; I47-I50 WeakPolarHBondContact O-CB 3.04Å; I47-I50 PolarHBondContact O-N 3.07Å; I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CB 3.35Å; I47-K51 WeakPolarHBondContact O-CG 3.3Å; I47-K51 PolarHBondContact O-N 3.45Å; I47-I69 HydrophobicContact CD1-CD1 4.32Å; I47-A86 HydrophobicContact CB-CB 4.26Å; I47-A86 HydrophobicContact CG1-CB 3.79Å; I47-A86 HydrophobicContact CG2-CB 4.39Å; I47-A86 WeakPolarHBondContact CG2-O 3.24Å; I47-I88 HydrophobicContact CD1-CB 4.2Å; I47-I88 HydrophobicContact CD1-CD1 3.42Å; I47-I88 VanDerWaalsContact CD1-CD1 3.42Å; I47-I88 HydrophobicContact CD1-CG1 4.34Å |
| 48 | Q | 83.7 | Confident | 82.3 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.2 | -44.3 | 175.2 | -77.2 | 173.5 | -20.5 | 0 | 0 | 112.9 | K44 R45 L46 I50 K51 W52 | K44-Q48 WeakPolarHBondContact O-CB 3.36Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.39Å; K44-Q48 PolarHBondContact O-N 3.29Å; R45-Q48 PolarHBondContact O-N 3.38Å; L46-Q48 VanDerWaalsContact C-N 3.29Å; L46-Q48 PolarHBondContact O-N 3.39Å; Q48-I50 PolarHBondContact O-N 2.93Å; Q48-K51 PolarHBondContact O-N 3.48Å; Q48-W52 WeakPolarHBondContact O-CB 3.4Å; Q48-W52 PolarHBondContact O-N 3.24Å |
| 49 | L | 81.5 | Confident | 82.9 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 176.1 | -75.7 | 169.6 | 0 | 0 | 0 | 111.4 | R45 L46 W52 S53 M61 | R45-L49 WeakPolarHBondContact O-CG 3.36Å; R45-L49 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.14Å; L49-W52 WeakPolarHBondContact O-CB 3.31Å; L49-W52 PolarHBondContact O-N 3Å; L49-S53 PolarHBondContact O-N 3.46Å; L49-S53 VanDerWaalsContact O-N 3.1Å; L49-M61 HydrophobicContact CB-CE 4.08Å; L49-M61 HydrophobicContact CD2-CE 4.32Å; L49-M61 WeakPolarHBondContact O-CE 3.24Å |
| 50 | I | 81.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -47.6 | 178.9 | -72.7 | 173.1 | 0 | 0 | 0 | 112.1 | L46 I47 Q48 W52 S53 A54 I69 F91 | L46-I50 HydrophobicContact CD1-CD1 3.99Å; L46-I50 HydrophobicContact CD1-CG1 4.39Å; L46-I50 HydrophobicContact CG-CD1 3.84Å; L46-I50 WeakPolarHBondContact O-CB 3.34Å; L46-I50 WeakPolarHBondContact O-CD1 3.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.18Å; I47-I50 HydrophobicContact CD1-CD1 4.46Å; I47-I50 WeakPolarHBondContact O-CB 3.04Å; I47-I50 PolarHBondContact O-N 3.07Å; Q48-I50 PolarHBondContact O-N 2.93Å; I50-W52 PolarHBondContact O-N 3.1Å; I50-S53 PolarHBondContact O-N 3.03Å; I50-S53 PolarHBondContact O-OG 3.44Å; I50-A54 PolarHBondContact O-N 3.21Å; I50-A54 VanDerWaalsContact O-N 3.11Å; I50-I69 HydrophobicContact CD1-CD1 3.22Å; I50-I69 HydrophobicContact CD1-CG1 4.13Å; I50-F91 HydrophobicContact CB-CD2 4.5Å; I50-F91 HydrophobicContact CB-CE2 4.33Å; I50-F91 HydrophobicContact CG2-CD1 3.76Å; I50-F91 HydrophobicContact CG2-CD2 3.08Å; I50-F91 HydrophobicContact CG2-CE1 3.56Å; I50-F91 HydrophobicContact CG2-CE2 2.85Å; I50-F91 HydrophobicContact CG2-CG 3.5Å; I50-F91 VanDerWaalsContact CG2-CG 3.5Å; I50-F91 HydrophobicContact CG2-CZ 3.09Å |
| 51 | K | 80.5 | Confident | 84.1 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -28.3 | 175.2 | -76.3 | 177.5 | 176.9 | 175.2 | 0 | 111.9 | I47 Q48 P55 A86 | I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CB 3.35Å; I47-K51 WeakPolarHBondContact O-CG 3.3Å; I47-K51 PolarHBondContact O-N 3.45Å; Q48-K51 PolarHBondContact O-N 3.48Å; K51-P55 WeakPolarHBondContact O-CD 3.48Å; K51-A86 PolarHBondContact NZ-O 3.35Å |
| 52 | W | 80.3 | Confident | 84.4 | Confident | 84 Ų | 84 | 58 Ų | 58 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.6 | -31.6 | 173.7 | -179.7 | 92.3 | 0 | 0 | 0 | 113.3 | E11 C14 Q48 L49 I50 R56 M61 | E11-W52 HydrophobicContact CB-CH2 4.45Å; C14-W52 HydrophobicContact CB-CZ3 4.42Å; Q48-W52 WeakPolarHBondContact O-CB 3.4Å; Q48-W52 PolarHBondContact O-N 3.24Å; L49-W52 WeakPolarHBondContact O-CB 3.31Å; L49-W52 PolarHBondContact O-N 3Å; I50-W52 PolarHBondContact O-N 3.1Å; W52-R56 VanDerWaalsContact CE2-NE 3.3Å; W52-R56 VanDerWaalsContact CZ2-NE 3.3Å; W52-M61 HydrophobicContact CE3-CE 4.1Å; W52-M61 HydrophobicContact CE3-SD 4.27Å; W52-M61 HydrophobicContact CZ3-CE 4.27Å; W52-M61 HydrophobicContact CZ3-SD 4.01Å |
| 53 | S | 82.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -83.1 | -33.2 | -176.7 | 64 | 0 | 0 | 0 | 0 | 114.1 | L49 I50 R56 K57 V62 | L49-S53 PolarHBondContact O-N 3.46Å; L49-S53 VanDerWaalsContact O-N 3.1Å; I50-S53 PolarHBondContact O-N 3.03Å; I50-S53 PolarHBondContact O-OG 3.44Å; S53-R56 PolarHBondContact O-N 3.16Å; S53-K57 PolarHBondContact O-N 2.9Å; S53-V62 WeakPolarHBondContact OG-CG2 3.29Å |
| 54 | A | 80.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -60.6 | -48.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I50 R56 K57 V62 F91 F99 | I50-A54 PolarHBondContact O-N 3.21Å; I50-A54 VanDerWaalsContact O-N 3.11Å; A54-R56 PolarHBondContact O-N 3.23Å; A54-R56 VanDerWaalsContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.11Å; A54-V62 HydrophobicContact CB-CG2 4.49Å; A54-F91 HydrophobicContact CB-CE2 4.35Å; A54-F99 HydrophobicContact CB-CE2 4.18Å |
| 55 | P | 81.8 | Confident | 85.7 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 60% | 0.597 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -65.2 | -20.7 | 178.5 | -22.1 | 34.5 | 0 | 0 | 0 | 114 | K51 K57 | K51-P55 WeakPolarHBondContact O-CD 3.48Å; P55-K57 VanDerWaalsContact C-N 3.28Å |
| 56 | R | 85.2 | Confident | 86.1 | Confident | 122 Ų | 122 | 45 Ų | 45 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -84.3 | -3 | 177.4 | -65.2 | 177 | 173.8 | -116.4 | -2 | 112.9 | W52 S53 A54 N58 | W52-R56 VanDerWaalsContact CE2-NE 3.3Å; W52-R56 VanDerWaalsContact CZ2-NE 3.3Å; S53-R56 PolarHBondContact O-N 3.16Å; A54-R56 PolarHBondContact O-N 3.23Å; A54-R56 VanDerWaalsContact O-N 3.16Å; R56-N58 PolarHBondContact O-N 3.44Å |
| 57 | K | 85.2 | Confident | 86.6 | Confident | 138 Ų | 138 | 47.3 Ų | 47.3 | 60% | 0.6 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.1 | -176.5 | -60 | -173.1 | 175 | -173.7 | 0 | 113.6 | S53 A54 P55 E59 F99 | S53-K57 PolarHBondContact O-N 2.9Å; A54-K57 PolarHBondContact O-N 3.11Å; P55-K57 VanDerWaalsContact C-N 3.28Å; K57-E59 PolarHBondContact O-N 3.4Å; K57-F99 HydrophobicContact CB-CE1 4.11Å |
| 58 | N | 86.9 | Confident | 87 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -80.9 | 85 | 176.2 | -168.8 | -48 | 0 | 0 | 0 | 110.4 | E11 T15 R56 L60 M61 V62 | E11-N58 WeakPolarHBondContact CG-ND2 3.46Å; E11-N58 WeakPolarHBondContact OE1-CB 3.39Å; E11-N58 PolarHBondContact OE1-ND2 3.21Å; T15-N58 PolarHBondContact OG1-ND2 2.98Å; R56-N58 PolarHBondContact O-N 3.44Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3.01Å; N58-M61 HydrophobicContact CB-CB 4.17Å; N58-M61 PolarHBondContact O-N 3.1Å; N58-M61 WeakPolarHBondContact OD1-CB 3.44Å; N58-M61 PolarHBondContact OD1-N 3.03Å; N58-V62 WeakPolarHBondContact O-CB 3.46Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 3.35Å | ||
| 59 | E | 89.7 | Confident | 87.4 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.9 | -41 | -175.9 | -67 | -160.7 | 178.7 | 0 | 0 | 112.7 | K57 V62 S63 F99 I104 | K57-E59 PolarHBondContact O-N 3.4Å; E59-V62 PolarHBondContact O-N 2.91Å; E59-S63 WeakPolarHBondContact O-CB 3.38Å; E59-S63 PolarHBondContact O-N 3.02Å; E59-F99 HydrophobicContact CG-CD1 3.61Å; E59-F99 HydrophobicContact CG-CE1 3.6Å; E59-I104 HydrophobicContact CB-CD1 3.81Å; E59-I104 HydrophobicContact CG-CD1 3.68Å |
| 60 | L | 90.4 | Very high | 87.9 | Confident | 106 Ų | 106 | 39.9 Ų | 39.9 | 56% | 0.555 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.1 | -45.2 | -178.6 | -177.6 | 61.4 | 0 | 0 | 0 | 112.1 | T15 V19 N58 A64 | T15-L60 HydrophobicContact CG2-CB 4.04Å; T15-L60 HydrophobicContact CG2-CD2 3.7Å; T15-L60 HydrophobicContact CG2-CG 3.85Å; V19-L60 HydrophobicContact CG2-CD1 3.97Å; V19-L60 HydrophobicContact CG2-CD2 3.99Å; V19-L60 HydrophobicContact CG2-CG 3.7Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3.01Å; L60-A64 VanDerWaalsContact O-CB 3.28Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.46Å |
| 61 | M | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 178.2 | -174.6 | 173 | 170.6 | 0 | 0 | 111.3 | C14 T15 V18 L49 W52 N58 S65 | C14-M61 HydrophobicContact CB-CE 4.42Å; C14-M61 HydrophobicContact CB-SD 4.32Å; T15-M61 HydrophobicContact CG2-CB 4.1Å; V18-M61 HydrophobicContact CB-CG 4.23Å; V18-M61 HydrophobicContact CG1-CG 4.28Å; V18-M61 HydrophobicContact CG2-CE 3.94Å; V18-M61 HydrophobicContact CG2-CG 4.11Å; L49-M61 HydrophobicContact CB-CE 4.08Å; L49-M61 HydrophobicContact CD2-CE 4.32Å; L49-M61 WeakPolarHBondContact O-CE 3.24Å; W52-M61 HydrophobicContact CE3-CE 4.1Å; W52-M61 HydrophobicContact CE3-SD 4.27Å; W52-M61 HydrophobicContact CZ3-CE 4.27Å; W52-M61 HydrophobicContact CZ3-SD 4.01Å; N58-M61 HydrophobicContact CB-CB 4.17Å; N58-M61 PolarHBondContact O-N 3.1Å; N58-M61 WeakPolarHBondContact OD1-CB 3.44Å; N58-M61 PolarHBondContact OD1-N 3.03Å; M61-S65 VanDerWaalsContact O-CB 3.24Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 3.26Å; M61-S65 PolarHBondContact O-OG 3.16Å |
| 62 | V | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -50.4 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | S53 A54 N58 E59 A64 S65 I66 F91 C95 F99 I104 | S53-V62 WeakPolarHBondContact OG-CG2 3.29Å; A54-V62 HydrophobicContact CB-CG2 4.49Å; N58-V62 WeakPolarHBondContact O-CB 3.46Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 3.35Å; E59-V62 PolarHBondContact O-N 2.91Å; V62-A64 PolarHBondContact O-N 3.48Å; V62-S65 PolarHBondContact O-N 3.13Å; V62-S65 VanDerWaalsContact O-N 3.13Å; V62-I66 HydrophobicContact CG1-CD1 3.74Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 WeakPolarHBondContact O-CG1 3.47Å; V62-I66 PolarHBondContact O-N 2.98Å; V62-F91 HydrophobicContact CG1-CZ 4.23Å; V62-C95 VanDerWaalsContact CG1-SG 3.53Å; V62-F99 HydrophobicContact CB-CE2 4.48Å; V62-F99 HydrophobicContact CB-CZ 4.35Å; V62-F99 HydrophobicContact CG1-CE2 4.18Å; V62-F99 HydrophobicContact CG2-CE2 3.98Å; V62-F99 HydrophobicContact CG2-CZ 3.77Å; V62-I104 HydrophobicContact CG1-CD1 4.27Å; V62-I104 HydrophobicContact CG1-CG2 4.2Å |
| 63 | S | 92.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -51.5 | 179 | 177.5 | 0 | 0 | 0 | 0 | 112 | E59 S65 I66 E67 E103 K107 | E59-S63 WeakPolarHBondContact O-CB 3.38Å; E59-S63 PolarHBondContact O-N 3.02Å; S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.29Å; S63-I66 PolarHBondContact O-N 3.14Å; S63-E67 PolarHBondContact O-N 3.26Å; S63-E67 VanDerWaalsContact O-N 3.08Å; S63-E103 PolarHBondContact OG-OE1 3.38Å; S63-K107 PolarHBondContact OG-NZ 3.4Å |
| 64 | A | 92.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -31.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V18 V19 L60 V62 I68 | V18-A64 HydrophobicContact CG1-CB 3.86Å; V19-A64 HydrophobicContact CG2-CB 4.11Å; L60-A64 VanDerWaalsContact O-CB 3.28Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.46Å; V62-A64 PolarHBondContact O-N 3.48Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.81Å; A64-I68 VanDerWaalsContact O-N 3.08Å |
| 65 | S | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73 | -40.7 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | V18 M61 V62 S63 E67 I68 I69 | V18-S65 WeakPolarHBondContact CG1-OG 3.46Å; M61-S65 VanDerWaalsContact O-CB 3.24Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 3.26Å; M61-S65 PolarHBondContact O-OG 3.16Å; V62-S65 PolarHBondContact O-N 3.13Å; V62-S65 VanDerWaalsContact O-N 3.13Å; S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.29Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.18Å; S65-I68 PolarHBondContact O-N 3.04Å; S65-I69 WeakPolarHBondContact O-CD1 3.4Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.18Å; S65-I69 PolarHBondContact O-N 3.15Å |
| 66 | I | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 175 | -64.2 | 162.2 | 0 | 0 | 0 | 109.6 | V62 S63 I68 I69 I70 F91 I104 K107 L111 | V62-I66 HydrophobicContact CG1-CD1 3.74Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 WeakPolarHBondContact O-CG1 3.47Å; V62-I66 PolarHBondContact O-N 2.98Å; S63-I66 PolarHBondContact O-N 3.14Å; I66-I68 PolarHBondContact O-N 2.86Å; I66-I69 WeakPolarHBondContact O-CB 3.19Å; I66-I69 PolarHBondContact O-N 3.42Å; I66-I69 VanDerWaalsContact O-N 3.13Å; I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 3.31Å; I66-F91 HydrophobicContact CD1-CE1 4.44Å; I66-F91 HydrophobicContact CD1-CZ 4.2Å; I66-F91 HydrophobicContact CG1-CE1 3.81Å; I66-F91 HydrophobicContact CG1-CZ 3.84Å; I66-I104 HydrophobicContact CD1-CG2 4.21Å; I66-K107 HydrophobicContact CB-CB 4.33Å; I66-K107 HydrophobicContact CD1-CB 4.45Å; I66-K107 HydrophobicContact CG2-CB 3.69Å; I66-L111 HydrophobicContact CG2-CB 4.25Å; I66-L111 HydrophobicContact CG2-CD2 4.12Å |
| 67 | E | 93.6 | Very high | 89.6 | Confident | 60 Ų | 60 | 35 Ų | 35 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.6 | -174.3 | 175.8 | -158.2 | 0 | 0 | 112.6 | S22 H26 S63 S65 I69 I70 K71 | S22-E67 WeakPolarHBondContact OG-CG 3.5Å; S22-E67 PolarHBondContact OG-OE2 3.03Å; H26-E67 IonicContact CD2-OE1 3.65Å; H26-E67 IonicContact CE1-OE1 3.65Å; H26-E67 VanDerWaalsContact NE2-CD 3.33Å; H26-E67 IonicContact NE2-OE1 2.71Å; H26-E67 PolarHBondContact NE2-OE1 3.44Å; S63-E67 PolarHBondContact O-N 3.26Å; S63-E67 VanDerWaalsContact O-N 3.08Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.18Å; E67-I69 VanDerWaalsContact C-N 3.32Å; E67-I69 PolarHBondContact O-N 2.79Å; E67-I70 PolarHBondContact O-N 3.45Å; E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å |
| 68 | I | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.4 | -67.6 | 162.6 | 0 | 0 | 0 | 111.1 | V18 M21 I25 F37 L46 A64 S65 I66 K71 V72 | V18-I68 HydrophobicContact CG1-CD1 4.07Å; M21-I68 HydrophobicContact CB-CD1 3.91Å; I25-I68 HydrophobicContact CD1-CB 4.3Å; I25-I68 HydrophobicContact CD1-CG1 4.07Å; I25-I68 HydrophobicContact CG1-CG1 4.04Å; I25-I68 HydrophobicContact CG2-CG2 4.44Å; F37-I68 HydrophobicContact CE1-CG2 4.4Å; F37-I68 HydrophobicContact CZ-CG2 3.91Å; L46-I68 HydrophobicContact CD1-CG2 4.37Å; L46-I68 HydrophobicContact CD2-CB 4.45Å; L46-I68 HydrophobicContact CD2-CG2 3.68Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.81Å; A64-I68 VanDerWaalsContact O-N 3.08Å; S65-I68 PolarHBondContact O-N 3.04Å; I66-I68 PolarHBondContact O-N 2.86Å; I68-K71 PolarHBondContact O-N 3Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CB 3.4Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.47Å; I68-V72 VanDerWaalsContact O-N 3.13Å |
| 69 | I | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -51.1 | -178.7 | -67.9 | 162.5 | 0 | 0 | 0 | 110.6 | L46 I47 I50 S65 I66 E67 K71 V72 I73 M83 I88 L111 | L46-I69 HydrophobicContact CD2-CG1 3.73Å; L46-I69 HydrophobicContact CG-CG1 4.36Å; I47-I69 HydrophobicContact CD1-CD1 4.32Å; I50-I69 HydrophobicContact CD1-CD1 3.22Å; I50-I69 HydrophobicContact CD1-CG1 4.13Å; S65-I69 WeakPolarHBondContact O-CD1 3.4Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.18Å; S65-I69 PolarHBondContact O-N 3.15Å; I66-I69 WeakPolarHBondContact O-CB 3.19Å; I66-I69 PolarHBondContact O-N 3.42Å; I66-I69 VanDerWaalsContact O-N 3.13Å; E67-I69 VanDerWaalsContact C-N 3.32Å; E67-I69 PolarHBondContact O-N 2.79Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.24Å; I69-V72 PolarHBondContact O-N 2.98Å; I69-V72 VanDerWaalsContact O-N 3.08Å; I69-I73 HydrophobicContact CG2-CG2 4.4Å; I69-I73 WeakPolarHBondContact O-CG1 3.2Å; I69-I73 PolarHBondContact O-N 3.5Å; I69-M83 HydrophobicContact CB-CE 4.34Å; I69-M83 HydrophobicContact CB-SD 4.39Å; I69-M83 HydrophobicContact CG1-CE 4.21Å; I69-M83 HydrophobicContact CG2-CE 4.12Å; I69-M83 HydrophobicContact CG2-SD 3.54Å; I69-M83 VanDerWaalsContact CG2-SD 3.54Å; I69-I88 HydrophobicContact CD1-CD1 3.44Å; I69-I88 VanDerWaalsContact CD1-CD1 3.44Å; I69-I88 HydrophobicContact CG1-CD1 4.46Å; I69-I88 HydrophobicContact CG2-CD1 4.24Å; I69-L111 HydrophobicContact CB-CD1 4.42Å; I69-L111 HydrophobicContact CG2-CD1 3.37Å; I69-L111 HydrophobicContact CG2-CD2 3.87Å; I69-L111 HydrophobicContact CG2-CG 4.29Å |
| 70 | I | 92.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -51.4 | -52.4 | 179.3 | -74.7 | 168.6 | 0 | 0 | 0 | 109.9 | I66 E67 V72 I73 E74 E110 L111 | I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 3.31Å; E67-I70 PolarHBondContact O-N 3.45Å; I70-V72 VanDerWaalsContact C-N 3.27Å; I70-V72 PolarHBondContact O-N 2.88Å; I70-I73 WeakPolarHBondContact O-CG1 3.49Å; I70-I73 PolarHBondContact O-N 2.94Å; I70-E74 WeakPolarHBondContact O-CG 3.27Å; I70-E74 PolarHBondContact O-N 3.47Å; I70-E74 VanDerWaalsContact O-N 3.11Å; I70-E110 HydrophobicContact CD1-CB 4.13Å; I70-E110 HydrophobicContact CD1-CG 4Å; I70-L111 HydrophobicContact CD1-CB 4.26Å; I70-L111 HydrophobicContact CG1-CB 3.93Å; I70-L111 HydrophobicContact CG1-CD1 4.15Å |
| 71 | K | 91.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 26.5 Ų | 26.5 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | -178.4 | -168.8 | 63.4 | 168.5 | -164 | 0 | 113 | I25 L33 E67 I68 I69 K75 | I25-K71 HydrophobicContact CD1-CB 3.47Å; I25-K71 VanDerWaalsContact CD1-CB 3.47Å; I25-K71 HydrophobicContact CD1-CG 3.79Å; L33-K71 HydrophobicContact CD1-CG 4.12Å; E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å; I68-K71 PolarHBondContact O-N 3Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.24Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å |
| 72 | V | 88.1 | Confident | 88.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.4 | -45.4 | -178.6 | 166.3 | 0 | 0 | 0 | 0 | 111.3 | L33 F37 I68 I69 I70 E74 K75 S76 A79 M83 | L33-V72 HydrophobicContact CD2-CG2 4.5Å; F37-V72 HydrophobicContact CB-CG1 3.38Å; F37-V72 HydrophobicContact CB-CG2 4.31Å; F37-V72 HydrophobicContact CD1-CG1 4.09Å; F37-V72 HydrophobicContact CD1-CG2 4.05Å; F37-V72 HydrophobicContact CD2-CB 4.3Å; F37-V72 HydrophobicContact CD2-CG1 4Å; F37-V72 HydrophobicContact CD2-CG2 3.26Å; F37-V72 HydrophobicContact CE1-CG2 4.16Å; F37-V72 HydrophobicContact CE2-CG2 3.38Å; F37-V72 HydrophobicContact CG-CB 4.26Å; F37-V72 HydrophobicContact CG-CG1 3.56Å; F37-V72 HydrophobicContact CG-CG2 3.61Å; F37-V72 HydrophobicContact CZ-CG2 3.84Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CB 3.4Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.47Å; I68-V72 VanDerWaalsContact O-N 3.13Å; I69-V72 PolarHBondContact O-N 2.98Å; I69-V72 VanDerWaalsContact O-N 3.08Å; I70-V72 VanDerWaalsContact C-N 3.27Å; I70-V72 PolarHBondContact O-N 2.88Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.31Å; V72-K75 PolarHBondContact O-N 3.39Å; V72-K75 VanDerWaalsContact O-N 3.12Å; V72-S76 PolarHBondContact O-N 3.44Å; V72-A79 HydrophobicContact CG1-CB 3.53Å; V72-M83 HydrophobicContact CB-CE 3.96Å; V72-M83 HydrophobicContact CG1-CE 3.56Å |
| 73 | I | 88.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.1 | -30.4 | -179.1 | 64.4 | 172.7 | 0 | 0 | 0 | 112.3 | I69 I70 K75 C80 M83 L111 N114 L115 | I69-I73 HydrophobicContact CG2-CG2 4.4Å; I69-I73 WeakPolarHBondContact O-CG1 3.2Å; I69-I73 PolarHBondContact O-N 3.5Å; I70-I73 WeakPolarHBondContact O-CG1 3.49Å; I70-I73 PolarHBondContact O-N 2.94Å; I73-K75 PolarHBondContact O-N 2.87Å; I73-C80 HydrophobicContact CB-CB 4.06Å; I73-C80 HydrophobicContact CG2-CB 3.97Å; I73-M83 HydrophobicContact CG2-CE 4.28Å; I73-M83 HydrophobicContact CG2-SD 3.25Å; I73-M83 WeakPolarHBondContact CG2-SD 3.5Å; I73-L111 HydrophobicContact CD1-CD1 3.44Å; I73-L111 VanDerWaalsContact CD1-CD1 3.44Å; I73-N114 HydrophobicContact CD1-CB 3.5Å; I73-N114 HydrophobicContact CG1-CB 4.21Å; I73-L115 HydrophobicContact CD1-CD2 3.84Å; I73-L115 HydrophobicContact CD1-CG 4.01Å; I73-L115 HydrophobicContact CG2-CD2 4.36Å |
| 74 | E | 87.7 | Confident | 87.6 | Confident | 75 Ų | 75 | 27.3 Ų | 27.3 | 35% | 0.35 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.1 | 172.2 | -78.2 | 179.3 | 176.4 | 0 | 0 | 113.4 | I70 V72 | I70-E74 WeakPolarHBondContact O-CG 3.27Å; I70-E74 PolarHBondContact O-N 3.47Å; I70-E74 VanDerWaalsContact O-N 3.11Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.31Å |
| 75 | K | 86 | Confident | 87 | Confident | 83 Ų | 83 | 32.7 Ų | 32.7 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -15.9 | -174.5 | -55 | -57 | 170.3 | -156.3 | 0 | 113.6 | L33 K34 K71 V72 I73 | L33-K75 HydrophobicContact CD1-CB 4.44Å; L33-K75 HydrophobicContact CD1-CG 3.94Å; K34-K75 WeakPolarHBondContact CE-O 3.42Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å; V72-K75 PolarHBondContact O-N 3.39Å; V72-K75 VanDerWaalsContact O-N 3.12Å; I73-K75 PolarHBondContact O-N 2.87Å |
| 76 | S | 84.4 | Confident | 86.4 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -144.9 | 109.1 | -178.8 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | E38 V72 K78 A79 C80 | E38-S76 WeakPolarHBondContact CG-OG 3.32Å; E38-S76 PolarHBondContact OE1-OG 2.84Å; V72-S76 PolarHBondContact O-N 3.44Å; S76-K78 PolarHBondContact O-N 3.17Å; S76-A79 PolarHBondContact O-N 2.71Å; S76-A79 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact OG-N 3.42Å; S76-C80 PolarHBondContact O-N 3.34Å | ||
| 77 | S | 82.2 | Confident | 85.9 | Confident | 79 Ų | 79 | 34 Ų | 34 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -59.9 | -36.1 | 171.6 | 55.5 | 0 | 0 | 0 | 0 | 112 | A79 C80 T81 | S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; S77-C80 VanDerWaalsContact O-CB 3.24Å; S77-C80 WeakPolarHBondContact O-CB 3.38Å; S77-C80 PolarHBondContact O-N 3.18Å; S77-T81 PolarHBondContact O-N 2.88Å; S77-T81 PolarHBondContact O-OG1 3.08Å |
| 78 | K | 82.7 | Confident | 85.5 | Confident | 113 Ų | 113 | 31.2 Ų | 31.2 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.7 | -178 | 175.4 | 175.4 | -175.4 | 0 | 112.7 | E38 S76 S82 | E38-K78 HydrophobicContact CB-CD 4.12Å; E38-K78 HydrophobicContact CG-CB 4.26Å; E38-K78 HydrophobicContact CG-CD 4.18Å; E38-K78 HydrophobicContact CG-CG 4.45Å; S76-K78 PolarHBondContact O-N 3.17Å; K78-S82 WeakPolarHBondContact O-CB 3.44Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.47Å |
| 79 | A | 83.7 | Confident | 85 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F37 V72 S76 S77 S82 M83 | F37-A79 HydrophobicContact CB-CB 4.17Å; V72-A79 HydrophobicContact CG1-CB 3.53Å; S76-A79 PolarHBondContact O-N 2.71Å; S76-A79 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact OG-N 3.42Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; A79-S82 PolarHBondContact O-N 2.71Å; A79-M83 WeakPolarHBondContact O-CB 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.48Å; A79-M83 PolarHBondContact O-N 3.46Å |
| 80 | C | 85.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.6 | -54.8 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | I73 S76 S77 S82 M83 I84 L115 M118 | I73-C80 HydrophobicContact CB-CB 4.06Å; I73-C80 HydrophobicContact CG2-CB 3.97Å; S76-C80 PolarHBondContact O-N 3.34Å; S77-C80 VanDerWaalsContact O-CB 3.24Å; S77-C80 WeakPolarHBondContact O-CB 3.38Å; S77-C80 PolarHBondContact O-N 3.18Å; C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.46Å; C80-M83 WeakPolarHBondContact O-CB 3.4Å; C80-M83 PolarHBondContact O-N 2.89Å; C80-M83 VanDerWaalsContact O-N 3.11Å; C80-I84 PolarHBondContact O-N 2.93Å; C80-I84 VanDerWaalsContact O-N 3.16Å; C80-L115 WeakPolarHBondContact SG-CD2 3.17Å; C80-M118 HydrophobicContact CB-CB 4.44Å |
| 81 | T | 81.6 | Confident | 84.2 | Confident | 61 Ų | 61 | 36.9 Ų | 36.9 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.7 | -46.2 | 175.7 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | S77 M83 I84 D85 | S77-T81 PolarHBondContact O-N 2.88Å; S77-T81 PolarHBondContact O-OG1 3.08Å; T81-M83 PolarHBondContact O-N 3.03Å; T81-I84 PolarHBondContact O-N 2.82Å; T81-I84 VanDerWaalsContact O-N 3.15Å; T81-D85 PolarHBondContact O-N 2.74Å |
| 82 | S | 82.6 | Confident | 84 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -29.5 | 179.4 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | K78 A79 C80 A86 | K78-S82 WeakPolarHBondContact O-CB 3.44Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.47Å; A79-S82 PolarHBondContact O-N 2.71Å; C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.46Å; S82-A86 WeakPolarHBondContact O-CB 3.31Å; S82-A86 PolarHBondContact O-N 2.95Å |
| 83 | M | 86.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75 | -36.1 | 177.4 | -76.2 | 171.7 | 176.1 | 0 | 0 | 111.7 | V43 L46 I69 V72 I73 A79 C80 T81 A86 G87 I88 | V43-M83 HydrophobicContact CG1-CB 4.21Å; V43-M83 HydrophobicContact CG1-CG 3.42Å; V43-M83 VanDerWaalsContact CG1-CG 3.42Å; V43-M83 HydrophobicContact CG2-CE 4.47Å; V43-M83 HydrophobicContact CG2-CG 4.48Å; L46-M83 HydrophobicContact CD2-CE 4.38Å; I69-M83 HydrophobicContact CB-CE 4.34Å; I69-M83 HydrophobicContact CB-SD 4.39Å; I69-M83 HydrophobicContact CG1-CE 4.21Å; I69-M83 HydrophobicContact CG2-CE 4.12Å; I69-M83 HydrophobicContact CG2-SD 3.54Å; I69-M83 VanDerWaalsContact CG2-SD 3.54Å; V72-M83 HydrophobicContact CB-CE 3.96Å; V72-M83 HydrophobicContact CG1-CE 3.56Å; I73-M83 HydrophobicContact CG2-CE 4.28Å; I73-M83 HydrophobicContact CG2-SD 3.25Å; I73-M83 WeakPolarHBondContact CG2-SD 3.5Å; A79-M83 WeakPolarHBondContact O-CB 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.48Å; A79-M83 PolarHBondContact O-N 3.46Å; C80-M83 WeakPolarHBondContact O-CB 3.4Å; C80-M83 PolarHBondContact O-N 2.89Å; C80-M83 VanDerWaalsContact O-N 3.11Å; T81-M83 PolarHBondContact O-N 3.03Å; M83-A86 PolarHBondContact O-N 3Å; M83-G87 PolarHBondContact O-N 3.35Å; M83-I88 HydrophobicContact CB-CB 4.22Å; M83-I88 HydrophobicContact CB-CG2 4.16Å; M83-I88 VanDerWaalsContact O-CB 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.14Å; M83-I88 WeakPolarHBondContact O-CG2 3.41Å; M83-I88 PolarHBondContact O-N 3.21Å |
| 84 | I | 82.1 | Confident | 83.4 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 174.3 | -65.7 | 162.7 | 0 | 0 | 0 | 110 | C80 T81 A86 G87 I88 L115 L119 | C80-I84 PolarHBondContact O-N 2.93Å; C80-I84 VanDerWaalsContact O-N 3.16Å; T81-I84 PolarHBondContact O-N 2.82Å; T81-I84 VanDerWaalsContact O-N 3.15Å; I84-A86 PolarHBondContact O-N 3.2Å; I84-A86 VanDerWaalsContact O-N 3.13Å; I84-G87 WeakPolarHBondContact O-CA 3.33Å; I84-G87 PolarHBondContact O-N 3.31Å; I84-I88 HydrophobicContact CG1-CG2 4.08Å; I84-L115 HydrophobicContact CD1-CD2 4.37Å; I84-L115 HydrophobicContact CG1-CD2 4.3Å; I84-L119 HydrophobicContact CD1-CD1 3.35Å; I84-L119 HydrophobicContact CD1-CD2 3.07Å; I84-L119 HydrophobicContact CD1-CG 3.69Å |
| 85 | D | 78.7 | Confident | 83.3 | Confident | 119 Ų | 119 | 33.3 Ų | 33.3 | 64% | 0.636 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -57.5 | -30.6 | 174.9 | -66.1 | -16.3 | 0 | 0 | 0 | 112.6 | T81 G87 | T81-D85 PolarHBondContact O-N 2.74Å; D85-G87 VanDerWaalsContact C-N 3.26Å; D85-G87 PolarHBondContact O-N 3.46Å |
| 86 | A | 80.9 | Confident | 83.1 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -5.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V43 K44 I47 K51 S82 M83 I84 | V43-A86 HydrophobicContact CG1-CB 4.38Å; K44-A86 HydrophobicContact CG-CB 4.36Å; I47-A86 HydrophobicContact CB-CB 4.26Å; I47-A86 HydrophobicContact CG1-CB 3.79Å; I47-A86 HydrophobicContact CG2-CB 4.39Å; I47-A86 WeakPolarHBondContact CG2-O 3.24Å; K51-A86 PolarHBondContact NZ-O 3.35Å; S82-A86 WeakPolarHBondContact O-CB 3.31Å; S82-A86 PolarHBondContact O-N 2.95Å; M83-A86 PolarHBondContact O-N 3Å; I84-A86 PolarHBondContact O-N 3.2Å; I84-A86 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 81.4 | Confident | 83 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M83 I84 D85 I89 I90 F91 | M83-G87 PolarHBondContact O-N 3.35Å; I84-G87 WeakPolarHBondContact O-CA 3.33Å; I84-G87 PolarHBondContact O-N 3.31Å; D85-G87 VanDerWaalsContact C-N 3.26Å; D85-G87 PolarHBondContact O-N 3.46Å; G87-I89 PolarHBondContact O-N 3.05Å; G87-I90 PolarHBondContact O-N 2.99Å; G87-F91 PolarHBondContact O-N 2.95Å |
| 88 | I | 85.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -34.2 | 175 | -171 | 66.4 | 0 | 0 | 0 | 112.2 | I47 I69 M83 I84 I90 F91 I92 L111 L115 | I47-I88 HydrophobicContact CD1-CB 4.2Å; I47-I88 HydrophobicContact CD1-CD1 3.42Å; I47-I88 VanDerWaalsContact CD1-CD1 3.42Å; I47-I88 HydrophobicContact CD1-CG1 4.34Å; I69-I88 HydrophobicContact CD1-CD1 3.44Å; I69-I88 VanDerWaalsContact CD1-CD1 3.44Å; I69-I88 HydrophobicContact CG1-CD1 4.46Å; I69-I88 HydrophobicContact CG2-CD1 4.24Å; M83-I88 HydrophobicContact CB-CB 4.22Å; M83-I88 HydrophobicContact CB-CG2 4.16Å; M83-I88 VanDerWaalsContact O-CB 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.14Å; M83-I88 WeakPolarHBondContact O-CG2 3.41Å; M83-I88 PolarHBondContact O-N 3.21Å; I84-I88 HydrophobicContact CG1-CG2 4.08Å; I88-I90 PolarHBondContact O-N 3.3Å; I88-F91 HydrophobicContact CD1-CD1 3.53Å; I88-F91 HydrophobicContact CD1-CE1 4.19Å; I88-F91 HydrophobicContact CD1-CG 4.43Å; I88-F91 HydrophobicContact CG1-CD1 4.49Å; I88-F91 WeakPolarHBondContact O-CA 3.25Å; I88-F91 WeakPolarHBondContact O-CB 3.25Å; I88-F91 PolarHBondContact O-N 2.96Å; I88-F91 VanDerWaalsContact O-N 3.1Å; I88-I92 HydrophobicContact CG1-CD1 4.2Å; I88-I92 HydrophobicContact CG1-CG1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.07Å; I88-I92 PolarHBondContact O-N 3.06Å; I88-L111 HydrophobicContact CD1-CD2 4.09Å; I88-L111 HydrophobicContact CG1-CD2 4.02Å; I88-L115 HydrophobicContact CG2-CD1 3.84Å |
| 89 | I | 82.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | -178.9 | -54.5 | -57.4 | 0 | 0 | 0 | 112.1 | G87 F91 I92 S93 L112 L115 V127 N132 | G87-I89 PolarHBondContact O-N 3.05Å; I89-F91 VanDerWaalsContact C-N 3.26Å; I89-F91 PolarHBondContact O-N 3.11Å; I89-I92 HydrophobicContact CD1-CD1 4.39Å; I89-I92 PolarHBondContact O-N 3.39Å; I89-S93 PolarHBondContact O-N 3.3Å; I89-S93 PolarHBondContact O-OG 2.91Å; I89-L112 HydrophobicContact CD1-CD2 4.11Å; I89-L115 HydrophobicContact CD1-CD1 3.68Å; I89-V127 HydrophobicContact CD1-CB 4.49Å; I89-V127 HydrophobicContact CD1-CG1 4.06Å; I89-V127 HydrophobicContact CD1-CG2 3.9Å; I89-V127 HydrophobicContact CG1-CG2 4.16Å; I89-N132 HydrophobicContact CG2-CB 4.35Å; I89-N132 VanDerWaalsContact CG2-CG 3.45Å; I89-N132 WeakPolarHBondContact CG2-ND2 3.28Å |
| 90 | I | 81.2 | Confident | 83.2 | Confident | 117 Ų | 117 | 33.1 Ų | 33.1 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.6 | -38.4 | 174.1 | -61 | 171.6 | 0 | 0 | 0 | 110 | G87 I88 S94 | G87-I90 PolarHBondContact O-N 2.99Å; I88-I90 PolarHBondContact O-N 3.3Å; I90-S94 WeakPolarHBondContact O-CB 3.41Å; I90-S94 PolarHBondContact O-N 2.87Å |
| 91 | F | 85.5 | Confident | 83.2 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 175.1 | 159 | -106.1 | 0 | 0 | 0 | 112.2 | I50 A54 V62 I66 G87 I88 I89 S93 S94 C95 | I50-F91 HydrophobicContact CB-CD2 4.5Å; I50-F91 HydrophobicContact CB-CE2 4.33Å; I50-F91 HydrophobicContact CG2-CD1 3.76Å; I50-F91 HydrophobicContact CG2-CD2 3.08Å; I50-F91 HydrophobicContact CG2-CE1 3.56Å; I50-F91 HydrophobicContact CG2-CE2 2.85Å; I50-F91 HydrophobicContact CG2-CG 3.5Å; I50-F91 VanDerWaalsContact CG2-CG 3.5Å; I50-F91 HydrophobicContact CG2-CZ 3.09Å; A54-F91 HydrophobicContact CB-CE2 4.35Å; V62-F91 HydrophobicContact CG1-CZ 4.23Å; I66-F91 HydrophobicContact CD1-CE1 4.44Å; I66-F91 HydrophobicContact CD1-CZ 4.2Å; I66-F91 HydrophobicContact CG1-CE1 3.81Å; I66-F91 HydrophobicContact CG1-CZ 3.84Å; G87-F91 PolarHBondContact O-N 2.95Å; I88-F91 HydrophobicContact CD1-CD1 3.53Å; I88-F91 HydrophobicContact CD1-CE1 4.19Å; I88-F91 HydrophobicContact CD1-CG 4.43Å; I88-F91 HydrophobicContact CG1-CD1 4.49Å; I88-F91 WeakPolarHBondContact O-CA 3.25Å; I88-F91 WeakPolarHBondContact O-CB 3.25Å; I88-F91 PolarHBondContact O-N 2.96Å; I88-F91 VanDerWaalsContact O-N 3.1Å; I89-F91 VanDerWaalsContact C-N 3.26Å; I89-F91 PolarHBondContact O-N 3.11Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.63Å; F91-S94 CarbonylContact O-C 3.6Å; F91-S94 WeakPolarHBondContact O-CB 3.24Å; F91-S94 PolarHBondContact O-N 3.34Å; F91-S94 VanDerWaalsContact O-N 3.1Å; F91-C95 WeakPolarHBondContact CE2-SG 3.48Å; F91-C95 WeakPolarHBondContact CZ-SG 3.48Å; F91-C95 PolarHBondContact O-N 3.5Å |
| 92 | I | 86.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 178.4 | -66.3 | 166.7 | 0 | 0 | 0 | 109.9 | I88 I89 S94 C95 V96 C108 L111 L112 L115 | I88-I92 HydrophobicContact CG1-CD1 4.2Å; I88-I92 HydrophobicContact CG1-CG1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.07Å; I88-I92 PolarHBondContact O-N 3.06Å; I89-I92 HydrophobicContact CD1-CD1 4.39Å; I89-I92 PolarHBondContact O-N 3.39Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 3.13Å; I92-C95 WeakPolarHBondContact O-CB 3.22Å; I92-C95 PolarHBondContact O-N 2.99Å; I92-C95 VanDerWaalsContact O-N 3.12Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.78Å; I92-V96 VanDerWaalsContact O-N 3.09Å; I92-C108 HydrophobicContact CG2-CB 3.9Å; I92-L111 HydrophobicContact CD1-CB 4.41Å; I92-L111 HydrophobicContact CD1-CD2 3.59Å; I92-L111 HydrophobicContact CD1-CG 3.69Å; I92-L111 HydrophobicContact CG1-CD2 3.79Å; I92-L111 HydrophobicContact CG1-CG 4.39Å; I92-L112 HydrophobicContact CD1-CD2 3.67Å; I92-L112 HydrophobicContact CD1-CG 3.87Å; I92-L112 HydrophobicContact CG2-CD1 3.74Å; I92-L112 HydrophobicContact CG2-CD2 4.17Å; I92-L112 HydrophobicContact CG2-CG 3.87Å; I92-L115 HydrophobicContact CD1-CD1 3.95Å |
| 93 | S | 81 | Confident | 83.8 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.9 | -48.8 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 112 | I89 F91 C95 V96 E97 N135 | I89-S93 PolarHBondContact O-N 3.3Å; I89-S93 PolarHBondContact O-OG 2.91Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.63Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 3.26Å; S93-V96 PolarHBondContact O-N 3.47Å; S93-E97 WeakPolarHBondContact O-CG 3.37Å; S93-E97 PolarHBondContact O-N 3.33Å; S93-N135 WeakPolarHBondContact CB-ND2 3.49Å; S93-N135 PolarHBondContact OG-ND2 3.29Å |
| 94 | S | 82.8 | Confident | 84 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.8 | 179 | 0 | 0 | 0 | 0 | 112.5 | I90 F91 I92 E97 N98 | I90-S94 WeakPolarHBondContact O-CB 3.41Å; I90-S94 PolarHBondContact O-N 2.87Å; F91-S94 CarbonylContact O-C 3.6Å; F91-S94 WeakPolarHBondContact O-CB 3.24Å; F91-S94 PolarHBondContact O-N 3.34Å; F91-S94 VanDerWaalsContact O-N 3.1Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 3.13Å; S94-E97 PolarHBondContact O-N 3.23Å; S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 2.91Å; S94-N98 PolarHBondContact O-ND2 2.89Å; S94-N98 PolarHBondContact OG-ND2 2.97Å |
| 95 | C | 86.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 174.9 | -86.1 | 0 | 0 | 0 | 0 | 112.3 | V62 F91 I92 S93 E97 N98 F99 I104 C108 | V62-C95 VanDerWaalsContact CG1-SG 3.53Å; F91-C95 WeakPolarHBondContact CE2-SG 3.48Å; F91-C95 WeakPolarHBondContact CZ-SG 3.48Å; F91-C95 PolarHBondContact O-N 3.5Å; I92-C95 WeakPolarHBondContact O-CB 3.22Å; I92-C95 PolarHBondContact O-N 2.99Å; I92-C95 VanDerWaalsContact O-N 3.12Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 3.26Å; C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 3.11Å; C95-N98 PolarHBondContact O-N 3.13Å; C95-F99 HydrophobicContact CB-CD2 4.33Å; C95-F99 WeakPolarHBondContact O-CB 3.48Å; C95-F99 WeakPolarHBondContact O-CD2 3.07Å; C95-F99 PolarHBondContact O-N 3.08Å; C95-I104 HydrophobicContact CB-CG2 4.16Å; C95-C108 VanDerWaalsContact CB-SG 3.54Å |
| 96 | V | 82.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 111 | I92 S93 C108 L138 L139 R142 | I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.78Å; I92-V96 VanDerWaalsContact O-N 3.09Å; S93-V96 PolarHBondContact O-N 3.47Å; V96-C108 HydrophobicContact CG2-CB 4.36Å; V96-L138 HydrophobicContact CG1-CD2 4.22Å; V96-L139 HydrophobicContact CB-CD2 4.33Å; V96-L139 HydrophobicContact CB-CG 4.3Å; V96-L139 HydrophobicContact CG1-CD2 3.98Å; V96-L139 HydrophobicContact CG1-CG 3.85Å; V96-L139 HydrophobicContact CG2-CD1 3.66Å; V96-L139 HydrophobicContact CG2-CD2 3.37Å; V96-L139 HydrophobicContact CG2-CG 3.45Å; V96-L139 VanDerWaalsContact CG2-CG 3.45Å; V96-R142 PolarHBondContact O-NH1 2.72Å; V96-R142 PolarHBondContact O-NH2 2.74Å |
| 97 | E | 81.5 | Confident | 85.4 | Confident | 119 Ų | 119 | 39.2 Ų | 39.2 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.8 | -38.2 | 177 | -71 | 170 | -170.6 | 0 | 0 | 112.6 | S93 S94 C95 | S93-E97 WeakPolarHBondContact O-CG 3.37Å; S93-E97 PolarHBondContact O-N 3.33Å; S94-E97 PolarHBondContact O-N 3.23Å; C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 3.11Å |
| 98 | N | 84.1 | Confident | 85.8 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -94.5 | -20.9 | -169.8 | -73.2 | -77 | 0 | 0 | 0 | 114.9 | S94 C95 | S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 2.91Å; S94-N98 PolarHBondContact O-ND2 2.89Å; S94-N98 PolarHBondContact OG-ND2 2.97Å; C95-N98 PolarHBondContact O-N 3.13Å |
| 99 | F | 86 | Confident | 85.9 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | trans | -118 | 129.7 | -176.2 | -62.3 | -81.7 | 0 | 0 | 0 | 111.9 | A54 K57 E59 V62 C95 I104 R142 | A54-F99 HydrophobicContact CB-CE2 4.18Å; K57-F99 HydrophobicContact CB-CE1 4.11Å; E59-F99 HydrophobicContact CG-CD1 3.61Å; E59-F99 HydrophobicContact CG-CE1 3.6Å; V62-F99 HydrophobicContact CB-CE2 4.48Å; V62-F99 HydrophobicContact CB-CZ 4.35Å; V62-F99 HydrophobicContact CG1-CE2 4.18Å; V62-F99 HydrophobicContact CG2-CE2 3.98Å; V62-F99 HydrophobicContact CG2-CZ 3.77Å; C95-F99 HydrophobicContact CB-CD2 4.33Å; C95-F99 WeakPolarHBondContact O-CB 3.48Å; C95-F99 WeakPolarHBondContact O-CD2 3.07Å; C95-F99 PolarHBondContact O-N 3.08Å; F99-I104 HydrophobicContact CB-CB 4.31Å; F99-I104 HydrophobicContact CB-CD1 3.91Å; F99-I104 HydrophobicContact CB-CG2 4.06Å; F99-I104 HydrophobicContact CD1-CD1 3.51Å; F99-I104 HydrophobicContact CD2-CD1 4.19Å; F99-I104 HydrophobicContact CD2-CG2 4.24Å; F99-I104 HydrophobicContact CE1-CD1 4Å; F99-I104 HydrophobicContact CG-CD1 3.6Å; F99-I104 HydrophobicContact CG-CG2 4.26Å; F99-R142 PolarHBondContact O-NH1 3.46Å | ||
| 100 | A | 83.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 74% | 0.744 | 24% | 0.244 | S | C | * | . | trans | -90.8 | -4.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N102 | A100-N102 PolarHBondContact O-N 2.8Š| ||
| 101 | S | 85.1 | Confident | 86.8 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -64.6 | 123.2 | -178.6 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | E103 I104 N105 | S101-E103 PolarHBondContact O-N 3.36Å; S101-E103 PolarHBondContact OG-N 3.24Å; S101-I104 PolarHBondContact O-N 3.26Å; S101-N105 PolarHBondContact O-N 3.03Å; S101-N105 VanDerWaalsContact O-N 3.09Å; S101-N105 PolarHBondContact O-ND2 2.78Å; S101-N105 VanDerWaalsContact O-ND2 3.16Å | ||
| 102 | N | 86.1 | Confident | 86.8 | Confident | 98 Ų | 98 | 39.9 Ų | 39.9 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -38 | 174.9 | -72.1 | -15.4 | 0 | 0 | 0 | 111.1 | A100 I104 N105 D106 | A100-N102 PolarHBondContact O-N 2.8Å; N102-I104 PolarHBondContact O-N 3.46Å; N102-N105 PolarHBondContact O-N 3.37Å; N102-D106 WeakPolarHBondContact O-CB 3.33Å; N102-D106 PolarHBondContact O-N 2.99Å |
| 103 | E | 90.2 | Very high | 86.8 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 179.1 | -170.3 | -164.3 | 147.1 | 0 | 0 | 112.1 | S63 S101 N105 D106 K107 | S63-E103 PolarHBondContact OG-OE1 3.38Å; S101-E103 PolarHBondContact O-N 3.36Å; S101-E103 PolarHBondContact OG-N 3.24Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-D106 PolarHBondContact O-N 3.18Å; E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.05Å; E103-K107 IonicContact OE1-NZ 3.73Å; E103-K107 PolarHBondContact OE1-NZ 2.98Å |
| 104 | I | 90.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.3 | -67.2 | 176.3 | 0 | 0 | 0 | 110.2 | E59 V62 I66 C95 F99 S101 N102 K107 C108 | E59-I104 HydrophobicContact CB-CD1 3.81Å; E59-I104 HydrophobicContact CG-CD1 3.68Å; V62-I104 HydrophobicContact CG1-CD1 4.27Å; V62-I104 HydrophobicContact CG1-CG2 4.2Å; I66-I104 HydrophobicContact CD1-CG2 4.21Å; C95-I104 HydrophobicContact CB-CG2 4.16Å; F99-I104 HydrophobicContact CB-CB 4.31Å; F99-I104 HydrophobicContact CB-CD1 3.91Å; F99-I104 HydrophobicContact CB-CG2 4.06Å; F99-I104 HydrophobicContact CD1-CD1 3.51Å; F99-I104 HydrophobicContact CD2-CD1 4.19Å; F99-I104 HydrophobicContact CD2-CG2 4.24Å; F99-I104 HydrophobicContact CE1-CD1 4Å; F99-I104 HydrophobicContact CG-CD1 3.6Å; F99-I104 HydrophobicContact CG-CG2 4.26Å; S101-I104 PolarHBondContact O-N 3.26Å; N102-I104 PolarHBondContact O-N 3.46Å; I104-K107 PolarHBondContact O-N 3.33Å; I104-C108 VanDerWaalsContact O-CB 3.31Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.2Å |
| 105 | N | 88.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 178 | -70.4 | -36.3 | 0 | 0 | 0 | 111.8 | S101 N102 E103 C108 L109 L139 | S101-N105 PolarHBondContact O-N 3.03Å; S101-N105 VanDerWaalsContact O-N 3.09Å; S101-N105 PolarHBondContact O-ND2 2.78Å; S101-N105 VanDerWaalsContact O-ND2 3.16Å; N102-N105 PolarHBondContact O-N 3.37Å; E103-N105 VanDerWaalsContact C-N 3.34Å; N105-C108 WeakPolarHBondContact O-CB 3.34Å; N105-C108 PolarHBondContact O-N 2.99Å; N105-L109 PolarHBondContact O-N 2.86Å; N105-L139 HydrophobicContact CB-CD2 3.99Å |
| 106 | D | 89.8 | Confident | 87 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -49.5 | 174.7 | -75.7 | -29.1 | 0 | 0 | 0 | 111 | N102 E103 C108 L109 E110 L143 | N102-D106 WeakPolarHBondContact O-CB 3.33Å; N102-D106 PolarHBondContact O-N 2.99Å; E103-D106 PolarHBondContact O-N 3.18Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 2.97Å; D106-L109 PolarHBondContact O-N 3.42Å; D106-L109 VanDerWaalsContact O-N 3.17Å; D106-E110 PolarHBondContact O-N 3.28Å; D106-L143 WeakPolarHBondContact OD1-CD2 3.39Å |
| 107 | K | 91.9 | Very high | 86.9 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 177.3 | -73.2 | -178.9 | 174.4 | 171.7 | 0 | 112.4 | S63 I66 E103 I104 L111 | S63-K107 PolarHBondContact OG-NZ 3.4Å; I66-K107 HydrophobicContact CB-CB 4.33Å; I66-K107 HydrophobicContact CD1-CB 4.45Å; I66-K107 HydrophobicContact CG2-CB 3.69Å; E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.05Å; E103-K107 IonicContact OE1-NZ 3.73Å; E103-K107 PolarHBondContact OE1-NZ 2.98Å; I104-K107 PolarHBondContact O-N 3.33Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 2.93Å |
| 108 | C | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.5 | -76.4 | 0 | 0 | 0 | 0 | 111.7 | I92 C95 V96 I104 N105 D106 L111 L112 | I92-C108 HydrophobicContact CG2-CB 3.9Å; C95-C108 VanDerWaalsContact CB-SG 3.54Å; V96-C108 HydrophobicContact CG2-CB 4.36Å; I104-C108 VanDerWaalsContact O-CB 3.31Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.2Å; N105-C108 WeakPolarHBondContact O-CB 3.34Å; N105-C108 PolarHBondContact O-N 2.99Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 2.97Å; C108-L111 PolarHBondContact O-N 3.22Å; C108-L112 WeakPolarHBondContact O-CG 3.35Å; C108-L112 PolarHBondContact O-N 3.32Å |
| 109 | L | 87.5 | Confident | 85.8 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 176.7 | -177.6 | 68.6 | 0 | 0 | 0 | 111.8 | N105 D106 L111 L112 T113 L143 | N105-L109 PolarHBondContact O-N 2.86Å; D106-L109 PolarHBondContact O-N 3.42Å; D106-L109 VanDerWaalsContact O-N 3.17Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.97Å; L109-L112 PolarHBondContact O-N 3.26Å; L109-T113 WeakPolarHBondContact O-CB 3.46Å; L109-T113 PolarHBondContact O-N 2.9Å; L109-T113 PolarHBondContact O-OG1 3.49Å; L109-L143 HydrophobicContact CB-CD1 3.97Å; L109-L143 HydrophobicContact CD2-CD1 3.25Å; L109-L143 HydrophobicContact CG-CD1 4.1Å |
| 110 | E | 90.8 | Very high | 84.8 | Confident | 90 Ų | 90 | 49 Ų | 49 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 175 | -176.7 | -177.6 | 171.5 | 0 | 0 | 110.4 | I70 D106 L112 T113 N114 | I70-E110 HydrophobicContact CD1-CB 4.13Å; I70-E110 HydrophobicContact CD1-CG 4Å; D106-E110 PolarHBondContact O-N 3.28Å; E110-L112 PolarHBondContact O-N 2.9Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.4Å; E110-N114 WeakPolarHBondContact O-CB 3.24Å; E110-N114 PolarHBondContact O-N 3.49Å |
| 111 | L | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -48 | 175.7 | 176.5 | 55.2 | 0 | 0 | 0 | 111.9 | I66 I69 I70 I73 I88 I92 K107 C108 L109 T113 N114 L115 | I66-L111 HydrophobicContact CG2-CB 4.25Å; I66-L111 HydrophobicContact CG2-CD2 4.12Å; I69-L111 HydrophobicContact CB-CD1 4.42Å; I69-L111 HydrophobicContact CG2-CD1 3.37Å; I69-L111 HydrophobicContact CG2-CD2 3.87Å; I69-L111 HydrophobicContact CG2-CG 4.29Å; I70-L111 HydrophobicContact CD1-CB 4.26Å; I70-L111 HydrophobicContact CG1-CB 3.93Å; I70-L111 HydrophobicContact CG1-CD1 4.15Å; I73-L111 HydrophobicContact CD1-CD1 3.44Å; I73-L111 VanDerWaalsContact CD1-CD1 3.44Å; I88-L111 HydrophobicContact CD1-CD2 4.09Å; I88-L111 HydrophobicContact CG1-CD2 4.02Å; I92-L111 HydrophobicContact CD1-CB 4.41Å; I92-L111 HydrophobicContact CD1-CD2 3.59Å; I92-L111 HydrophobicContact CD1-CG 3.69Å; I92-L111 HydrophobicContact CG1-CD2 3.79Å; I92-L111 HydrophobicContact CG1-CG 4.39Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 2.93Å; C108-L111 PolarHBondContact O-N 3.22Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.97Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.33Å; L111-N114 PolarHBondContact O-N 3.37Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CG-CG 4.47Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.09Å |
| 112 | L | 87.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.6 | -75.2 | 167.2 | 0 | 0 | 0 | 112.4 | I89 I92 C108 L109 E110 L115 S116 I136 L139 | I89-L112 HydrophobicContact CD1-CD2 4.11Å; I92-L112 HydrophobicContact CD1-CD2 3.67Å; I92-L112 HydrophobicContact CD1-CG 3.87Å; I92-L112 HydrophobicContact CG2-CD1 3.74Å; I92-L112 HydrophobicContact CG2-CD2 4.17Å; I92-L112 HydrophobicContact CG2-CG 3.87Å; C108-L112 WeakPolarHBondContact O-CG 3.35Å; C108-L112 PolarHBondContact O-N 3.32Å; L109-L112 PolarHBondContact O-N 3.26Å; E110-L112 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 2.91Å; L112-S116 WeakPolarHBondContact O-CB 3.18Å; L112-S116 PolarHBondContact O-N 3.2Å; L112-S116 PolarHBondContact O-OG 3.27Å; L112-I136 HydrophobicContact CD1-CG1 4.02Å; L112-L139 HydrophobicContact CD1-CD1 3.53Å |
| 113 | T | 86.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | L109 E110 L111 L115 S116 S117 | L109-T113 WeakPolarHBondContact O-CB 3.46Å; L109-T113 PolarHBondContact O-N 2.9Å; L109-T113 PolarHBondContact O-OG1 3.49Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.4Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.33Å; T113-L115 PolarHBondContact O-N 2.96Å; T113-S116 PolarHBondContact O-N 2.87Å; T113-S116 PolarHBondContact O-OG 3.43Å; T113-S117 PolarHBondContact O-N 3.23Å |
| 114 | N | 87.9 | Confident | 79.7 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.6 | -75.1 | 0.6 | 0 | 0 | 0 | 111.7 | I73 E110 L111 S117 M118 | I73-N114 HydrophobicContact CD1-CB 3.5Å; I73-N114 HydrophobicContact CG1-CB 4.21Å; E110-N114 WeakPolarHBondContact O-CB 3.24Å; E110-N114 PolarHBondContact O-N 3.49Å; L111-N114 PolarHBondContact O-N 3.37Å; N114-S117 PolarHBondContact O-N 2.91Å; N114-S117 PolarHBondContact O-OG 3.45Å; N114-M118 WeakPolarHBondContact O-CG 3.45Å; N114-M118 PolarHBondContact O-N 3.13Å |
| 115 | L | 85.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 172.5 | -69 | 173.5 | 0 | 0 | 0 | 110.3 | I73 C80 I84 I88 I89 I92 L111 L112 T113 S117 M118 L119 | I73-L115 HydrophobicContact CD1-CD2 3.84Å; I73-L115 HydrophobicContact CD1-CG 4.01Å; I73-L115 HydrophobicContact CG2-CD2 4.36Å; C80-L115 WeakPolarHBondContact SG-CD2 3.17Å; I84-L115 HydrophobicContact CD1-CD2 4.37Å; I84-L115 HydrophobicContact CG1-CD2 4.3Å; I88-L115 HydrophobicContact CG2-CD1 3.84Å; I89-L115 HydrophobicContact CD1-CD1 3.68Å; I92-L115 HydrophobicContact CD1-CD1 3.95Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CG-CG 4.47Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 2.91Å; T113-L115 PolarHBondContact O-N 2.96Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.08Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CB-CD1 4.49Å; L115-L119 WeakPolarHBondContact O-CD1 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.49Å |
| 116 | S | 80.4 | Confident | 77 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | -177.6 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | L112 T113 M118 | L112-S116 WeakPolarHBondContact O-CB 3.18Å; L112-S116 PolarHBondContact O-N 3.2Å; L112-S116 PolarHBondContact O-OG 3.27Å; T113-S116 PolarHBondContact O-N 2.87Å; T113-S116 PolarHBondContact O-OG 3.43Å; S116-M118 VanDerWaalsContact C-N 3.34Å |
| 117 | S | 81.3 | Confident | 75.5 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -75.5 | -19.8 | 178.7 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | T113 N114 L115 | T113-S117 PolarHBondContact O-N 3.23Å; N114-S117 PolarHBondContact O-N 2.91Å; N114-S117 PolarHBondContact O-OG 3.45Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.08Å |
| 118 | M | 75.5 | Confident | 74.1 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -100 | -8.4 | -174.8 | -69.9 | -68.9 | 155.5 | 0 | 0 | 113.4 | C80 N114 L115 S116 | C80-M118 HydrophobicContact CB-CB 4.44Å; N114-M118 WeakPolarHBondContact O-CG 3.45Å; N114-M118 PolarHBondContact O-N 3.13Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-N 3.08Å; S116-M118 VanDerWaalsContact C-N 3.34Å |
| 119 | L | 67.3 | Low | 73 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -99.4 | 144.2 | -172 | -70.4 | 171.4 | 0 | 0 | 0 | 112.9 | I84 L115 L124 V127 | I84-L119 HydrophobicContact CD1-CD1 3.35Å; I84-L119 HydrophobicContact CD1-CD2 3.07Å; I84-L119 HydrophobicContact CD1-CG 3.69Å; L115-L119 HydrophobicContact CB-CD1 4.49Å; L115-L119 WeakPolarHBondContact O-CD1 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.49Å; L119-L124 HydrophobicContact CB-CD2 4.2Å; L119-L124 HydrophobicContact CB-CG 3.9Å; L119-L124 HydrophobicContact CD1-CD2 4.39Å; L119-V127 HydrophobicContact CD1-CG2 3.73Å | ||
| 120 | D | 64.2 | Low | 71.9 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -71.7 | 164.6 | 163.2 | 63.4 | 21.6 | 0 | 0 | 0 | 111 | N122 S123 L124 | D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 VanDerWaalsContact O-N 3.1Å; D120-N122 PolarHBondContact OD1-N 3.1Å; D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 VanDerWaalsContact O-N 3.14Å; D120-S123 WeakPolarHBondContact OD1-CB 3.42Å; D120-S123 PolarHBondContact OD1-N 3.16Å; D120-S123 PolarHBondContact OD1-OG 3.37Å; D120-L124 PolarHBondContact O-N 2.92Å | ||
| 121 | C | 57 | Low | 70.9 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 66% | 0.662 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.4 | -31 | -177.4 | -68 | 0 | 0 | 0 | 0 | 113.7 | Q125 | C121-Q125 PolarHBondContact O-N 3.35Å |
| 122 | N | 60.1 | Low | 69.8 | Low | 118 Ų | 118 | 65.3 Ų | 65.3 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.4 | -45.9 | -179.6 | -65.6 | -25 | 0 | 0 | 0 | 110.7 | D120 L124 Q125 | D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 VanDerWaalsContact O-N 3.1Å; D120-N122 PolarHBondContact OD1-N 3.1Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 2.75Å; N122-Q125 WeakPolarHBondContact O-CB 3.33Å; N122-Q125 PolarHBondContact O-N 2.71Å |
| 123 | S | 59.4 | Low | 69 | Low | 26 Ų | 26 | 66.4 Ų | 66.4 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.2 | -29.5 | 178.5 | -45 | 0 | 0 | 0 | 0 | 111.7 | D120 Q125 E126 V127 | D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 VanDerWaalsContact O-N 3.14Å; D120-S123 WeakPolarHBondContact OD1-CB 3.42Å; D120-S123 PolarHBondContact OD1-N 3.16Å; D120-S123 PolarHBondContact OD1-OG 3.37Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 2.95Å; S123-E126 PolarHBondContact O-N 3.12Å; S123-V127 PolarHBondContact O-N 3.27Å |
| 124 | L | 61.3 | Low | 68.3 | Low | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 170.7 | -76.9 | 168.7 | 0 | 0 | 0 | 112.7 | L119 D120 N122 E126 V127 Y128 | L119-L124 HydrophobicContact CB-CD2 4.2Å; L119-L124 HydrophobicContact CB-CG 3.9Å; L119-L124 HydrophobicContact CD1-CD2 4.39Å; D120-L124 PolarHBondContact O-N 2.92Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 2.75Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.45Å; L124-V127 WeakPolarHBondContact O-CA 3.35Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 PolarHBondContact O-N 3.08Å; L124-V127 VanDerWaalsContact O-N 3.07Å; L124-Y128 HydrophobicContact CB-CD2 4.42Å; L124-Y128 HydrophobicContact CD2-CE2 4.08Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.3Å; L124-Y128 PolarHBondContact O-N 3.35Å |
| 125 | Q | 61 | Low | 67.5 | Low | 145 Ų | 145 | 67.7 Ų | 67.7 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.2 | -34.6 | 178.2 | -75.9 | -178.6 | -6.3 | 0 | 0 | 112.6 | C121 N122 S123 V127 Y128 | C121-Q125 PolarHBondContact O-N 3.35Å; N122-Q125 WeakPolarHBondContact O-CB 3.33Å; N122-Q125 PolarHBondContact O-N 2.71Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 2.95Å; Q125-V127 VanDerWaalsContact C-N 3.3Å; Q125-Y128 CarbonylContact O-C 3.5Å; Q125-Y128 PolarHBondContact O-N 3.02Å |
| 126 | E | 60.7 | Low | 66.7 | Low | 118 Ų | 118 | 69.4 Ų | 69.4 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68 | -32.6 | 173.4 | -64.9 | -171.2 | 171.7 | 0 | 0 | 112.1 | S123 L124 T129 N132 | S123-E126 PolarHBondContact O-N 3.12Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.45Å; E126-T129 WeakPolarHBondContact O-CG2 3.37Å; E126-N132 PolarHBondContact O-ND2 3.47Å |
| 127 | V | 59.2 | Low | 66.3 | Low | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.024 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | I89 L119 S123 L124 Q125 T129 N132 | I89-V127 HydrophobicContact CD1-CB 4.49Å; I89-V127 HydrophobicContact CD1-CG1 4.06Å; I89-V127 HydrophobicContact CD1-CG2 3.9Å; I89-V127 HydrophobicContact CG1-CG2 4.16Å; L119-V127 HydrophobicContact CD1-CG2 3.73Å; S123-V127 PolarHBondContact O-N 3.27Å; L124-V127 WeakPolarHBondContact O-CA 3.35Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 PolarHBondContact O-N 3.08Å; L124-V127 VanDerWaalsContact O-N 3.07Å; Q125-V127 VanDerWaalsContact C-N 3.3Å; V127-T129 PolarHBondContact O-N 3.11Å; V127-N132 WeakPolarHBondContact O-CB 3.32Å; V127-N132 PolarHBondContact O-ND2 2.87Å |
| 128 | Y | 62.3 | Low | 65.9 | Low | 126 Ų | 126 | 74.4 Ų | 74.4 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 41.1 | -177.2 | -73 | -71.9 | 0 | 0 | 0 | 114.2 | L124 Q125 V133 I136 | L124-Y128 HydrophobicContact CB-CD2 4.42Å; L124-Y128 HydrophobicContact CD2-CE2 4.08Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.3Å; L124-Y128 PolarHBondContact O-N 3.35Å; Q125-Y128 CarbonylContact O-C 3.5Å; Q125-Y128 PolarHBondContact O-N 3.02Å; Y128-V133 HydrophobicContact CD1-CG2 3.93Å; Y128-I136 HydrophobicContact CD1-CD1 4.44Å; Y128-I136 HydrophobicContact CE1-CD1 4.14Å |
| 129 | T | 67.5 | Low | 65.6 | Low | 58 Ų | 58 | 70.1 Ų | 70.1 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | trans | -65.3 | 155.2 | 163 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | E126 V127 S131 N132 V133 | E126-T129 WeakPolarHBondContact O-CG2 3.37Å; V127-T129 PolarHBondContact O-N 3.11Å; T129-S131 PolarHBondContact O-N 3.27Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; T129-N132 PolarHBondContact O-N 2.95Å; T129-N132 PolarHBondContact OG1-ND2 3.01Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å | ||
| 130 | S | 64.2 | Low | 65.8 | Low | 109 Ų | 109 | 72 Ų | 72 | 76% | 0.762 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55.1 | -37.2 | -177.1 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | E134 | S130-E134 PolarHBondContact O-N 3.18Å |
| 131 | S | 69.7 | Low | 66.2 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.2 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | T129 E134 N135 | T129-S131 PolarHBondContact O-N 3.27Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; S131-E134 PolarHBondContact O-N 2.91Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 VanDerWaalsContact O-N 3.11Å |
| 132 | N | 68.7 | Low | 66.9 | Low | 16 Ų | 16 | 69.7 Ų | 69.7 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | -179.5 | -64.7 | -18.1 | 0 | 0 | 0 | 111.5 | I89 E126 V127 T129 E134 N135 I136 | I89-N132 HydrophobicContact CG2-CB 4.35Å; I89-N132 VanDerWaalsContact CG2-CG 3.45Å; I89-N132 WeakPolarHBondContact CG2-ND2 3.28Å; E126-N132 PolarHBondContact O-ND2 3.47Å; V127-N132 WeakPolarHBondContact O-CB 3.32Å; V127-N132 PolarHBondContact O-ND2 2.87Å; T129-N132 PolarHBondContact O-N 2.95Å; T129-N132 PolarHBondContact OG1-ND2 3.01Å; N132-E134 VanDerWaalsContact C-N 3.28Å; N132-E134 PolarHBondContact O-N 3.43Å; N132-N135 PolarHBondContact O-N 3.5Å; N132-I136 WeakPolarHBondContact O-CB 3.3Å; N132-I136 WeakPolarHBondContact O-CG1 3.22Å; N132-I136 PolarHBondContact O-N 2.92Å |
| 133 | V | 70.5 | Confident | 67.3 | Low | 41 Ų | 41 | 65.4 Ų | 65.4 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | Y128 T129 I136 R137 | Y128-V133 HydrophobicContact CD1-CG2 3.93Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å; V133-I136 PolarHBondContact O-N 3.12Å; V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 3.04Å |
| 134 | E | 71.3 | Confident | 67.8 | Low | 106 Ų | 106 | 69.1 Ų | 69.1 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 178.3 | -167 | 57.8 | -156.8 | 0 | 0 | 112 | S130 S131 N132 I136 R137 L138 | S130-E134 PolarHBondContact O-N 3.18Å; S131-E134 PolarHBondContact O-N 2.91Å; N132-E134 VanDerWaalsContact C-N 3.28Å; N132-E134 PolarHBondContact O-N 3.43Å; E134-I136 PolarHBondContact O-N 3.23Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å; E134-R137 PolarHBondContact O-N 3.14Å; E134-R137 IonicContact OE2-NH1 2.8Å; E134-L138 WeakPolarHBondContact O-CB 3.19Å; E134-L138 PolarHBondContact O-N 2.94Å |
| 135 | N | 69.3 | Low | 67.7 | Low | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 174.9 | -71.6 | -19.6 | 0 | 0 | 0 | 112.7 | S93 S131 N132 L138 L139 | S93-N135 WeakPolarHBondContact CB-ND2 3.49Å; S93-N135 PolarHBondContact OG-ND2 3.29Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 VanDerWaalsContact O-N 3.11Å; N132-N135 PolarHBondContact O-N 3.5Å; N135-L138 PolarHBondContact O-N 2.92Å; N135-L139 WeakPolarHBondContact O-CB 3.43Å; N135-L139 PolarHBondContact O-N 3.23Å |
| 136 | I | 69.5 | Low | 67.3 | Low | 36 Ų | 36 | 65.1 Ų | 65.1 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.9 | -68.3 | 165.2 | 0 | 0 | 0 | 110.2 | L112 Y128 N132 V133 E134 L139 T140 | L112-I136 HydrophobicContact CD1-CG1 4.02Å; Y128-I136 HydrophobicContact CD1-CD1 4.44Å; Y128-I136 HydrophobicContact CE1-CD1 4.14Å; N132-I136 WeakPolarHBondContact O-CB 3.3Å; N132-I136 WeakPolarHBondContact O-CG1 3.22Å; N132-I136 PolarHBondContact O-N 2.92Å; V133-I136 PolarHBondContact O-N 3.12Å; E134-I136 PolarHBondContact O-N 3.23Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 3.31Å; I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 2.89Å |
| 137 | R | 72.1 | Confident | 66.7 | Low | 158 Ų | 158 | 68.1 Ų | 68.1 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 175.1 | -76.3 | 174.2 | 176.5 | 176.1 | -1.6 | 111.9 | V133 E134 L139 T140 A141 | V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 3.04Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å; E134-R137 PolarHBondContact O-N 3.14Å; E134-R137 IonicContact OE2-NH1 2.8Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.36Å; R137-T140 PolarHBondContact O-N 3.09Å; R137-A141 WeakPolarHBondContact O-CB 3.35Å; R137-A141 PolarHBondContact O-N 3.29Å |
| 138 | L | 73.2 | Confident | 66 | Low | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.346 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.1 | -175.9 | 67.4 | 0 | 0 | 0 | 111.4 | V96 E134 N135 A141 R142 | V96-L138 HydrophobicContact CG1-CD2 4.22Å; E134-L138 WeakPolarHBondContact O-CB 3.19Å; E134-L138 PolarHBondContact O-N 2.94Å; N135-L138 PolarHBondContact O-N 2.92Å; L138-A141 PolarHBondContact O-N 2.93Å; L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 2.95Å |
| 139 | L | 68.9 | Low | 65.1 | Low | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.2 | -54.8 | 172.2 | -90.3 | 171.9 | 0 | 0 | 0 | 111.5 | V96 N105 L112 N135 I136 R137 A141 R142 L143 | V96-L139 HydrophobicContact CB-CD2 4.33Å; V96-L139 HydrophobicContact CB-CG 4.3Å; V96-L139 HydrophobicContact CG1-CD2 3.98Å; V96-L139 HydrophobicContact CG1-CG 3.85Å; V96-L139 HydrophobicContact CG2-CD1 3.66Å; V96-L139 HydrophobicContact CG2-CD2 3.37Å; V96-L139 HydrophobicContact CG2-CG 3.45Å; V96-L139 VanDerWaalsContact CG2-CG 3.45Å; N105-L139 HydrophobicContact CB-CD2 3.99Å; L112-L139 HydrophobicContact CD1-CD1 3.53Å; N135-L139 WeakPolarHBondContact O-CB 3.43Å; N135-L139 PolarHBondContact O-N 3.23Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 3.31Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.36Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.05Å; L139-R142 PolarHBondContact O-N 2.95Å; L139-L143 WeakPolarHBondContact O-CB 2.95Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.36Å |
| 140 | T | 71.6 | Confident | 63.9 | Low | 59 Ų | 59 | 78.6 Ų | 78.6 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -40 | -180 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | I136 R137 L143 N144 | I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 2.89Å; R137-T140 PolarHBondContact O-N 3.09Å; T140-L143 PolarHBondContact O-N 3.07Å; T140-N144 WeakPolarHBondContact O-CB 3.31Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.14Å |
| 141 | A | 73.8 | Confident | 62.6 | Low | 60 Ų | 60 | 81.8 Ų | 81.8 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R137 L138 L139 N144 G145 | R137-A141 WeakPolarHBondContact O-CB 3.35Å; R137-A141 PolarHBondContact O-N 3.29Å; L138-A141 PolarHBondContact O-N 2.93Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.05Å; A141-N144 PolarHBondContact O-N 3.33Å; A141-G145 PolarHBondContact O-N 3.22Å |
| 142 | R | 71.3 | Confident | 61 | Low | 84 Ų | 84 | 83.7 Ų | 83.7 | 32% | 0.317 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.9 | -74.7 | 178.9 | 179.3 | -176.5 | 4.4 | 112.1 | V96 F99 L138 L139 G146 | V96-R142 PolarHBondContact O-NH1 2.72Å; V96-R142 PolarHBondContact O-NH2 2.74Å; F99-R142 PolarHBondContact O-NH1 3.46Å; L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 2.95Å; L139-R142 PolarHBondContact O-N 2.95Å; R142-G146 PolarHBondContact O-N 3.26Å |
| 143 | L | 67.4 | Low | 59.7 | Low | 27 Ų | 27 | 90.3 Ų | 90.3 | 14% | 0.141 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.2 | -35.9 | -179.7 | -67.8 | 173.1 | 0 | 0 | 0 | 113 | D106 L109 L139 T140 | D106-L143 WeakPolarHBondContact OD1-CD2 3.39Å; L109-L143 HydrophobicContact CB-CD1 3.97Å; L109-L143 HydrophobicContact CD2-CD1 3.25Å; L109-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 2.95Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.36Å; T140-L143 PolarHBondContact O-N 3.07Å |
| 144 | N | 70.6 | Confident | 58.2 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.6 | -34.7 | 175.1 | -69.8 | -20.7 | 0 | 0 | 0 | 112.1 | T140 A141 G146 K147 | T140-N144 WeakPolarHBondContact O-CB 3.31Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.14Å; A141-N144 PolarHBondContact O-N 3.33Å; N144-G146 VanDerWaalsContact C-N 3.32Å; N144-G146 PolarHBondContact O-N 2.79Å; N144-K147 PolarHBondContact O-N 3.46Å |
| 145 | G | 59.8 | Low | 56.8 | Low | 45 Ų | 45 | 94.5 Ų | 94.5 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -28.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A141 K147 | A141-G145 PolarHBondContact O-N 3.22Å; G145-K147 VanDerWaalsContact C-N 3.34Å |
| 146 | G | 51.1 | Low | 55.9 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 58% | 0.577 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -8.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R142 N144 | R142-G146 PolarHBondContact O-N 3.26Å; N144-G146 VanDerWaalsContact C-N 3.32Å; N144-G146 PolarHBondContact O-N 2.79Å |
| 147 | K | 49.1 | Very low | 55 | Low | 180 Ų | 180 | 102.4 Ų | 102.4 | 78% | 0.783 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -9.4 | 178.8 | -78.5 | -177.7 | 177.3 | 175.2 | 0 | 114.1 | N144 G145 | N144-K147 PolarHBondContact O-N 3.46Å; G145-K147 VanDerWaalsContact C-N 3.34Å |
| 148 | A | 43.2 | Very low | 54 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 60% | 0.603 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -7.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 149 | D | 43.7 | Very low | 52.5 | Low | 153 Ų | 153 | 102.6 Ų | 102.6 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 15.4 | -171.1 | -70.1 | -21.8 | 0 | 0 | 0 | 115.3 | ||
| 150 | H | 42.1 | Very low | 52.5 | Low | 183 Ų | 183 | 108.4 Ų | 108.4 | 85% | 0.847 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.9 | 8 | -174.5 | -128.8 | -64.2 | 0 | 0 | 0 | 117.7 | ||
| 151 | E | 37.1 | Very low | 51.9 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -132.2 | 120.9 | 174 | -76.8 | -175.6 | 130.5 | 0 | 0 | 112.4 | ||
| 152 | S | 36 | Very low | 50.8 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 78.3 | 127.7 | 151.9 | 85 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 153 | I | 41.6 | Very low | 49.8 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | cis | -162.4 | 127 | 15.9 | -84.5 | 133.2 | 0 | 0 | 0 | 106.5 | ||||
| 154 | S | 39.7 | Very low | 48.8 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -86 | 170 | 158.4 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 155 | P | 42.1 | Very low | 47.5 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | -114.9 | 144.2 | -76.2 | 32.7 | -17.9 | 0 | 0 | 0 | 110.7 | |||||
| 156 | S | 49.4 | Very low | 46.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -104.3 | 115.1 | 168 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 157 | S | 51.1 | Low | 46.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -64.9 | 139.5 | -178.9 | 41.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 158 | S | 50.4 | Low | 46.3 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | 64.4 | 171.2 | 131 | -53.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 159 | P | 42.6 | Very low | 46.5 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | cis | -134.1 | 160.4 | -40.1 | 33.1 | -16.1 | 0 | 0 | 0 | 113 | ||||
| 160 | S | 68.2 | Low | 46.7 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | -177.1 | 130.3 | 160.1 | -66.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 161 | E | 60.6 | Low | 47.1 | Very low | 272 Ų | 272 | 138.6 Ų | 138.6 | 100% | 1.271 | 84% | 0.838 | S | S | * | * | cis | -132.4 | 0 | 11.4 | -73.8 | 173.9 | 113.7 | 0 | 0 | 110.8 |
Retrieved 161 of 161 residues in 103.1 ms
(Link to these results)