| 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 | 62.2 | Low | 79.5 | Confident | 207 Ų | 207 | 119.5 Ų | 119.5 | 100% | 1.02 | 62% | 0.621 | S | S | * | * | 0 | -52.5 | 0 | -69.5 | 174.7 | 78.9 | 0 | 0 | 113 | L3 M4 V5 | M1-L3 PolarHBondContact O-N 3.44Å; M1-M4 PolarHBondContact O-N 3.45Å; M1-V5 PolarHBondContact O-N 3.3Å | |||
| 2 | K | 73.6 | Confident | 79.3 | Confident | 196 Ų | 196 | 117.6 Ų | 117.6 | 85% | 0.852 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.7 | -40.5 | -179.1 | -69.4 | 179.5 | 175.8 | 178.6 | 0 | 115 | V5 L6 | K2-V5 PolarHBondContact O-N 3.13Å; K2-L6 PolarHBondContact O-N 2.96Å; K2-L6 VanDerWaalsContact O-N 3.13Å |
| 3 | L | 77.6 | Confident | 79.1 | Confident | 136 Ų | 136 | 115.2 Ų | 115.2 | 71% | 0.712 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -41.8 | 179 | -165.8 | 83.8 | 0 | 0 | 0 | 112.7 | M1 V5 L6 V7 | M1-L3 PolarHBondContact O-N 3.44Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 3.24Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 2.98Å; L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.2Å |
| 4 | M | 80.8 | Confident | 78.5 | Confident | 146 Ų | 146 | 115.1 Ų | 115.1 | 72% | 0.719 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.2 | -41.7 | 177.1 | -93.1 | -88.7 | 170.1 | 0 | 0 | 111.4 | M1 V7 F8 | M1-M4 PolarHBondContact O-N 3.45Å; M4-V7 PolarHBondContact O-N 3.45Å; M4-F8 WeakPolarHBondContact O-CB 3.34Å; M4-F8 PolarHBondContact O-N 3.22Å |
| 5 | V | 82.9 | Confident | 77.8 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.6 | -43.9 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | M1 K2 L3 V7 F8 T9 | M1-V5 PolarHBondContact O-N 3.3Å; K2-V5 PolarHBondContact O-N 3.13Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 3.24Å; V5-V7 PolarHBondContact O-N 3.39Å; V5-F8 PolarHBondContact O-N 2.94Å; V5-T9 HydrophobicContact CG1-CG2 4.39Å; V5-T9 WeakPolarHBondContact O-CG2 3.38Å; V5-T9 PolarHBondContact O-N 2.92Å; V5-T9 PolarHBondContact O-OG1 2.95Å; V5-T9 VanDerWaalsContact O-OG1 3.11Å |
| 6 | L | 84.9 | Confident | 76.9 | Confident | 98 Ų | 98 | 116.8 Ų | 116.8 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.3 | -47.7 | 178.3 | -163.9 | 86.6 | 0 | 0 | 0 | 111.7 | K2 L3 F8 T9 I10 | K2-L6 PolarHBondContact O-N 2.96Å; K2-L6 VanDerWaalsContact O-N 3.13Å; L3-L6 WeakPolarHBondContact O-CB 3.42Å; L3-L6 PolarHBondContact O-N 2.98Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.47Å; L6-T9 WeakPolarHBondContact CA-OG1 3.4Å; L6-T9 PolarHBondContact O-N 3.49Å; L6-T9 PolarHBondContact O-OG1 3.47Å; L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.26Å |
| 7 | V | 85.4 | Confident | 75.9 | Confident | 93 Ų | 93 | 118.1 Ų | 118.1 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.3 | -41.2 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L3 M4 V5 I10 G11 | L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.2Å; M4-V7 PolarHBondContact O-N 3.45Å; V5-V7 PolarHBondContact O-N 3.39Å; V7-I10 PolarHBondContact O-N 2.88Å; V7-G11 PolarHBondContact O-N 3.41Å |
| 8 | F | 83.2 | Confident | 75.1 | Confident | 158 Ų | 158 | 118.2 Ų | 118.2 | 69% | 0.693 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.7 | -43.6 | 177.5 | -133.3 | -92.4 | 0 | 0 | 0 | 111.9 | M4 V5 L6 G11 L12 | M4-F8 WeakPolarHBondContact O-CB 3.34Å; M4-F8 PolarHBondContact O-N 3.22Å; V5-F8 PolarHBondContact O-N 2.94Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.47Å; F8-G11 PolarHBondContact O-N 3.25Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.49Å |
| 9 | T | 81.8 | Confident | 74.4 | Confident | 72 Ų | 72 | 119.3 Ų | 119.3 | 44% | 0.442 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.6 | -41.1 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | V5 L6 L12 T13 | V5-T9 HydrophobicContact CG1-CG2 4.39Å; V5-T9 WeakPolarHBondContact O-CG2 3.38Å; V5-T9 PolarHBondContact O-N 2.92Å; V5-T9 PolarHBondContact O-OG1 2.95Å; V5-T9 VanDerWaalsContact O-OG1 3.11Å; L6-T9 WeakPolarHBondContact CA-OG1 3.4Å; L6-T9 PolarHBondContact O-N 3.49Å; L6-T9 PolarHBondContact O-OG1 3.47Å; T9-L12 PolarHBondContact O-N 3.11Å; T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 3.03Å; T9-T13 PolarHBondContact O-OG1 3.23Å |
| 10 | I | 82.3 | Confident | 73.8 | Confident | 86 Ų | 86 | 118.3 Ų | 118.3 | 44% | 0.441 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.8 | -41.8 | 178.7 | -65.3 | 165.4 | 0 | 0 | 0 | 110.6 | L6 V7 L12 T13 L14 | L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.26Å; V7-I10 PolarHBondContact O-N 2.88Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-T13 WeakPolarHBondContact CA-OG1 3.36Å; I10-T13 PolarHBondContact O-N 3.23Å; I10-T13 PolarHBondContact O-OG1 3.46Å; I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.44Å |
| 11 | G | 80.1 | Confident | 73.2 | Confident | 31 Ų | 31 | 119.3 Ų | 119.3 | 32% | 0.32 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.8 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V7 F8 L14 L15 | V7-G11 PolarHBondContact O-N 3.41Å; F8-G11 PolarHBondContact O-N 3.25Å; G11-L14 PolarHBondContact O-N 2.78Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.4Å |
| 12 | L | 77.3 | Confident | 72.9 | Confident | 96 Ų | 96 | 115.2 Ų | 115.2 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -40.5 | 178.7 | -158.4 | 75.8 | 0 | 0 | 0 | 112.1 | F8 T9 I10 L14 L15 L16 | F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.49Å; T9-L12 PolarHBondContact O-N 3.11Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.82Å |
| 13 | T | 75.7 | Confident | 72.2 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -35.7 | 178 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | T9 I10 L15 L16 | T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 3.03Å; T9-T13 PolarHBondContact O-OG1 3.23Å; I10-T13 WeakPolarHBondContact CA-OG1 3.36Å; I10-T13 PolarHBondContact O-N 3.23Å; I10-T13 PolarHBondContact O-OG1 3.46Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-L16 PolarHBondContact O-N 3.2Å |
| 14 | L | 71.4 | Confident | 71.2 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.8 | -30.3 | 176 | -70.6 | 166.3 | 0 | 0 | 0 | 112.5 | I10 G11 L12 | I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 2.78Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.18Å |
| 15 | L | 67.4 | Low | 70.4 | Confident | 139 Ų | 139 | 112.1 Ų | 112.1 | 73% | 0.728 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.4 | -23.9 | 175.5 | -69 | 165.2 | 0 | 0 | 0 | 112.8 | G11 L12 T13 E17 | G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.03Å; T13-L15 VanDerWaalsContact C-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.32Å |
| 16 | L | 64.6 | Low | 69.9 | Low | 118 Ų | 118 | 112.2 Ų | 112.2 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | trans | -85.8 | 0.5 | -179.8 | -84.8 | 156.7 | 0 | 0 | 0 | 113.6 | L12 T13 V18 | L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.82Å; T13-L16 PolarHBondContact O-N 3.2Å; L16-V18 PolarHBondContact O-N 2.88Å | ||
| 17 | E | 58.5 | Low | 69.7 | Low | 140 Ų | 140 | 112 Ų | 112 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | trans | -70.1 | 61 | 163.6 | -67.8 | -170.5 | 174.8 | 0 | 0 | 110 | L15 Q19 | L15-E17 VanDerWaalsContact C-N 3.32Å; E17-Q19 PolarHBondContact O-N 2.75Å | ||
| 18 | V | 62.5 | Low | 69.9 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -62.9 | 96.1 | 157.7 | 177.8 | 0 | 0 | 0 | 0 | 104.7 | L16 A20 | L16-V18 PolarHBondContact O-N 2.88Å; V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 3.04Å | ||
| 19 | Q | 62.2 | Low | 70.1 | Confident | 139 Ų | 139 | 106.9 Ų | 106.9 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | trans | -57.1 | 104.5 | 171.7 | -65.2 | -175.2 | 9.8 | 0 | 0 | 106.7 | E17 M21 | E17-Q19 PolarHBondContact O-N 2.75Å; Q19-M21 HydrophobicContact CB-CG 4.2Å; Q19-M21 PolarHBondContact O-N 3Å | ||
| 20 | A | 61.6 | Low | 70.4 | Confident | 99 Ų | 99 | 111.1 Ų | 111.1 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -68.6 | 76.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | V18 | V18-A20 VanDerWaalsContact C-N 3.35Å; V18-A20 PolarHBondContact O-N 3.04Å | ||
| 21 | M | 60.4 | Low | 70.6 | Confident | 139 Ų | 139 | 110.5 Ų | 110.5 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.6 | 174.4 | -74.8 | -155.9 | 155.8 | 0 | 0 | 107.5 | Q19 T23 | Q19-M21 HydrophobicContact CB-CG 4.2Å; Q19-M21 PolarHBondContact O-N 3Å; M21-T23 PolarHBondContact O-N 3.31Å |
| 22 | P | 56.6 | Low | 70.9 | Confident | 122 Ų | 122 | 114 Ų | 114 | 79% | 0.792 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.5 | 171.4 | 22.9 | -30.5 | 0 | 0 | 0 | 107.2 | N24 | P22-N24 PolarHBondContact O-N 3.14Š|
| 23 | T | 57.9 | Low | 71.2 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 127.3 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | M21 R25 | M21-T23 PolarHBondContact O-N 3.31Å; T23-R25 HydrophobicContact CG2-CB 4.13Å; T23-R25 HydrophobicContact CG2-CG 4.25Å; T23-R25 PolarHBondContact O-N 2.76Å; T23-R25 VanDerWaalsContact OG1-CD 3.28Å; T23-R25 WeakPolarHBondContact OG1-CD 3.45Å; T23-R25 VanDerWaalsContact OG1-CG 3.23Å; T23-R25 WeakPolarHBondContact OG1-CG 2.85Å |
| 24 | N | 58.4 | Low | 70.9 | Confident | 172 Ų | 172 | 115.2 Ų | 115.2 | 92% | 0.92 | 60% | 0.599 | S | S | * | * | trans | -69.1 | 29.7 | 175.1 | -117.8 | -19 | 0 | 0 | 0 | 111.8 | P22 L26 | P22-N24 PolarHBondContact O-N 3.14Å; N24-L26 PolarHBondContact O-N 2.85Å | ||
| 25 | R | 62.7 | Low | 70.6 | Confident | 144 Ų | 144 | 117.2 Ų | 117.2 | 54% | 0.543 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 123 | 177.2 | -87.7 | 166 | 178.8 | -102.3 | -14.1 | 106.8 | T23 D82 | T23-R25 HydrophobicContact CG2-CB 4.13Å; T23-R25 HydrophobicContact CG2-CG 4.25Å; T23-R25 PolarHBondContact O-N 2.76Å; T23-R25 VanDerWaalsContact OG1-CD 3.28Å; T23-R25 WeakPolarHBondContact OG1-CD 3.45Å; T23-R25 VanDerWaalsContact OG1-CG 3.23Å; T23-R25 WeakPolarHBondContact OG1-CG 2.85Å; R25-D82 IonicContact CZ-OD2 3.21Å; R25-D82 IonicContact NH1-OD1 2.76Å; R25-D82 IonicContact NH1-OD2 2.97Å; R25-D82 PolarHBondContact NH1-OD2 2.95Å; R25-D82 IonicContact NH2-OD2 3.12Å; R25-D82 PolarHBondContact NH2-OD2 2.99Å |
| 26 | L | 72.2 | Confident | 70.8 | Confident | 94 Ų | 94 | 117 Ų | 117 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 144.3 | 167.9 | -64.3 | 166.3 | 0 | 0 | 0 | 108.6 | N24 M67 P80 | N24-L26 PolarHBondContact O-N 2.85Å; L26-M67 HydrophobicContact CB-CE 4.29Å; L26-M67 HydrophobicContact CB-SD 3.78Å; L26-M67 HydrophobicContact CD1-CG 3.99Å; L26-M67 HydrophobicContact CD1-SD 3.62Å; L26-M67 HydrophobicContact CG-SD 4.34Å; L26-P80 HydrophobicContact CB-CG 4.01Å; L26-P80 WeakPolarHBondContact O-CG 3.22Å |
| 27 | S | 82.4 | Confident | 71.4 | Confident | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 165.6 | 177.3 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 28 | C | 88.7 | Confident | 72.3 | Confident | 61 Ų | 61 | 106.1 Ų | 106.1 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 141.5 | 169.3 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | C78 C79 | C28-C78 CarbonylContact C-O 3.53Å; C28-C78 WeakPolarHBondContact CA-O 3.26Å; C28-C79 HydrophobicContact CB-CB 4.1Å; C28-C79 WeakPolarHBondContact CB-SG 3.02Å; C28-C79 WeakPolarHBondContact SG-CB 3.29Å; C28-C79 CovalentContact SG-SG 2.03Å; C28-C79 PolarHBondContact SG-SG 2.9Å |
| 29 | Y | 87.6 | Confident | 73 | Confident | 82 Ų | 82 | 104.9 Ų | 104.9 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.6 | 174.6 | 72.5 | -93 | 0 | 0 | 0 | 111.1 | K31 D61 M67 C78 | Y29-K31 HydrophobicContact CE2-CB 4.16Å; Y29-D61 PolarHBondContact OH-OD2 2.76Å; Y29-M67 HydrophobicContact CD1-CE 4.05Å; Y29-M67 HydrophobicContact CE1-CE 3.72Å; Y29-C78 HydrophobicContact CD1-CB 3.98Å; Y29-C78 HydrophobicContact CD2-CB 4.31Å; Y29-C78 HydrophobicContact CE1-CB 3.51Å; Y29-C78 HydrophobicContact CE2-CB 3.87Å; Y29-C78 HydrophobicContact CG-CB 4.36Å; Y29-C78 VanDerWaalsContact CZ-CB 3.45Å; Y29-C78 PolarHBondContact N-O 3.49Å; Y29-C78 PolarHBondContact O-N 3.26Å |
| 30 | R | 88.9 | Confident | 73.5 | Confident | 161 Ų | 161 | 104.4 Ų | 104.4 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.9 | 176.6 | -172 | 178.7 | 178.6 | -160 | 11.1 | 109.8 | E75 L76 | R30-E75 VanDerWaalsContact CZ-CD 3.5Å; R30-E75 IonicContact CZ-OE1 3.74Å; R30-E75 IonicContact CZ-OE2 3.33Å; R30-E75 IonicContact NE-OE1 2.99Å; R30-E75 IonicContact NE-OE2 3.66Å; R30-E75 PolarHBondContact NE-OE2 2.88Å; R30-E75 IonicContact NH2-OE1 2.59Å; R30-E75 PolarHBondContact NH2-OE1 3.47Å; R30-E75 IonicContact NH2-OE2 2.61Å; R30-E75 PolarHBondContact NH2-OE2 2.88Å; R30-L76 CarbonylContact C-O 3.52Å; R30-L76 VanDerWaalsContact CA-O 3.31Å; R30-L76 WeakPolarHBondContact CA-O 3.26Å |
| 31 | K | 86.1 | Confident | 73.8 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128 | 177.4 | -178.1 | 179 | -179.1 | -179.1 | 0 | 109.1 | Y29 L76 | Y29-K31 HydrophobicContact CE2-CB 4.16Å; K31-L76 HydrophobicContact CB-CB 4.29Å; K31-L76 HydrophobicContact CD-CD1 4.41Å; K31-L76 PolarHBondContact N-O 3.41Å; K31-L76 PolarHBondContact O-N 2.87Å |
| 32 | I | 86.1 | Confident | 73.7 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.6 | 177.1 | -59.2 | 175.1 | 0 | 0 | 0 | 108.6 | K34 | I32-K34 PolarHBondContact O-N 3.22Å |
| 33 | L | 82.4 | Confident | 73.8 | Confident | 21 Ų | 21 | 102.3 Ų | 102.3 | 11% | 0.11 | 50% | 0.504 | C | S | . | . | trans | -85.4 | 91.5 | 173.6 | -60 | 178.4 | 0 | 0 | 0 | 108.1 | D35 R36 C38 L41 S74 L76 | L33-D35 PolarHBondContact O-N 3.16Å; L33-R36 HydrophobicContact CB-CB 4.38Å; L33-R36 VanDerWaalsContact CB-O 3.26Å; L33-R36 WeakPolarHBondContact CB-O 2.94Å; L33-R36 PolarHBondContact O-N 3.05Å; L33-C38 HydrophobicContact CD1-CB 3.73Å; L33-L41 HydrophobicContact CD1-CD1 4.37Å; L33-L41 HydrophobicContact CD1-CD2 4.47Å; L33-S74 WeakPolarHBondContact CB-O 3.39Å; L33-S74 PolarHBondContact N-O 2.79Å; L33-L76 HydrophobicContact CD1-CD1 4Å; L33-L76 HydrophobicContact CD1-CG 4.3Å; L33-L76 HydrophobicContact CD2-CD1 3.9Å; L33-L76 HydrophobicContact CG-CD1 4.06Å | ||
| 34 | K | 70.8 | Confident | 73.8 | Confident | 186 Ų | 186 | 101 Ų | 101 | 81% | 0.809 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -34.4 | -168.5 | -75.1 | -176.3 | 173.8 | -178.1 | 0 | 115.6 | I32 | I32-K34 PolarHBondContact O-N 3.22Š|
| 35 | D | 65.4 | Low | 73.8 | Confident | 157 Ų | 157 | 95.9 Ų | 95.9 | 84% | 0.84 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.7 | 17.7 | -175.1 | -54.6 | -65.4 | 0 | 0 | 0 | 113.1 | L33 | L33-D35 PolarHBondContact O-N 3.16Š|
| 36 | R | 71.4 | Confident | 73.8 | Confident | 133 Ų | 133 | 89.9 Ų | 89.9 | 50% | 0.502 | 47% | 0.466 | S | S | . | . | trans | -140 | 150 | -171 | -62.4 | -175.5 | -176.3 | 131.8 | -5.9 | 112 | L33 L41 | L33-R36 HydrophobicContact CB-CB 4.38Å; L33-R36 VanDerWaalsContact CB-O 3.26Å; L33-R36 WeakPolarHBondContact CB-O 2.94Å; L33-R36 PolarHBondContact O-N 3.05Å; R36-L41 HydrophobicContact CB-CD2 4.49Å | ||
| 37 | N | 76.6 | Confident | 73.9 | Confident | 28 Ų | 28 | 90.1 Ų | 90.1 | 15% | 0.15 | 47% | 0.468 | C | S | . | . | trans | -98.5 | 134.3 | 168.9 | 179.5 | -11.4 | 0 | 0 | 0 | 108.4 | H39 N40 L41 F73 | N37-H39 PolarHBondContact ND2-CD2 3.18Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-H39 WeakPolarHBondContact OD1-CB 3.41Å; N37-H39 PolarHBondContact OD1-CD2 2Å; N37-H39 PolarHBondContact OD1-N 3.05Å; N37-N40 CarbonylContact O-C 3.54Å; N37-N40 PolarHBondContact O-N 3.5Å; N37-L41 PolarHBondContact O-N 3.41Å; N37-F73 CarbonylContact C-O 3.59Å; N37-F73 VanDerWaalsContact CA-O 3.31Å; N37-F73 WeakPolarHBondContact CA-O 3.11Å; N37-F73 HydrophobicContact CB-CE2 4.43Å; N37-F73 WeakPolarHBondContact ND2-CD2 3.34Å; N37-F73 WeakPolarHBondContact ND2-CE2 3.36Å; N37-F73 PolarHBondContact OD1-O 3.21Å; N37-F73 VanDerWaalsContact OD1-O 3.05Å | ||
| 38 | C | 77.8 | Confident | 73.7 | Confident | 3 Ų | 3 | 87.2 Ų | 87.2 | 2% | 0.02 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -63.5 | -17 | 176.7 | 29.5 | 0 | 0 | 0 | 0 | 114.1 | L33 N40 L41 C71 F73 L76 | L33-C38 HydrophobicContact CD1-CB 3.73Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 2.84Å; C38-L41 HydrophobicContact CB-CD1 3.78Å; C38-C71 HydrophobicContact CB-CB 3.73Å; C38-C71 WeakPolarHBondContact CB-SG 3.17Å; C38-C71 VanDerWaalsContact SG-CA 3.52Å; C38-C71 WeakPolarHBondContact SG-CB 3.36Å; C38-C71 CovalentContact SG-SG 2Å; C38-C71 PolarHBondContact SG-SG 3.26Å; C38-F73 PolarHBondContact N-O 3.08Å; C38-F73 PolarHBondContact SG-O 2.59Å; C38-L76 HydrophobicContact CB-CD2 4.11Å |
| 39 | H | 76.1 | Confident | 73.3 | Confident | 94 Ų | 94 | 88.1 Ų | 88.1 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -74.5 | -15.9 | 170.6 | -51.2 | -54.8 | 0 | 0 | 0 | 114.1 | N37 D57 | N37-H39 PolarHBondContact ND2-CD2 3.18Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-H39 WeakPolarHBondContact OD1-CB 3.41Å; N37-H39 PolarHBondContact OD1-CD2 2Å; N37-H39 PolarHBondContact OD1-N 3.05Å; H39-D57 IonicContact CE1-OD1 2.59Å; H39-D57 PolarHBondContact CE1-OD1 3Å; H39-D57 IonicContact ND1-OD1 2.96Å; H39-D57 PolarHBondContact ND1-OD1 2.74Å |
| 40 | N | 72.8 | Confident | 72.9 | Confident | 128 Ų | 128 | 89.4 Ų | 89.4 | 68% | 0.684 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -127.7 | 30 | -178.3 | -67.6 | -55.9 | 0 | 0 | 0 | 111.8 | N37 C38 P42 | N37-N40 CarbonylContact O-C 3.54Å; N37-N40 PolarHBondContact O-N 3.5Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 2.84Å; N40-P42 WeakPolarHBondContact O-CD 3.31Å |
| 41 | L | 67.9 | Low | 72.3 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.2 | 175.6 | -79 | 160.5 | 0 | 0 | 0 | 109.1 | L33 R36 N37 C38 A46 L48 | L33-L41 HydrophobicContact CD1-CD1 4.37Å; L33-L41 HydrophobicContact CD1-CD2 4.47Å; R36-L41 HydrophobicContact CB-CD2 4.49Å; N37-L41 PolarHBondContact O-N 3.41Å; C38-L41 HydrophobicContact CB-CD1 3.78Å; L41-A46 HydrophobicContact CD1-CB 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.41Å; L41-L48 HydrophobicContact CD1-CD1 3.66Å |
| 42 | P | 59.8 | Low | 71.7 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 144.4 | 167.3 | -11.4 | 24.5 | 0 | 0 | 0 | 108.9 | N40 G44 V45 | N40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-G44 PolarHBondContact O-N 3Å; P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.96Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 3.08Å |
| 43 | E | 58.9 | Low | 70.9 | Confident | 203 Ų | 203 | 81.9 Ų | 81.9 | 95% | 0.949 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | 129.4 | 173.1 | -74.6 | -178.6 | 169 | 0 | 0 | 110.4 | ||
| 44 | G | 57.2 | Low | 70.4 | Confident | 70 Ų | 70 | 87.5 Ų | 87.5 | 72% | 0.722 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 4.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | P42 | P42-G44 PolarHBondContact O-N 3Š|
| 45 | V | 58.1 | Low | 70.7 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 39% | 0.388 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -92.4 | -7 | -174.3 | -165.5 | 0 | 0 | 0 | 0 | 114.4 | P42 | P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.96Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 3.08Å |
| 46 | A | 63.2 | Low | 71.3 | Confident | 17 Ų | 17 | 79.6 Ų | 79.6 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -141.9 | 7.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | L41 L48 | L41-A46 HydrophobicContact CD1-CB 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.41Å; A46-L48 HydrophobicContact CB-CB 4.07Å; A46-L48 HydrophobicContact CB-CD1 3.46Å; A46-L48 VanDerWaalsContact CB-CD1 3.46Å; A46-L48 HydrophobicContact CB-CG 3.55Å; A46-L48 PolarHBondContact O-N 2.91Å |
| 47 | D | 74.3 | Confident | 71.9 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 45.1 | 31.8 | -163.7 | -66 | -18.2 | 0 | 0 | 0 | 111.9 | G62 | D47-G62 PolarHBondContact O-N 2.03Š|
| 48 | L | 77.6 | Confident | 72.4 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.4 | 178.1 | -69.9 | 171.7 | 0 | 0 | 0 | 108.5 | L41 A46 F59 W60 D61 C69 L76 | L41-L48 HydrophobicContact CD1-CD1 3.66Å; A46-L48 HydrophobicContact CB-CB 4.07Å; A46-L48 HydrophobicContact CB-CD1 3.46Å; A46-L48 VanDerWaalsContact CB-CD1 3.46Å; A46-L48 HydrophobicContact CB-CG 3.55Å; A46-L48 PolarHBondContact O-N 2.91Å; L48-F59 HydrophobicContact CB-CB 4.12Å; L48-F59 HydrophobicContact CB-CD1 4.46Å; L48-F59 HydrophobicContact CB-CG 4.48Å; L48-F59 HydrophobicContact CD2-CB 3.94Å; L48-F59 HydrophobicContact CG-CB 4.49Å; L48-W60 CarbonylContact C-O 3.55Å; L48-W60 VanDerWaalsContact CA-O 3.22Å; L48-W60 WeakPolarHBondContact CA-O 3.23Å; L48-D61 HydrophobicContact CD2-CB 4.05Å; L48-C69 HydrophobicContact CD2-CB 4.3Å; L48-L76 HydrophobicContact CD1-CD1 3.53Å; L48-L76 HydrophobicContact CD1-CD2 4.27Å |
| 49 | T | 79.7 | Confident | 72.8 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.2 | 177.5 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | I51 F59 W60 | T49-I51 PolarHBondContact O-N 2.76Å; T49-F59 CarbonylContact O-C 3.46Å; T49-F59 VanDerWaalsContact O-CA 3.28Å; T49-F59 WeakPolarHBondContact O-CA 3.13Å; T49-W60 PolarHBondContact N-O 3.31Å; T49-W60 PolarHBondContact O-N 2.87Å |
| 50 | E | 79.1 | Confident | 73.3 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 51% | 0.514 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 136.8 | 176.9 | -163.8 | 172.1 | -168.2 | 0 | 0 | 110.3 | F59 | E50-F59 HydrophobicContact CB-CD1 4.33Å; E50-F59 HydrophobicContact CB-CE1 4.37Å; E50-F59 HydrophobicContact CG-CE1 4.43Å |
| 51 | I | 77 | Confident | 73.9 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | trans | -73 | -50.7 | -173.9 | -62.9 | -171.6 | 0 | 0 | 0 | 111.2 | T49 H58 W60 I68 I93 P94 | T49-I51 PolarHBondContact O-N 2.76Å; I51-H58 HydrophobicContact CD1-CB 3.83Å; I51-H58 HydrophobicContact CG1-CB 4.38Å; I51-H58 PolarHBondContact N-O 3.05Å; I51-W60 HydrophobicContact CD1-CD2 4.26Å; I51-W60 HydrophobicContact CD1-CZ2 4.36Å; I51-W60 HydrophobicContact CG1-CD2 4.08Å; I51-W60 HydrophobicContact CG1-CG 4.03Å; I51-W60 HydrophobicContact CG1-CZ2 4.5Å; I51-W60 HydrophobicContact CG2-CZ2 4.28Å; I51-I68 HydrophobicContact CD1-CB 4.34Å; I51-I68 HydrophobicContact CD1-CD1 3.88Å; I51-I68 HydrophobicContact CD1-CG1 3.88Å; I51-I68 HydrophobicContact CD1-CG2 3.61Å; I51-I93 HydrophobicContact CD1-CG2 4.32Å; I51-I93 HydrophobicContact CG2-CG2 3.39Å; I51-P94 HydrophobicContact CG2-CG 4.41Å | ||
| 52 | D | 74.3 | Confident | 74.3 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | trans | -169.2 | 151.6 | -179.3 | -175.4 | -94.9 | 0 | 0 | 0 | 108.7 | N54 V55 P94 | D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 VanDerWaalsContact OD1-CB 3.25Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 2.89Å; D52-N54 PolarHBondContact OD1-ND2 2.99Å; D52-V55 HydrophobicContact CB-CG2 4.32Å; D52-V55 PolarHBondContact O-N 3.47Å; D52-P94 HydrophobicContact CB-CG 4.09Å | ||
| 53 | V | 67.8 | Low | 74.9 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 66% | 0.655 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.3 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 54 | N | 72.9 | Confident | 75.7 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.6 | 179.4 | -62.9 | -31.2 | 0 | 0 | 0 | 113.4 | D52 | D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.08Å; D52-N54 VanDerWaalsContact OD1-CB 3.25Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 2.89Å; D52-N54 PolarHBondContact OD1-ND2 2.99Å |
| 55 | V | 76.3 | Confident | 77 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -109 | 70.7 | 179.1 | -166.8 | 0 | 0 | 0 | 0 | 108.5 | D52 H58 F85 | D52-V55 HydrophobicContact CB-CG2 4.32Å; D52-V55 PolarHBondContact O-N 3.47Å; V55-H58 HydrophobicContact CG1-CB 3.79Å; V55-H58 PolarHBondContact O-N 3.42Å; V55-F85 HydrophobicContact CG1-CZ 4.43Å |
| 56 | Q | 78.8 | Confident | 78.2 | Confident | 143 Ų | 143 | 66.8 Ų | 66.8 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 145.3 | -177.3 | -65.5 | -176.9 | -5.8 | 0 | 0 | 111.8 | H58 | Q56-H58 PolarHBondContact O-N 3.07Å; Q56-H58 VanDerWaalsContact O-N 3.07Å; Q56-H58 PolarHBondContact O-ND1 2.89Å |
| 57 | D | 84.6 | Confident | 79.3 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 11.5 | 175.6 | -53.5 | -36.1 | 0 | 0 | 0 | 115.2 | H39 Y70 C71 | H39-D57 IonicContact CE1-OD1 2.59Å; H39-D57 PolarHBondContact CE1-OD1 3Å; H39-D57 IonicContact ND1-OD1 2.96Å; H39-D57 PolarHBondContact ND1-OD1 2.74Å; D57-Y70 HydrophobicContact CB-CD2 4.17Å; D57-Y70 HydrophobicContact CB-CE2 3.91Å; D57-Y70 CarbonylContact O-C 3.56Å; D57-Y70 WeakPolarHBondContact O-CA 3.49Å; D57-C71 HydrophobicContact CB-CB 4.19Å; D57-C71 WeakPolarHBondContact O-CB 3.28Å; D57-C71 PolarHBondContact O-N 2.03Å |
| 58 | H | 86.3 | Confident | 80 | Confident | 30 Ų | 30 | 62 Ų | 62 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.5 | 175.1 | -63.6 | 70.2 | 0 | 0 | 0 | 111.6 | I51 V55 Q56 I68 C69 Y70 F84 F85 | I51-H58 HydrophobicContact CD1-CB 3.83Å; I51-H58 HydrophobicContact CG1-CB 4.38Å; I51-H58 PolarHBondContact N-O 3.05Å; V55-H58 HydrophobicContact CG1-CB 3.79Å; V55-H58 PolarHBondContact O-N 3.42Å; Q56-H58 PolarHBondContact O-N 3.07Å; Q56-H58 VanDerWaalsContact O-N 3.07Å; Q56-H58 PolarHBondContact O-ND1 2.89Å; H58-I68 HydrophobicContact CB-CG2 4.28Å; H58-C69 WeakPolarHBondContact CA-O 3.07Å; H58-Y70 AromaticContact CE1-CD2 3.56Å; H58-Y70 AromaticContact NE2-CD2 3.8Å; H58-F84 AromaticContact CD2-CE1 3.53Å; H58-F84 AromaticContact CD2-CZ 3.97Å; H58-F84 AromaticContact NE2-CE1 3.29Å; H58-F84 VanDerWaalsContact NE2-CE1 3.29Å; H58-F84 WeakPolarHBondContact NE2-CE1 3.41Å; H58-F84 AromaticContact NE2-CZ 3.7Å; H58-F85 AromaticContact CD2-CZ 3.84Å |
| 59 | F | 85.8 | Confident | 80.6 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.5 | -174 | -56 | -91.2 | 0 | 0 | 0 | 110.2 | L48 T49 E50 I68 C69 C71 | L48-F59 HydrophobicContact CB-CB 4.12Å; L48-F59 HydrophobicContact CB-CD1 4.46Å; L48-F59 HydrophobicContact CB-CG 4.48Å; L48-F59 HydrophobicContact CD2-CB 3.94Å; L48-F59 HydrophobicContact CG-CB 4.49Å; T49-F59 CarbonylContact O-C 3.46Å; T49-F59 VanDerWaalsContact O-CA 3.28Å; T49-F59 WeakPolarHBondContact O-CA 3.13Å; E50-F59 HydrophobicContact CB-CD1 4.33Å; E50-F59 HydrophobicContact CB-CE1 4.37Å; E50-F59 HydrophobicContact CG-CE1 4.43Å; F59-I68 CarbonylContact O-C 3.57Å; F59-I68 WeakPolarHBondContact O-CA 3.39Å; F59-C69 PolarHBondContact N-O 2.9Å; F59-C69 PolarHBondContact O-N 2.77Å; F59-C71 HydrophobicContact CD2-CB 4.1Å; F59-C71 HydrophobicContact CE2-CB 3.53Å |
| 60 | W | 86.5 | Confident | 81 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.045 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 139.4 | 161.8 | -65.2 | 117.1 | 0 | 0 | 0 | 110 | L48 T49 I51 C65 I68 K81 I93 P94 | L48-W60 CarbonylContact C-O 3.55Å; L48-W60 VanDerWaalsContact CA-O 3.22Å; L48-W60 WeakPolarHBondContact CA-O 3.23Å; T49-W60 PolarHBondContact N-O 3.31Å; T49-W60 PolarHBondContact O-N 2.87Å; I51-W60 HydrophobicContact CD1-CD2 4.26Å; I51-W60 HydrophobicContact CD1-CZ2 4.36Å; I51-W60 HydrophobicContact CG1-CD2 4.08Å; I51-W60 HydrophobicContact CG1-CG 4.03Å; I51-W60 HydrophobicContact CG1-CZ2 4.5Å; I51-W60 HydrophobicContact CG2-CZ2 4.28Å; W60-C65 HydrophobicContact CD2-CB 3.98Å; W60-C65 HydrophobicContact CE3-CB 3.76Å; W60-C65 HydrophobicContact CH2-CB 3.51Å; W60-C65 HydrophobicContact CZ2-CB 3.7Å; W60-C65 HydrophobicContact CZ3-CB 3.52Å; W60-C65 WeakPolarHBondContact CZ3-O 2.9Å; W60-I68 HydrophobicContact CD2-CG1 4.29Å; W60-I68 HydrophobicContact CE3-CD1 4.13Å; W60-I68 HydrophobicContact CE3-CG1 3.41Å; W60-I68 VanDerWaalsContact CE3-CG1 3.41Å; W60-I68 HydrophobicContact CH2-CD1 3.49Å; W60-I68 VanDerWaalsContact CH2-CD1 3.49Å; W60-I68 HydrophobicContact CH2-CG1 3.77Å; W60-I68 HydrophobicContact CZ2-CD1 4.32Å; W60-I68 HydrophobicContact CZ3-CD1 3.39Å; W60-I68 HydrophobicContact CZ3-CG1 3.1Å; W60-K81 HydrophobicContact CH2-CB 4.48Å; W60-K81 HydrophobicContact CH2-CD 4.4Å; W60-K81 HydrophobicContact CZ3-CB 4.29Å; W60-I93 HydrophobicContact CH2-CB 4.5Å; W60-I93 HydrophobicContact CH2-CG2 3.89Å; W60-I93 HydrophobicContact CZ2-CB 4.44Å; W60-I93 HydrophobicContact CZ2-CG2 3.53Å; W60-P94 WeakPolarHBondContact CZ2-O 3.31Å; W60-P94 PolarHBondContact NE1-O 3.29Å |
| 61 | D | 85.3 | Confident | 81.5 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.3 | 176.7 | 177.1 | 52.9 | 0 | 0 | 0 | 111.4 | Y29 L48 M67 C69 | Y29-D61 PolarHBondContact OH-OD2 2.76Å; L48-D61 HydrophobicContact CD2-CB 4.05Å; D61-M67 HydrophobicContact CB-CB 4.12Å; D61-M67 PolarHBondContact N-O 2.87Å; D61-C69 VanDerWaalsContact CB-SG 3.56Å |
| 62 | G | 77.1 | Confident | 82 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 85 | -152.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D47 | D47-G62 PolarHBondContact O-N 2.03Š|
| 63 | K | 71.9 | Confident | 82.6 | Confident | 207 Ų | 207 | 62.7 Ų | 62.7 | 90% | 0.9 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -93.9 | 117 | 178.1 | -64.4 | -173.7 | -179.5 | -176.1 | 0 | 109.6 | ||
| 64 | G | 77.1 | Confident | 83.6 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 101.8 | -172.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 65 | C | 83.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 14% | 0.142 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -121.6 | 39.7 | -168.6 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | W60 C95 | W60-C65 HydrophobicContact CD2-CB 3.98Å; W60-C65 HydrophobicContact CE3-CB 3.76Å; W60-C65 HydrophobicContact CH2-CB 3.51Å; W60-C65 HydrophobicContact CZ2-CB 3.7Å; W60-C65 HydrophobicContact CZ3-CB 3.52Å; W60-C65 WeakPolarHBondContact CZ3-O 2.9Å; C65-C95 HydrophobicContact CB-CB 3.53Å; C65-C95 WeakPolarHBondContact CB-SG 3.22Å; C65-C95 WeakPolarHBondContact SG-CA 3.46Å; C65-C95 WeakPolarHBondContact SG-CB 3.14Å; C65-C95 CovalentContact SG-SG 2Å; C65-C95 PolarHBondContact SG-SG 3.38Å |
| 66 | E | 84 | Confident | 84.9 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 65% | 0.654 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -90.4 | -40.1 | -178.2 | -63.3 | -171.9 | 172.4 | 0 | 0 | 111.5 | P80 K81 | E66-P80 CarbonylContact O-C 3.6Å; E66-P80 WeakPolarHBondContact O-CA 3.19Å; E66-K81 PolarHBondContact O-N 3.2Å |
| 67 | M | 86.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.3 | -175 | -64.1 | -60.3 | -73.6 | 0 | 0 | 111.2 | L26 Y29 D61 C79 P80 | L26-M67 HydrophobicContact CB-CE 4.29Å; L26-M67 HydrophobicContact CB-SD 3.78Å; L26-M67 HydrophobicContact CD1-CG 3.99Å; L26-M67 HydrophobicContact CD1-SD 3.62Å; L26-M67 HydrophobicContact CG-SD 4.34Å; Y29-M67 HydrophobicContact CD1-CE 4.05Å; Y29-M67 HydrophobicContact CE1-CE 3.72Å; D61-M67 HydrophobicContact CB-CB 4.12Å; D61-M67 PolarHBondContact N-O 2.87Å; M67-C79 WeakPolarHBondContact CA-O 2.99Å; M67-P80 HydrophobicContact SD-CB 4.26Å; M67-P80 HydrophobicContact SD-CG 4.06Å; M67-P80 VanDerWaalsContact SD-N 3.44Å |
| 68 | I | 88.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.1 | 176.9 | -62.8 | 173.7 | 0 | 0 | 0 | 108.7 | I51 H58 F59 W60 C78 C79 K81 F85 I93 | I51-I68 HydrophobicContact CD1-CB 4.34Å; I51-I68 HydrophobicContact CD1-CD1 3.88Å; I51-I68 HydrophobicContact CD1-CG1 3.88Å; I51-I68 HydrophobicContact CD1-CG2 3.61Å; H58-I68 HydrophobicContact CB-CG2 4.28Å; F59-I68 CarbonylContact O-C 3.57Å; F59-I68 WeakPolarHBondContact O-CA 3.39Å; W60-I68 HydrophobicContact CD2-CG1 4.29Å; W60-I68 HydrophobicContact CE3-CD1 4.13Å; W60-I68 HydrophobicContact CE3-CG1 3.41Å; W60-I68 VanDerWaalsContact CE3-CG1 3.41Å; W60-I68 HydrophobicContact CH2-CD1 3.49Å; W60-I68 VanDerWaalsContact CH2-CD1 3.49Å; W60-I68 HydrophobicContact CH2-CG1 3.77Å; W60-I68 HydrophobicContact CZ2-CD1 4.32Å; W60-I68 HydrophobicContact CZ3-CD1 3.39Å; W60-I68 HydrophobicContact CZ3-CG1 3.1Å; I68-C78 CarbonylContact O-C 3.46Å; I68-C78 VanDerWaalsContact O-CA 3.26Å; I68-C78 WeakPolarHBondContact O-CA 3.25Å; I68-C79 PolarHBondContact N-O 2.82Å; I68-C79 PolarHBondContact O-N 2.99Å; I68-K81 HydrophobicContact CD1-CB 3.58Å; I68-K81 HydrophobicContact CG1-CB 4.14Å; I68-F85 HydrophobicContact CD1-CD2 3.69Å; I68-F85 HydrophobicContact CD1-CE2 3.38Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG2-CE2 4.05Å; I68-I93 HydrophobicContact CD1-CG2 4.36Å |
| 69 | C | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.3 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 111 | L48 H58 F59 D61 L76 L77 C78 | L48-C69 HydrophobicContact CD2-CB 4.3Å; H58-C69 WeakPolarHBondContact CA-O 3.07Å; F59-C69 PolarHBondContact N-O 2.9Å; F59-C69 PolarHBondContact O-N 2.77Å; D61-C69 VanDerWaalsContact CB-SG 3.56Å; C69-L76 HydrophobicContact CB-CB 4.28Å; C69-L76 HydrophobicContact CB-CD2 3.89Å; C69-L77 CarbonylContact C-O 3.59Å; C69-L77 VanDerWaalsContact CA-O 3.26Å; C69-L77 WeakPolarHBondContact CA-O 3.34Å; C69-C78 HydrophobicContact CB-CB 4.1Å; C69-C78 WeakPolarHBondContact CB-SG 3.47Å; C69-C78 WeakPolarHBondContact SG-CB 3.33Å; C69-C78 CovalentContact SG-SG 2.03Å; C69-C78 PolarHBondContact SG-SG 2.99Å |
| 70 | Y | 89.6 | Confident | 86 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.8 | 162.7 | 169.7 | -104.7 | 0 | 0 | 0 | 110.3 | D57 H58 N72 L76 L77 F84 | D57-Y70 HydrophobicContact CB-CD2 4.17Å; D57-Y70 HydrophobicContact CB-CE2 3.91Å; D57-Y70 CarbonylContact O-C 3.56Å; D57-Y70 WeakPolarHBondContact O-CA 3.49Å; H58-Y70 AromaticContact CE1-CD2 3.56Å; H58-Y70 AromaticContact NE2-CD2 3.8Å; Y70-N72 HydrophobicContact CD1-CB 4.48Å; Y70-N72 HydrophobicContact CE1-CB 3.92Å; Y70-L76 WeakPolarHBondContact O-CA 2.87Å; Y70-L77 PolarHBondContact N-O 3.07Å; Y70-L77 PolarHBondContact O-N 2.58Å; Y70-F84 HydrophobicContact CG-CZ 4.49Å |
| 71 | C | 88.4 | Confident | 86 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.6 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | C38 D57 F59 L76 | C38-C71 HydrophobicContact CB-CB 3.73Å; C38-C71 WeakPolarHBondContact CB-SG 3.17Å; C38-C71 VanDerWaalsContact SG-CA 3.52Å; C38-C71 WeakPolarHBondContact SG-CB 3.36Å; C38-C71 CovalentContact SG-SG 2Å; C38-C71 PolarHBondContact SG-SG 3.26Å; D57-C71 HydrophobicContact CB-CB 4.19Å; D57-C71 WeakPolarHBondContact O-CB 3.28Å; D57-C71 PolarHBondContact O-N 2.03Å; F59-C71 HydrophobicContact CD2-CB 4.1Å; F59-C71 HydrophobicContact CE2-CB 3.53Å; C71-L76 HydrophobicContact CB-CD2 4.1Å |
| 72 | N | 88.7 | Confident | 85.9 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 82.3 | 164.8 | -174.7 | 19.3 | 0 | 0 | 0 | 108.5 | Y70 S74 E75 | Y70-N72 HydrophobicContact CD1-CB 4.48Å; Y70-N72 HydrophobicContact CE1-CB 3.92Å; N72-S74 PolarHBondContact O-N 2.97Å; N72-E75 PolarHBondContact N-O 2.96Å; N72-E75 PolarHBondContact O-N 2.78Å |
| 73 | F | 86.6 | Confident | 86.2 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 55% | 0.548 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | -94.7 | 179.6 | -166.3 | -108.8 | 0 | 0 | 0 | 114.1 | N37 C38 | N37-F73 CarbonylContact C-O 3.59Å; N37-F73 VanDerWaalsContact CA-O 3.31Å; N37-F73 WeakPolarHBondContact CA-O 3.11Å; N37-F73 HydrophobicContact CB-CE2 4.43Å; N37-F73 WeakPolarHBondContact ND2-CD2 3.34Å; N37-F73 WeakPolarHBondContact ND2-CE2 3.36Å; N37-F73 PolarHBondContact OD1-O 3.21Å; N37-F73 VanDerWaalsContact OD1-O 3.05Å; C38-F73 PolarHBondContact N-O 3.08Å; C38-F73 PolarHBondContact SG-O 2.59Å |
| 74 | S | 87.1 | Confident | 86.8 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 8.4 | 178.4 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | L33 N72 | L33-S74 WeakPolarHBondContact CB-O 3.39Å; L33-S74 PolarHBondContact N-O 2.79Å; N72-S74 PolarHBondContact O-N 2.97Å |
| 75 | E | 88.1 | Confident | 86.9 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.5 | -176.3 | -58.1 | -173.2 | 163.6 | 0 | 0 | 111.8 | R30 N72 | R30-E75 VanDerWaalsContact CZ-CD 3.5Å; R30-E75 IonicContact CZ-OE1 3.74Å; R30-E75 IonicContact CZ-OE2 3.33Å; R30-E75 IonicContact NE-OE1 2.99Å; R30-E75 IonicContact NE-OE2 3.66Å; R30-E75 PolarHBondContact NE-OE2 2.88Å; R30-E75 IonicContact NH2-OE1 2.59Å; R30-E75 PolarHBondContact NH2-OE1 3.47Å; R30-E75 IonicContact NH2-OE2 2.61Å; R30-E75 PolarHBondContact NH2-OE2 2.88Å; N72-E75 PolarHBondContact N-O 2.96Å; N72-E75 PolarHBondContact O-N 2.78Å |
| 76 | L | 89.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.8 | 174.8 | -68.4 | 161.7 | 0 | 0 | 0 | 109.3 | R30 K31 L33 C38 L48 C69 Y70 C71 | R30-L76 CarbonylContact C-O 3.52Å; R30-L76 VanDerWaalsContact CA-O 3.31Å; R30-L76 WeakPolarHBondContact CA-O 3.26Å; K31-L76 HydrophobicContact CB-CB 4.29Å; K31-L76 HydrophobicContact CD-CD1 4.41Å; K31-L76 PolarHBondContact N-O 3.41Å; K31-L76 PolarHBondContact O-N 2.87Å; L33-L76 HydrophobicContact CD1-CD1 4Å; L33-L76 HydrophobicContact CD1-CG 4.3Å; L33-L76 HydrophobicContact CD2-CD1 3.9Å; L33-L76 HydrophobicContact CG-CD1 4.06Å; C38-L76 HydrophobicContact CB-CD2 4.11Å; L48-L76 HydrophobicContact CD1-CD1 3.53Å; L48-L76 HydrophobicContact CD1-CD2 4.27Å; C69-L76 HydrophobicContact CB-CB 4.28Å; C69-L76 HydrophobicContact CB-CD2 3.89Å; Y70-L76 WeakPolarHBondContact O-CA 2.87Å; C71-L76 HydrophobicContact CB-CD2 4.1Å |
| 77 | L | 91.1 | Very high | 86.1 | Confident | 80 Ų | 80 | 44 Ų | 44 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 107.2 | 167.2 | 176.4 | 64.5 | 0 | 0 | 0 | 108.5 | C69 Y70 F84 | C69-L77 CarbonylContact C-O 3.59Å; C69-L77 VanDerWaalsContact CA-O 3.26Å; C69-L77 WeakPolarHBondContact CA-O 3.34Å; Y70-L77 PolarHBondContact N-O 3.07Å; Y70-L77 PolarHBondContact O-N 2.58Å; L77-F84 HydrophobicContact CD2-CE2 4.5Å |
| 78 | C | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130 | -174.9 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | C28 Y29 I68 C69 | C28-C78 CarbonylContact C-O 3.53Å; C28-C78 WeakPolarHBondContact CA-O 3.26Å; Y29-C78 HydrophobicContact CD1-CB 3.98Å; Y29-C78 HydrophobicContact CD2-CB 4.31Å; Y29-C78 HydrophobicContact CE1-CB 3.51Å; Y29-C78 HydrophobicContact CE2-CB 3.87Å; Y29-C78 HydrophobicContact CG-CB 4.36Å; Y29-C78 VanDerWaalsContact CZ-CB 3.45Å; Y29-C78 PolarHBondContact N-O 3.49Å; Y29-C78 PolarHBondContact O-N 3.26Å; I68-C78 CarbonylContact O-C 3.46Å; I68-C78 VanDerWaalsContact O-CA 3.26Å; I68-C78 WeakPolarHBondContact O-CA 3.25Å; C69-C78 HydrophobicContact CB-CB 4.1Å; C69-C78 WeakPolarHBondContact CB-SG 3.47Å; C69-C78 WeakPolarHBondContact SG-CB 3.33Å; C69-C78 CovalentContact SG-SG 2.03Å; C69-C78 PolarHBondContact SG-SG 2.99Å |
| 79 | C | 89.6 | Confident | 85 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 162.4 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | C28 M67 I68 V83 F84 | C28-C79 HydrophobicContact CB-CB 4.1Å; C28-C79 WeakPolarHBondContact CB-SG 3.02Å; C28-C79 WeakPolarHBondContact SG-CB 3.29Å; C28-C79 CovalentContact SG-SG 2.03Å; C28-C79 PolarHBondContact SG-SG 2.9Å; M67-C79 WeakPolarHBondContact CA-O 2.99Å; I68-C79 PolarHBondContact N-O 2.82Å; I68-C79 PolarHBondContact O-N 2.99Å; C79-V83 HydrophobicContact CB-CG1 4.47Å; C79-F84 HydrophobicContact CB-CB 4.06Å; C79-F84 HydrophobicContact CB-CD2 3.82Å; C79-F84 HydrophobicContact CB-CG 4.45Å |
| 80 | P | 88.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.6 | 166.3 | -17.8 | 26.3 | 0 | 0 | 0 | 110.9 | L26 E66 M67 D82 V83 F84 | L26-P80 HydrophobicContact CB-CG 4.01Å; L26-P80 WeakPolarHBondContact O-CG 3.22Å; E66-P80 CarbonylContact O-C 3.6Å; E66-P80 WeakPolarHBondContact O-CA 3.19Å; M67-P80 HydrophobicContact SD-CB 4.26Å; M67-P80 HydrophobicContact SD-CG 4.06Å; M67-P80 VanDerWaalsContact SD-N 3.44Å; P80-D82 WeakPolarHBondContact CB-OD1 3.11Å; P80-D82 PolarHBondContact O-N 2Å; P80-V83 HydrophobicContact CB-CB 4.27Å; P80-V83 HydrophobicContact CB-CG2 3.99Å; P80-V83 HydrophobicContact CG-CB 4.28Å; P80-V83 HydrophobicContact CG-CG2 3.87Å; P80-V83 WeakPolarHBondContact O-CB 3.04Å; P80-V83 PolarHBondContact O-N 3.4Å; P80-F84 PolarHBondContact O-N 2.8Å |
| 81 | K | 85.9 | Confident | 83.2 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.4 | -34.4 | -175.1 | 75.6 | 165 | -168.8 | 172.2 | 0 | 113.8 | W60 E66 I68 F85 S90 | W60-K81 HydrophobicContact CH2-CB 4.48Å; W60-K81 HydrophobicContact CH2-CD 4.4Å; W60-K81 HydrophobicContact CZ3-CB 4.29Å; E66-K81 PolarHBondContact O-N 3.2Å; I68-K81 HydrophobicContact CD1-CB 3.58Å; I68-K81 HydrophobicContact CG1-CB 4.14Å; K81-F85 PolarHBondContact O-N 3.01Å; K81-S90 WeakPolarHBondContact CD-O 3.45Å; K81-S90 WeakPolarHBondContact CE-O 3.5Å; K81-S90 PolarHBondContact NZ-O 3.01Å; K81-S90 WeakPolarHBondContact O-CB 3.45Å |
| 82 | D | 82.9 | Confident | 82.6 | Confident | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -84.8 | -19.5 | -176 | 67.1 | -28.9 | 0 | 0 | 0 | 113.2 | R25 P80 G86 | R25-D82 IonicContact CZ-OD2 3.21Å; R25-D82 IonicContact NH1-OD1 2.76Å; R25-D82 IonicContact NH1-OD2 2.97Å; R25-D82 PolarHBondContact NH1-OD2 2.95Å; R25-D82 IonicContact NH2-OD2 3.12Å; R25-D82 PolarHBondContact NH2-OD2 2.99Å; P80-D82 WeakPolarHBondContact CB-OD1 3.11Å; P80-D82 PolarHBondContact O-N 2Å; D82-G86 CarbonylContact O-C 3.47Å; D82-G86 WeakPolarHBondContact O-CA 3.34Å; D82-G86 PolarHBondContact O-N 3.05Å |
| 83 | V | 84.6 | Confident | 82 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.5 | -42.9 | 165.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | C79 P80 | C79-V83 HydrophobicContact CB-CG1 4.47Å; P80-V83 HydrophobicContact CB-CB 4.27Å; P80-V83 HydrophobicContact CB-CG2 3.99Å; P80-V83 HydrophobicContact CG-CB 4.28Å; P80-V83 HydrophobicContact CG-CG2 3.87Å; P80-V83 WeakPolarHBondContact O-CB 3.04Å; P80-V83 PolarHBondContact O-N 3.4Å |
| 84 | F | 83.6 | Confident | 81.5 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 25% | 0.25 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.3 | -51.6 | -175.1 | -158.9 | -83.4 | 0 | 0 | 0 | 112.5 | H58 Y70 L77 C79 P80 | H58-F84 AromaticContact CD2-CE1 3.53Å; H58-F84 AromaticContact CD2-CZ 3.97Å; H58-F84 AromaticContact NE2-CE1 3.29Å; H58-F84 VanDerWaalsContact NE2-CE1 3.29Å; H58-F84 WeakPolarHBondContact NE2-CE1 3.41Å; H58-F84 AromaticContact NE2-CZ 3.7Å; Y70-F84 HydrophobicContact CG-CZ 4.49Å; L77-F84 HydrophobicContact CD2-CE2 4.5Å; C79-F84 HydrophobicContact CB-CB 4.06Å; C79-F84 HydrophobicContact CB-CD2 3.82Å; C79-F84 HydrophobicContact CB-CG 4.45Å; P80-F84 PolarHBondContact O-N 2.8Å |
| 85 | F | 79.1 | Confident | 81 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -97.1 | -10.4 | -176.6 | -73.8 | -73.8 | 0 | 0 | 0 | 113.7 | V55 H58 I68 K81 I89 I93 | V55-F85 HydrophobicContact CG1-CZ 4.43Å; H58-F85 AromaticContact CD2-CZ 3.84Å; I68-F85 HydrophobicContact CD1-CD2 3.69Å; I68-F85 HydrophobicContact CD1-CE2 3.38Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG2-CE2 4.05Å; K81-F85 PolarHBondContact O-N 3.01Å; F85-I89 HydrophobicContact CB-CB 3.91Å; F85-I89 HydrophobicContact CB-CG2 3.9Å; F85-I89 HydrophobicContact CD1-CG2 3.77Å; F85-I89 HydrophobicContact CG-CG2 4.08Å; F85-I93 HydrophobicContact CD1-CD1 4.09Å; F85-I93 HydrophobicContact CD2-CD1 4.02Å; F85-I93 HydrophobicContact CD2-CG1 3.97Å; F85-I93 HydrophobicContact CE1-CD1 3.99Å; F85-I93 HydrophobicContact CE2-CD1 3.93Å; F85-I93 HydrophobicContact CE2-CG1 4.18Å; F85-I93 HydrophobicContact CG-CD1 4.11Å; F85-I93 HydrophobicContact CG-CG1 4.28Å; F85-I93 HydrophobicContact CZ-CD1 3.91Å |
| 86 | G | 76.6 | Confident | 80.1 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | trans | 73.5 | 166.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D82 K88 I89 S90 | D82-G86 CarbonylContact O-C 3.47Å; D82-G86 WeakPolarHBondContact O-CA 3.34Å; D82-G86 PolarHBondContact O-N 3.05Å; G86-K88 PolarHBondContact O-N 2.94Å; G86-K88 VanDerWaalsContact O-N 3.14Å; G86-I89 PolarHBondContact O-N 2.83Å; G86-S90 VanDerWaalsContact O-CB 3.31Å; G86-S90 WeakPolarHBondContact O-CB 3.31Å; G86-S90 PolarHBondContact O-N 2.59Å; G86-S90 VanDerWaalsContact O-N 3.08Å; G86-S90 PolarHBondContact O-OG 2.96Å | ||
| 87 | P | 73.9 | Confident | 78.7 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 71% | 0.708 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.8 | -171.5 | 25.8 | -34.7 | 0 | 0 | 0 | 114.3 | ||
| 88 | K | 76.8 | Confident | 76.9 | Confident | 177 Ų | 177 | 74 Ų | 74 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -19.2 | -178.6 | -69.4 | -172.9 | 179.4 | -178.7 | 0 | 114.3 | G86 F91 | G86-K88 PolarHBondContact O-N 2.94Å; G86-K88 VanDerWaalsContact O-N 3.14Å; K88-F91 VanDerWaalsContact C-CE1 3.46Å; K88-F91 WeakPolarHBondContact O-CD1 2.96Å; K88-F91 WeakPolarHBondContact O-CE1 2.98Å |
| 89 | I | 75.6 | Confident | 76.3 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -30.6 | -175.8 | -60.9 | 173.8 | 0 | 0 | 0 | 109.7 | F85 G86 F91 V92 I93 | F85-I89 HydrophobicContact CB-CB 3.91Å; F85-I89 HydrophobicContact CB-CG2 3.9Å; F85-I89 HydrophobicContact CD1-CG2 3.77Å; F85-I89 HydrophobicContact CG-CG2 4.08Å; G86-I89 PolarHBondContact O-N 2.83Å; I89-F91 PolarHBondContact O-N 2.61Å; I89-V92 HydrophobicContact CG2-CG2 4.26Å; I89-V92 WeakPolarHBondContact O-CG2 3.38Å; I89-V92 PolarHBondContact O-N 3.41Å; I89-I93 HydrophobicContact CG2-CD1 4.11Å |
| 90 | S | 71.3 | Confident | 75.6 | Confident | 9 Ų | 9 | 81.5 Ų | 81.5 | 6% | 0.063 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21 | -178.8 | 66.6 | 0 | 0 | 0 | 0 | 115.5 | K81 G86 | K81-S90 WeakPolarHBondContact CD-O 3.45Å; K81-S90 WeakPolarHBondContact CE-O 3.5Å; K81-S90 PolarHBondContact NZ-O 3.01Å; K81-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 VanDerWaalsContact O-CB 3.31Å; G86-S90 WeakPolarHBondContact O-CB 3.31Å; G86-S90 PolarHBondContact O-N 2.59Å; G86-S90 VanDerWaalsContact O-N 3.08Å; G86-S90 PolarHBondContact O-OG 2.96Å |
| 91 | F | 69.9 | Low | 74.9 | Confident | 146 Ų | 146 | 85.6 Ų | 85.6 | 64% | 0.64 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -21.2 | 177.7 | 73 | -97.4 | 0 | 0 | 0 | 114.2 | K88 I89 | K88-F91 VanDerWaalsContact C-CE1 3.46Å; K88-F91 WeakPolarHBondContact O-CD1 2.96Å; K88-F91 WeakPolarHBondContact O-CE1 2.98Å; I89-F91 PolarHBondContact O-N 2.61Å |
| 92 | V | 76.4 | Confident | 74.2 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -12 | 179.3 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | I89 P94 | I89-V92 HydrophobicContact CG2-CG2 4.26Å; I89-V92 WeakPolarHBondContact O-CG2 3.38Å; I89-V92 PolarHBondContact O-N 3.41Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å |
| 93 | I | 75.6 | Confident | 73.7 | Confident | 17 Ų | 17 | 89.6 Ų | 89.6 | 9% | 0.087 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -65.3 | 119.2 | 178.4 | -54.1 | -67.9 | 0 | 0 | 0 | 108.5 | I51 W60 I68 F85 I89 C95 | I51-I93 HydrophobicContact CD1-CG2 4.32Å; I51-I93 HydrophobicContact CG2-CG2 3.39Å; W60-I93 HydrophobicContact CH2-CB 4.5Å; W60-I93 HydrophobicContact CH2-CG2 3.89Å; W60-I93 HydrophobicContact CZ2-CB 4.44Å; W60-I93 HydrophobicContact CZ2-CG2 3.53Å; I68-I93 HydrophobicContact CD1-CG2 4.36Å; F85-I93 HydrophobicContact CD1-CD1 4.09Å; F85-I93 HydrophobicContact CD2-CD1 4.02Å; F85-I93 HydrophobicContact CD2-CG1 3.97Å; F85-I93 HydrophobicContact CE1-CD1 3.99Å; F85-I93 HydrophobicContact CE2-CD1 3.93Å; F85-I93 HydrophobicContact CE2-CG1 4.18Å; F85-I93 HydrophobicContact CG-CD1 4.11Å; F85-I93 HydrophobicContact CG-CG1 4.28Å; F85-I93 HydrophobicContact CZ-CD1 3.91Å; I89-I93 HydrophobicContact CG2-CD1 4.11Å; I93-C95 PolarHBondContact O-N 2.98Å |
| 94 | P | 76.2 | Confident | 72.9 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 40% | 0.403 | 47% | 0.472 | S | S | . | . | trans | -64.1 | 135.5 | -177.5 | 25.2 | -32.4 | 0 | 0 | 0 | 110.6 | I51 D52 W60 V92 | I51-P94 HydrophobicContact CG2-CG 4.41Å; D52-P94 HydrophobicContact CB-CG 4.09Å; W60-P94 WeakPolarHBondContact CZ2-O 3.31Å; W60-P94 PolarHBondContact NE1-O 3.29Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å | ||
| 95 | C | 76.9 | Confident | 72.2 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 38% | 0.378 | 49% | 0.488 | S | S | . | . | trans | -119 | 99.3 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | C65 I93 | C65-C95 HydrophobicContact CB-CB 3.53Å; C65-C95 WeakPolarHBondContact CB-SG 3.22Å; C65-C95 WeakPolarHBondContact SG-CA 3.46Å; C65-C95 WeakPolarHBondContact SG-CB 3.14Å; C65-C95 CovalentContact SG-SG 2Å; C65-C95 PolarHBondContact SG-SG 3.38Å; I93-C95 PolarHBondContact O-N 2.98Å | ||
| 96 | N | 68 | Low | 71.7 | Confident | 122 Ų | 122 | 96.6 Ų | 96.6 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | trans | -97.7 | 91.7 | 176.7 | -151.8 | 4.6 | 0 | 0 | 0 | 108.8 | H98 | N96-H98 PolarHBondContact O-N 2.79Š| ||
| 97 | I | 61 | Low | 71.2 | Confident | 134 Ų | 134 | 103 Ų | 103 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -82.4 | 86.4 | 173.2 | 4.9 | 173.9 | 0 | 0 | 0 | 106.8 | ||||
| 98 | H | 53.1 | Low | 71 | Confident | 231 Ų | 231 | 102.5 Ų | 102.5 | 100% | 1.069 | 52% | 0.52 | S | S | * | . | trans | -87.7 | 0 | 170.2 | -105.1 | -54.8 | 0 | 0 | 0 | 111.4 | N96 | N96-H98 PolarHBondContact O-N 2.79Š|
Retrieved 98 of 98 residues in 241 ms
(Link to these results)