| 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 | 46.4 | Very low | 69.7 | Low | 214 Ų | 214 | 104.6 Ų | 104.6 | 100% | 1.054 | 52% | 0.522 | S | S | * | . | 0 | 144.4 | 0 | -73 | -171 | -84.6 | 0 | 0 | 108.3 | |||||
| 2 | T | 55.1 | Low | 70 | Confident | 32 Ų | 32 | 100.5 Ų | 100.5 | 20% | 0.196 | 50% | 0.502 | C | S | . | . | trans | -103.2 | 156.3 | 172.6 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | G4 T5 E6 | T2-G4 PolarHBondContact O-N 3.41Å; T2-G4 VanDerWaalsContact O-N 3.17Å; T2-T5 PolarHBondContact N-OG1 3.38Å; T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T2-T5 WeakPolarHBondContact OG1-CG2 3.48Å; T2-T5 PolarHBondContact OG1-N 3.16Å; T2-T5 PolarHBondContact OG1-OG1 3.35Å; T2-E6 PolarHBondContact O-N 3.49Å; T2-E6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | Y | 62 | Low | 70.3 | Confident | 167 Ų | 167 | 98.3 Ų | 98.3 | 66% | 0.655 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -47.2 | -45.8 | 176.2 | -175.3 | -99.9 | 0 | 0 | 0 | 112.1 | T5 E6 T7 I12 | Y3-T5 PolarHBondContact O-N 3.43Å; Y3-E6 PolarHBondContact O-N 2.88Å; Y3-E6 VanDerWaalsContact O-N 3.16Å; Y3-T7 HydrophobicContact CD1-CG2 4.2Å; Y3-T7 HydrophobicContact CD2-CG2 4.47Å; Y3-T7 HydrophobicContact CE1-CG2 3.83Å; Y3-T7 HydrophobicContact CE2-CG2 4.13Å; Y3-T7 HydrophobicContact CG-CG2 4.5Å; Y3-T7 WeakPolarHBondContact O-CG2 3.4Å; Y3-T7 PolarHBondContact O-N 2.98Å; Y3-T7 PolarHBondContact O-OG1 3.25Å; Y3-I12 HydrophobicContact CD1-CG2 4.12Å |
| 4 | G | 56.8 | Low | 70.8 | Confident | 2 Ų | 2 | 102.2 Ų | 102.2 | 2% | 0.021 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T2 E6 K8 I12 I13 | T2-G4 PolarHBondContact O-N 3.41Å; T2-G4 VanDerWaalsContact O-N 3.17Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.36Å; G4-K8 PolarHBondContact O-N 3.13Å; G4-I12 VanDerWaalsContact CA-CG2 3.43Å; G4-I13 WeakPolarHBondContact O-CG1 3.45Å |
| 5 | T | 66.8 | Low | 71 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.9 | -26 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | T2 Y3 | T2-T5 PolarHBondContact N-OG1 3.38Å; T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T2-T5 WeakPolarHBondContact OG1-CG2 3.48Å; T2-T5 PolarHBondContact OG1-N 3.16Å; T2-T5 PolarHBondContact OG1-OG1 3.35Å; Y3-T5 PolarHBondContact O-N 3.43Å |
| 6 | E | 74.7 | Confident | 70.7 | Confident | 142 Ų | 142 | 96.9 Ų | 96.9 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -82 | -42.6 | -179.8 | -171.5 | 169.8 | -169.8 | 0 | 0 | 111.5 | T2 Y3 G4 K8 | T2-E6 PolarHBondContact O-N 3.49Å; T2-E6 VanDerWaalsContact O-N 3.15Å; Y3-E6 PolarHBondContact O-N 2.88Å; Y3-E6 VanDerWaalsContact O-N 3.16Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.36Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.47Å |
| 7 | T | 79.9 | Confident | 70.5 | Confident | 56 Ų | 56 | 99.1 Ų | 99.1 | 34% | 0.344 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.3 | -18.3 | 178.7 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | Y3 E9 | Y3-T7 HydrophobicContact CD1-CG2 4.2Å; Y3-T7 HydrophobicContact CD2-CG2 4.47Å; Y3-T7 HydrophobicContact CE1-CG2 3.83Å; Y3-T7 HydrophobicContact CE2-CG2 4.13Å; Y3-T7 HydrophobicContact CG-CG2 4.5Å; Y3-T7 WeakPolarHBondContact O-CG2 3.4Å; Y3-T7 PolarHBondContact O-N 2.98Å; Y3-T7 PolarHBondContact O-OG1 3.25Å; T7-E9 PolarHBondContact O-N 2.79Å; T7-E9 PolarHBondContact OG1-N 2.85Å |
| 8 | K | 80 | Confident | 70.2 | Confident | 174 Ų | 174 | 101.1 Ų | 101.1 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | trans | 55.2 | 18.3 | -173.2 | -57.8 | -178.8 | -179.3 | 176.9 | 0 | 113.9 | G4 E6 | G4-K8 PolarHBondContact O-N 3.13Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.47Å | ||
| 9 | E | 80.9 | Confident | 69.8 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | trans | -78.3 | 118.4 | -179.9 | -171.5 | 171.6 | -166.2 | 0 | 0 | 109.5 | T7 D11 I12 I13 | T7-E9 PolarHBondContact O-N 2.79Å; T7-E9 PolarHBondContact OG1-N 2.85Å; E9-D11 VanDerWaalsContact C-N 3.27Å; E9-D11 PolarHBondContact O-N 3.12Å; E9-I12 HydrophobicContact CB-CB 4.25Å; E9-I12 HydrophobicContact CB-CG1 4Å; E9-I12 HydrophobicContact CG-CG1 4Å; E9-I12 PolarHBondContact O-N 3.18Å; E9-I12 WeakPolarHBondContact OE2-CG1 3.24Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 3.2Å | ||
| 10 | P | 82.3 | Confident | 69.2 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -33.8 | -170.3 | 23.3 | -33 | 0 | 0 | 0 | 112.8 | I13 K14 | P10-I13 PolarHBondContact O-N 3.35Å; P10-K14 WeakPolarHBondContact O-CB 3.38Å; P10-K14 PolarHBondContact O-N 3.22Å |
| 11 | D | 81.9 | Confident | 68.3 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 179.5 | -66.7 | -38.3 | 0 | 0 | 0 | 112 | E9 I13 K14 I15 | E9-D11 VanDerWaalsContact C-N 3.27Å; E9-D11 PolarHBondContact O-N 3.12Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 3.3Å; D11-K14 WeakPolarHBondContact O-CB 3.47Å; D11-K14 PolarHBondContact O-N 3.36Å; D11-I15 WeakPolarHBondContact O-CB 3.41Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.39Å; D11-I15 PolarHBondContact O-N 2.69Å |
| 12 | I | 73 | Confident | 68.6 | Low | 55 Ų | 55 | 99.7 Ų | 99.7 | 28% | 0.282 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.4 | -58.5 | -62.8 | 0 | 0 | 0 | 110.9 | Y3 G4 E9 A16 | Y3-I12 HydrophobicContact CD1-CG2 4.12Å; G4-I12 VanDerWaalsContact CA-CG2 3.43Å; E9-I12 HydrophobicContact CB-CB 4.25Å; E9-I12 HydrophobicContact CB-CG1 4Å; E9-I12 HydrophobicContact CG-CG1 4Å; E9-I12 PolarHBondContact O-N 3.18Å; E9-I12 WeakPolarHBondContact OE2-CG1 3.24Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 2.65Å |
| 13 | I | 73.6 | Confident | 68.5 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.4 | -66.2 | 169.4 | 0 | 0 | 0 | 110.4 | G4 E9 P10 D11 A16 K17 | G4-I13 WeakPolarHBondContact O-CG1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 3.2Å; P10-I13 PolarHBondContact O-N 3.35Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 3.3Å; I13-A16 PolarHBondContact O-N 3.14Å; I13-K17 WeakPolarHBondContact O-CB 3.25Å; I13-K17 PolarHBondContact O-N 3.03Å |
| 14 | K | 78 | Confident | 68.2 | Low | 153 Ų | 153 | 102.2 Ų | 102.2 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 178 | -175 | -178.6 | 177.8 | -174.6 | 0 | 111.6 | P10 D11 K17 H18 | P10-K14 WeakPolarHBondContact O-CB 3.38Å; P10-K14 PolarHBondContact O-N 3.22Å; D11-K14 WeakPolarHBondContact O-CB 3.47Å; D11-K14 PolarHBondContact O-N 3.36Å; K14-K17 PolarHBondContact O-N 3.11Å; K14-H18 WeakPolarHBondContact O-CB 3.43Å; K14-H18 PolarHBondContact O-N 3.37Å |
| 15 | I | 73.1 | Confident | 68.3 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 176.4 | -67.8 | 164.9 | 0 | 0 | 0 | 110.1 | D11 K17 H18 L19 | D11-I15 WeakPolarHBondContact O-CB 3.41Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.39Å; D11-I15 PolarHBondContact O-N 2.69Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.79Å; I15-H18 WeakPolarHBondContact O-CB 3.26Å; I15-H18 PolarHBondContact O-N 2.91Å; I15-H18 VanDerWaalsContact O-N 3.1Å; I15-L19 HydrophobicContact CG2-CD1 3.69Å; I15-L19 HydrophobicContact CG2-CG 4.14Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.31Å |
| 16 | A | 66 | Low | 68 | Low | 24 Ų | 24 | 113.1 Ų | 113.1 | 20% | 0.198 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 I13 R20 | I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 2.65Å; I13-A16 PolarHBondContact O-N 3.14Å; A16-R20 VanDerWaalsContact O-CB 3.22Å; A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 VanDerWaalsContact O-CG 3.26Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 2.92Å |
| 17 | K | 68.1 | Low | 67.6 | Low | 134 Ų | 134 | 113.2 Ų | 113.2 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -45.3 | 173.1 | -171 | -176.9 | 179.9 | -179.7 | 0 | 110.4 | I13 K14 I15 R20 F21 | I13-K17 WeakPolarHBondContact O-CB 3.25Å; I13-K17 PolarHBondContact O-N 3.03Å; K14-K17 PolarHBondContact O-N 3.11Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.79Å; K17-R20 PolarHBondContact O-N 3.45Å; K17-F21 HydrophobicContact CB-CD2 4.38Å; K17-F21 HydrophobicContact CG-CD2 3.51Å; K17-F21 HydrophobicContact CG-CE2 4.01Å; K17-F21 HydrophobicContact CG-CG 4.44Å; K17-F21 VanDerWaalsContact O-CB 3.26Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 WeakPolarHBondContact O-CD2 3.39Å; K17-F21 PolarHBondContact O-N 3.01Å |
| 18 | H | 64.5 | Low | 67.1 | Low | 135 Ų | 135 | 115.2 Ų | 115.2 | 63% | 0.625 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.4 | -45.2 | 176.7 | -167.2 | 73.4 | 0 | 0 | 0 | 111.6 | K14 I15 R20 T22 | K14-H18 WeakPolarHBondContact O-CB 3.43Å; K14-H18 PolarHBondContact O-N 3.37Å; I15-H18 WeakPolarHBondContact O-CB 3.26Å; I15-H18 PolarHBondContact O-N 2.91Å; I15-H18 VanDerWaalsContact O-N 3.1Å; H18-R20 PolarHBondContact O-N 2.92Å; H18-T22 WeakPolarHBondContact O-CG2 3.36Å; H18-T22 PolarHBondContact O-N 3.36Å; H18-T22 PolarHBondContact O-OG1 2.86Å; H18-T22 VanDerWaalsContact O-OG1 3.13Å |
| 19 | L | 62.5 | Low | 66.8 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -31.3 | 177.4 | -67.9 | 173.8 | 0 | 0 | 0 | 113.7 | I15 | I15-L19 HydrophobicContact CG2-CD1 3.69Å; I15-L19 HydrophobicContact CG2-CG 4.14Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.31Å |
| 20 | R | 58.1 | Low | 66.3 | Low | 179 Ų | 179 | 112.8 Ų | 112.8 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -87.8 | -32.2 | 179.5 | -76 | -176.5 | 170.1 | -141.4 | -10.5 | 114 | A16 K17 H18 | A16-R20 VanDerWaalsContact O-CB 3.22Å; A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 VanDerWaalsContact O-CG 3.26Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 2.92Å; K17-R20 PolarHBondContact O-N 3.45Å; H18-R20 PolarHBondContact O-N 2.92Å |
| 21 | F | 51 | Low | 65.9 | Low | 155 Ų | 155 | 111.2 Ų | 111.2 | 68% | 0.68 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -105.3 | 4.3 | -171.9 | -74.1 | -81.2 | 0 | 0 | 0 | 114.5 | K17 S23 | K17-F21 HydrophobicContact CB-CD2 4.38Å; K17-F21 HydrophobicContact CG-CD2 3.51Å; K17-F21 HydrophobicContact CG-CE2 4.01Å; K17-F21 HydrophobicContact CG-CG 4.44Å; K17-F21 VanDerWaalsContact O-CB 3.26Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 WeakPolarHBondContact O-CD2 3.39Å; K17-F21 PolarHBondContact O-N 3.01Å; F21-S23 PolarHBondContact O-N 2.92Å |
| 22 | T | 51.7 | Low | 65.4 | Low | 45 Ų | 45 | 108.5 Ų | 108.5 | 28% | 0.276 | 54% | 0.537 | S | S | . | . | trans | -70.6 | 78.1 | 152.4 | 46.4 | 0 | 0 | 0 | 0 | 107.2 | H18 N24 Y25 | H18-T22 WeakPolarHBondContact O-CG2 3.36Å; H18-T22 PolarHBondContact O-N 3.36Å; H18-T22 PolarHBondContact O-OG1 2.86Å; H18-T22 VanDerWaalsContact O-OG1 3.13Å; T22-N24 PolarHBondContact O-N 2.88Å; T22-Y25 VanDerWaalsContact O-CB 3.22Å; T22-Y25 WeakPolarHBondContact O-CB 3.44Å; T22-Y25 PolarHBondContact O-N 3.36Å; T22-Y25 WeakPolarHBondContact OG1-CB 3.38Å | ||
| 23 | S | 53.5 | Low | 65.3 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -16 | 166 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | F21 | F21-S23 PolarHBondContact O-N 2.92Š|
| 24 | N | 56.6 | Low | 64.8 | Low | 141 Ų | 141 | 110.7 Ų | 110.7 | 75% | 0.754 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 10.9 | 176.4 | -53.4 | -22.2 | 0 | 0 | 0 | 112.9 | T22 R26 | T22-N24 PolarHBondContact O-N 2.88Å; N24-R26 PolarHBondContact O-N 3.28Å |
| 25 | Y | 58 | Low | 64.2 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | trans | -61.3 | 106.5 | 177.5 | -172.1 | -105.3 | 0 | 0 | 0 | 109.5 | T22 L27 P28 | T22-Y25 VanDerWaalsContact O-CB 3.22Å; T22-Y25 WeakPolarHBondContact O-CB 3.44Å; T22-Y25 PolarHBondContact O-N 3.36Å; T22-Y25 WeakPolarHBondContact OG1-CB 3.38Å; Y25-L27 HydrophobicContact CE1-CD2 4.39Å; Y25-P28 WeakPolarHBondContact OH-CD 3.46Å; Y25-P28 WeakPolarHBondContact OH-CG 3.37Å | ||
| 26 | R | 61.4 | Low | 63.7 | Low | 178 Ų | 178 | 112 Ų | 112 | 67% | 0.672 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 131 | 166.3 | -63.8 | -177.9 | -170.1 | 176.7 | 5.1 | 106.9 | N24 | N24-R26 PolarHBondContact O-N 3.28Š|
| 27 | L | 66 | Low | 63.4 | Low | 145 Ų | 145 | 114.1 Ų | 114.1 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.3 | 171.5 | -73.5 | 166.3 | 0 | 0 | 0 | 108.8 | Y25 Q29 | Y25-L27 HydrophobicContact CE1-CD2 4.39Å; L27-Q29 PolarHBondContact O-N 3.46Å |
| 28 | P | 68.2 | Low | 63.2 | Low | 97 Ų | 97 | 115.3 Ų | 115.3 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.8 | 173.8 | -23.3 | 32.9 | 0 | 0 | 0 | 109.9 | Y25 L30 | Y25-P28 WeakPolarHBondContact OH-CD 3.46Å; Y25-P28 WeakPolarHBondContact OH-CG 3.37Å; P28-L30 PolarHBondContact O-N 2.95Å |
| 29 | Q | 73.9 | Confident | 63.1 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | trans | -76 | 112.2 | 171.2 | -66.6 | -173.1 | 28.8 | 0 | 0 | 108.5 | L27 Y31 | L27-Q29 PolarHBondContact O-N 3.46Å; Q29-Y31 HydrophobicContact CB-CE2 4.1Å; Q29-Y31 PolarHBondContact OE1-OH 3.13Å | ||
| 30 | L | 71.7 | Confident | 63 | Low | 97 Ų | 97 | 118.7 Ų | 118.7 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | trans | -91 | 112.8 | 178.7 | -176.8 | 68.3 | 0 | 0 | 0 | 110.2 | P28 S54 L85 | P28-L30 PolarHBondContact O-N 2.95Å; L30-S54 WeakPolarHBondContact O-CB 3.22Å; L30-S54 PolarHBondContact O-OG 3.36Å; L30-L85 HydrophobicContact CD1-CD1 3.65Å; L30-L85 HydrophobicContact CD1-CD2 4.38Å; L30-L85 HydrophobicContact CD2-CD1 4.34Å; L30-L85 HydrophobicContact CD2-CD2 4.28Å | ||
| 31 | Y | 73.6 | Confident | 63.1 | Low | 63 Ų | 63 | 112.1 Ų | 112.1 | 25% | 0.247 | 58% | 0.582 | C | S | . | * | trans | -90.2 | 106.6 | 169.9 | -63.2 | -87.5 | 0 | 0 | 0 | 109.6 | Q29 L33 V56 F62 | Q29-Y31 HydrophobicContact CB-CE2 4.1Å; Q29-Y31 PolarHBondContact OE1-OH 3.13Å; Y31-L33 PolarHBondContact O-N 3.31Å; Y31-V56 HydrophobicContact CD1-CG2 3.9Å; Y31-V56 HydrophobicContact CG-CG2 4.44Å; Y31-F62 HydrophobicContact CD1-CD2 4.45Å; Y31-F62 HydrophobicContact CD1-CE2 4.15Å; Y31-F62 AromaticContact CG-CE2 3.96Å; Y31-F62 HydrophobicContact CG-CE2 3.96Å | ||
| 32 | G | 71.4 | Confident | 63.6 | Low | 44 Ų | 44 | 108.4 Ų | 108.4 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -81 | 106.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V56 | G32-V56 WeakPolarHBondContact O-CB 3.31Å |
| 33 | L | 69.5 | Low | 64.4 | Low | 113 Ų | 113 | 113.3 Ų | 113.3 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | trans | -61.8 | 133.8 | 174.9 | -67 | -177.3 | 0 | 0 | 0 | 110.2 | Y31 K35 F62 | Y31-L33 PolarHBondContact O-N 3.31Å; L33-K35 PolarHBondContact O-N 3.11Å; L33-F62 HydrophobicContact CD2-CD1 3.58Å; L33-F62 HydrophobicContact CD2-CD2 4.12Å; L33-F62 HydrophobicContact CD2-CE1 3.64Å; L33-F62 HydrophobicContact CD2-CE2 4.17Å; L33-F62 HydrophobicContact CD2-CG 3.81Å; L33-F62 HydrophobicContact CD2-CZ 3.92Å | ||
| 34 | P | 63.3 | Low | 65.1 | Low | 60 Ų | 60 | 108.4 Ų | 108.4 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | trans | -64.3 | 104.1 | 178.5 | 18.3 | -25.6 | 0 | 0 | 0 | 109.6 | V36 V56 | P34-V36 PolarHBondContact O-N 3.42Å; P34-V56 VanDerWaalsContact CD-CG1 3.48Å; P34-V56 HydrophobicContact CG-CG1 4.12Å | ||
| 35 | K | 65.9 | Low | 65.6 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | trans | -67.4 | 128.8 | 172.8 | -163.6 | 169.8 | -170.5 | 176.2 | 0 | 108.5 | L33 H37 E82 | L33-K35 PolarHBondContact O-N 3.11Å; K35-H37 PolarHBondContact O-N 3.23Å; K35-H37 PolarHBondContact O-ND1 3.42Å; K35-E82 IonicContact NZ-OE2 3.12Å; K35-E82 PolarHBondContact NZ-OE2 3.02Å | ||
| 36 | V | 63.9 | Low | 66.2 | Low | 141 Ų | 141 | 101.3 Ų | 101.3 | 86% | 0.855 | 53% | 0.526 | S | S | * | . | trans | -63.7 | 103.9 | 167.6 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | P34 | P34-V36 PolarHBondContact O-N 3.42Š| ||
| 37 | H | 58.9 | Low | 66.5 | Low | 70 Ų | 70 | 95.5 Ų | 95.5 | 32% | 0.324 | 51% | 0.511 | S | S | . | . | trans | -71.4 | 137.5 | 174.2 | -73.4 | 71.7 | 0 | 0 | 0 | 108.1 | K35 V41 | K35-H37 PolarHBondContact O-N 3.23Å; K35-H37 PolarHBondContact O-ND1 3.42Å; H37-V41 HydrophobicContact CB-CB 4.3Å | ||
| 38 | K | 63.3 | Low | 66.7 | Low | 159 Ų | 159 | 89.4 Ų | 89.4 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | trans | -51.9 | 142.6 | 166 | -65 | -178.9 | -179.5 | 178.5 | 0 | 107.6 | E40 V41 | K38-E40 PolarHBondContact O-N 3.42Å; K38-V41 HydrophobicContact CB-CG2 4.23Å; K38-V41 PolarHBondContact O-N 3.03Å | ||
| 39 | P | 63.5 | Low | 66.7 | Low | 138 Ų | 138 | 87 Ų | 87 | 90% | 0.896 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.1 | -177.1 | 18.8 | -30.2 | 0 | 0 | 0 | 113.6 | ||
| 40 | E | 59.7 | Low | 66.5 | Low | 177 Ų | 177 | 83.5 Ų | 83.5 | 83% | 0.827 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -13 | -178.3 | -43.9 | -161.1 | -137.6 | 0 | 0 | 113.8 | K38 P42 | K38-E40 PolarHBondContact O-N 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.5Å |
| 41 | V | 60.6 | Low | 66.4 | Low | 42 Ų | 42 | 86.7 Ų | 86.7 | 26% | 0.255 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -87.8 | 119.1 | 179.7 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | H37 K38 K43 | H37-V41 HydrophobicContact CB-CB 4.3Å; K38-V41 HydrophobicContact CB-CG2 4.23Å; K38-V41 PolarHBondContact O-N 3.03Å; V41-K43 PolarHBondContact O-N 3.49Å |
| 42 | P | 61.2 | Low | 66.3 | Low | 77 Ų | 77 | 89.7 Ų | 89.7 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | trans | -57.9 | 127.3 | 178.2 | -25 | 35.4 | 0 | 0 | 0 | 111.2 | E40 V44 | E40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-V44 HydrophobicContact CB-CB 4.46Å; P42-V44 HydrophobicContact CB-CG2 3.44Å; P42-V44 VanDerWaalsContact CB-CG2 3.44Å; P42-V44 PolarHBondContact O-N 3.47Å | ||
| 43 | K | 67.7 | Low | 66.3 | Low | 147 Ų | 147 | 93.8 Ų | 93.8 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | trans | -71.8 | 46.7 | 175 | -69.3 | -177.6 | 179.6 | -179.8 | 0 | 112.2 | V41 I46 | V41-K43 PolarHBondContact O-N 3.49Å; K43-I46 HydrophobicContact CB-CD1 3.85Å; K43-I46 HydrophobicContact CB-CG1 4.39Å; K43-I46 HydrophobicContact CD-CD1 3.95Å; K43-I46 HydrophobicContact CG-CD1 3.79Å | ||
| 44 | V | 68.2 | Low | 66.4 | Low | 9 Ų | 9 | 89.9 Ų | 89.9 | 6% | 0.055 | 49% | 0.486 | C | S | . | . | trans | -76.7 | -30.6 | -169.3 | 168.5 | 0 | 0 | 0 | 0 | 112 | P42 L102 L108 R111 L119 | P42-V44 HydrophobicContact CB-CB 4.46Å; P42-V44 HydrophobicContact CB-CG2 3.44Å; P42-V44 VanDerWaalsContact CB-CG2 3.44Å; P42-V44 PolarHBondContact O-N 3.47Å; V44-L102 HydrophobicContact CG1-CD2 3.92Å; V44-L108 HydrophobicContact CG1-CD1 4.26Å; V44-R111 PolarHBondContact O-NH2 3.1Å; V44-L119 HydrophobicContact CB-CD2 4.29Å; V44-L119 HydrophobicContact CG1-CD1 3.55Å; V44-L119 HydrophobicContact CG1-CD2 3.91Å; V44-L119 HydrophobicContact CG1-CG 4.21Å; V44-L119 HydrophobicContact CG2-CD1 4.4Å; V44-L119 HydrophobicContact CG2-CD2 3.8Å | ||
| 45 | I | 68.1 | Low | 67.1 | Low | 55 Ų | 55 | 90.3 Ų | 90.3 | 28% | 0.282 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -90.1 | -25 | -174.2 | -55.9 | 177.2 | 0 | 0 | 0 | 111.4 | L48 S49 L98 | I45-L48 WeakPolarHBondContact O-CA 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.33Å; I45-L48 PolarHBondContact O-N 3.3Å; I45-S49 PolarHBondContact O-N 3.43Å; I45-S49 PolarHBondContact O-OG 2.83Å; I45-L98 HydrophobicContact CG1-CD1 4.43Å |
| 46 | I | 69.9 | Low | 67.8 | Low | 67 Ų | 67 | 84 Ų | 84 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -51.9 | -46 | -174.1 | -60.2 | -178.8 | 0 | 0 | 0 | 112.8 | K43 L48 S49 G50 F55 | K43-I46 HydrophobicContact CB-CD1 3.85Å; K43-I46 HydrophobicContact CB-CG1 4.39Å; K43-I46 HydrophobicContact CD-CD1 3.95Å; K43-I46 HydrophobicContact CG-CD1 3.79Å; I46-L48 PolarHBondContact O-N 3.23Å; I46-S49 PolarHBondContact O-N 3.43Å; I46-S49 VanDerWaalsContact O-N 3.16Å; I46-G50 PolarHBondContact O-N 3.47Å; I46-F55 HydrophobicContact CG2-CZ 4.27Å |
| 47 | P | 68 | Low | 68.3 | Low | 55 Ų | 55 | 85.7 Ų | 85.7 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.9 | -16.2 | -177.9 | -22.8 | 41.8 | 0 | 0 | 0 | 113.5 | R111 | P47-R111 VanDerWaalsContact CB-NH1 3.25Å; P47-R111 VanDerWaalsContact CG-CZ 3.45Å |
| 48 | L | 69.5 | Low | 69.4 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 9% | 0.089 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.3 | -34.6 | 169.6 | -59.4 | 176.9 | 0 | 0 | 0 | 111.1 | I45 I46 L98 L101 L102 E105 | I45-L48 WeakPolarHBondContact O-CA 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.33Å; I45-L48 PolarHBondContact O-N 3.3Å; I46-L48 PolarHBondContact O-N 3.23Å; L48-L98 HydrophobicContact CD1-CD1 4.46Å; L48-L101 HydrophobicContact CD1-CB 3.93Å; L48-L101 HydrophobicContact CD2-CB 4.14Å; L48-L102 HydrophobicContact CD1-CD2 3.97Å; L48-L102 HydrophobicContact CD1-CG 4.3Å; L48-E105 HydrophobicContact CD2-CB 4.19Å; L48-E105 HydrophobicContact CD2-CG 4.35Å; L48-E105 WeakPolarHBondContact CD2-OE2 3.14Å |
| 49 | S | 69.1 | Low | 70.3 | Confident | 48 Ų | 48 | 81.9 Ų | 81.9 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -78.9 | -32.1 | 180 | -56.9 | 0 | 0 | 0 | 0 | 114.3 | I45 I46 K51 E52 | I45-S49 PolarHBondContact O-N 3.43Å; I45-S49 PolarHBondContact O-OG 2.83Å; I46-S49 PolarHBondContact O-N 3.43Å; I46-S49 VanDerWaalsContact O-N 3.16Å; S49-K51 PolarHBondContact O-N 3.12Å; S49-E52 PolarHBondContact O-N 2.85Å |
| 50 | G | 68.8 | Low | 71.4 | Confident | 42 Ų | 42 | 79 Ų | 79 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 2.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | I46 | I46-G50 PolarHBondContact O-N 3.47Š|
| 51 | K | 69.7 | Low | 72.6 | Confident | 163 Ų | 163 | 72.2 Ų | 72.2 | 71% | 0.709 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18.2 | 178.5 | -62.1 | -178.5 | -177.3 | 176.9 | 0 | 112.9 | S49 | S49-K51 PolarHBondContact O-N 3.12Š|
| 52 | E | 72 | Confident | 73.8 | Confident | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -80.8 | 140.2 | -178.1 | -68.7 | -57.6 | 145.2 | 0 | 0 | 111.6 | S49 S54 F55 | S49-E52 PolarHBondContact O-N 2.85Å; E52-S54 PolarHBondContact O-N 2.87Å; E52-F55 VanDerWaalsContact O-CB 3.23Å; E52-F55 WeakPolarHBondContact O-CB 3.37Å; E52-F55 PolarHBondContact O-N 3.19Å |
| 53 | P | 70.7 | Confident | 75.1 | Confident | 130 Ų | 130 | 72.7 Ų | 72.7 | 84% | 0.844 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.6 | 176.2 | -25.4 | 34.4 | 0 | 0 | 0 | 114.1 | F55 | P53-F55 VanDerWaalsContact C-N 3.27Å; P53-F55 PolarHBondContact O-N 3Å |
| 54 | S | 73.3 | Confident | 76.1 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 22% | 0.217 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 5.5 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | L30 E52 V56 | L30-S54 WeakPolarHBondContact O-CB 3.22Å; L30-S54 PolarHBondContact O-OG 3.36Å; E52-S54 PolarHBondContact O-N 2.87Å; S54-V56 PolarHBondContact O-N 2.99Å |
| 55 | F | 77.6 | Confident | 76.9 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 117.5 | 179.8 | 179.3 | -101.3 | 0 | 0 | 0 | 111.8 | I46 E52 P53 R57 | I46-F55 HydrophobicContact CG2-CZ 4.27Å; E52-F55 VanDerWaalsContact O-CB 3.23Å; E52-F55 WeakPolarHBondContact O-CB 3.37Å; E52-F55 PolarHBondContact O-N 3.19Å; P53-F55 VanDerWaalsContact C-N 3.27Å; P53-F55 PolarHBondContact O-N 3Å; F55-R57 HydrophobicContact CD1-CG 4.07Å; F55-R57 HydrophobicContact CE1-CG 3.86Å |
| 56 | V | 79.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.006 | 41% | 0.41 | C | S | . | . | trans | -87.5 | 113.3 | 177 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | Y31 G32 P34 S54 N58 F62 | Y31-V56 HydrophobicContact CD1-CG2 3.9Å; Y31-V56 HydrophobicContact CG-CG2 4.44Å; G32-V56 WeakPolarHBondContact O-CB 3.31Å; P34-V56 VanDerWaalsContact CD-CG1 3.48Å; P34-V56 HydrophobicContact CG-CG1 4.12Å; S54-V56 PolarHBondContact O-N 2.99Å; V56-N58 WeakPolarHBondContact CG1-O 3.32Å; V56-F62 HydrophobicContact CG1-CB 3.56Å; V56-F62 HydrophobicContact CG1-CD2 4.15Å; V56-F62 HydrophobicContact CG1-CG 4.13Å; V56-F62 HydrophobicContact CG2-CD2 3.67Å; V56-F62 HydrophobicContact CG2-CE2 4.3Å; V56-F62 HydrophobicContact CG2-CG 4.46Å | ||
| 57 | R | 76 | Confident | 78.5 | Confident | 177 Ų | 177 | 74.6 Ų | 74.6 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | trans | -68.5 | -44.6 | -179.4 | -79.2 | -177.2 | -82.7 | -116.7 | -3.8 | 114.1 | F55 | F55-R57 HydrophobicContact CD1-CG 4.07Å; F55-R57 HydrophobicContact CE1-CG 3.86Å | ||
| 58 | N | 80.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 79.3 Ų | 79.3 | 35% | 0.348 | 44% | 0.44 | S | S | . | . | trans | -158.7 | 166.7 | 179.9 | 64.2 | 72.6 | 0 | 0 | 0 | 109.4 | V56 S60 T61 F62 | V56-N58 WeakPolarHBondContact CG1-O 3.32Å; N58-S60 PolarHBondContact O-N 3.34Å; N58-S60 WeakPolarHBondContact OD1-CA 3.48Å; N58-S60 WeakPolarHBondContact OD1-CB 3.34Å; N58-S60 PolarHBondContact OD1-N 3.16Å; N58-T61 PolarHBondContact ND2-OG1 3.29Å; N58-T61 PolarHBondContact O-N 2.66Å; N58-T61 PolarHBondContact OD1-N 2.98Å; N58-T61 PolarHBondContact OD1-OG1 3.46Å; N58-F62 PolarHBondContact O-N 3.09Å; N58-F62 VanDerWaalsContact O-N 3.1Å | ||
| 59 | S | 83.7 | Confident | 80.2 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 59% | 0.587 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.8 | -36.8 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | F62 V63 | S59-F62 WeakPolarHBondContact O-CB 3.38Å; S59-F62 PolarHBondContact O-N 3.46Å; S59-V63 VanDerWaalsContact O-CG2 3.26Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 3.05Å |
| 60 | S | 85.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 87.6 Ų | 87.6 | 54% | 0.538 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 179 | -54.7 | 0 | 0 | 0 | 0 | 112 | N58 F62 V63 N64 | N58-S60 PolarHBondContact O-N 3.34Å; N58-S60 WeakPolarHBondContact OD1-CA 3.48Å; N58-S60 WeakPolarHBondContact OD1-CB 3.34Å; N58-S60 PolarHBondContact OD1-N 3.16Å; S60-F62 VanDerWaalsContact C-N 3.35Å; S60-V63 PolarHBondContact O-N 2.91Å; S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.49Å; S60-N64 VanDerWaalsContact O-N 3.14Å; S60-N64 PolarHBondContact O-ND2 3.5Å |
| 61 | T | 85.5 | Confident | 81.8 | Confident | 35 Ų | 35 | 89.8 Ų | 89.8 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.6 | -61.9 | 0 | 0 | 0 | 0 | 111 | N58 V63 N64 E65 | N58-T61 PolarHBondContact ND2-OG1 3.29Å; N58-T61 PolarHBondContact O-N 2.66Å; N58-T61 PolarHBondContact OD1-N 2.98Å; N58-T61 PolarHBondContact OD1-OG1 3.46Å; T61-V63 PolarHBondContact O-N 3.31Å; T61-N64 PolarHBondContact O-N 2.76Å; T61-E65 HydrophobicContact CG2-CG 4.38Å; T61-E65 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 WeakPolarHBondContact O-CG 3.38Å; T61-E65 PolarHBondContact O-N 2.95Å |
| 62 | F | 86.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 16% | 0.162 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 175.5 | -178 | -113.8 | 0 | 0 | 0 | 113.1 | Y31 L33 V56 N58 S59 S60 N64 E65 I66 | Y31-F62 HydrophobicContact CD1-CD2 4.45Å; Y31-F62 HydrophobicContact CD1-CE2 4.15Å; Y31-F62 AromaticContact CG-CE2 3.96Å; Y31-F62 HydrophobicContact CG-CE2 3.96Å; L33-F62 HydrophobicContact CD2-CD1 3.58Å; L33-F62 HydrophobicContact CD2-CD2 4.12Å; L33-F62 HydrophobicContact CD2-CE1 3.64Å; L33-F62 HydrophobicContact CD2-CE2 4.17Å; L33-F62 HydrophobicContact CD2-CG 3.81Å; L33-F62 HydrophobicContact CD2-CZ 3.92Å; V56-F62 HydrophobicContact CG1-CB 3.56Å; V56-F62 HydrophobicContact CG1-CD2 4.15Å; V56-F62 HydrophobicContact CG1-CG 4.13Å; V56-F62 HydrophobicContact CG2-CD2 3.67Å; V56-F62 HydrophobicContact CG2-CE2 4.3Å; V56-F62 HydrophobicContact CG2-CG 4.46Å; N58-F62 PolarHBondContact O-N 3.09Å; N58-F62 VanDerWaalsContact O-N 3.1Å; S59-F62 WeakPolarHBondContact O-CB 3.38Å; S59-F62 PolarHBondContact O-N 3.46Å; S60-F62 VanDerWaalsContact C-N 3.35Å; F62-N64 VanDerWaalsContact C-N 3.25Å; F62-N64 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 2.93Å; F62-I66 HydrophobicContact CE1-CD1 3.97Å; F62-I66 HydrophobicContact CE1-CG2 4.36Å; F62-I66 HydrophobicContact CE2-CB 4.49Å; F62-I66 HydrophobicContact CE2-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CB 4.41Å; F62-I66 HydrophobicContact CZ-CD1 3.42Å; F62-I66 VanDerWaalsContact CZ-CD1 3.42Å; F62-I66 WeakPolarHBondContact O-CB 3.22Å; F62-I66 VanDerWaalsContact O-CG2 3.31Å; F62-I66 WeakPolarHBondContact O-CG2 3.26Å; F62-I66 PolarHBondContact O-N 3.33Å |
| 63 | V | 87.2 | Confident | 83.3 | Confident | 91 Ų | 91 | 87 Ų | 87 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | -178.3 | 168.5 | 0 | 0 | 0 | 0 | 111 | S59 S60 T61 G67 | S59-V63 VanDerWaalsContact O-CG2 3.26Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 3.05Å; S60-V63 PolarHBondContact O-N 2.91Å; T61-V63 PolarHBondContact O-N 3.31Å; V63-G67 PolarHBondContact O-N 3.34Å |
| 64 | N | 88.4 | Confident | 83.8 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.9 | -43.6 | 175.8 | -65.3 | -15.3 | 0 | 0 | 0 | 111.8 | S60 T61 F62 | S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.49Å; S60-N64 VanDerWaalsContact O-N 3.14Å; S60-N64 PolarHBondContact O-ND2 3.5Å; T61-N64 PolarHBondContact O-N 2.76Å; F62-N64 VanDerWaalsContact C-N 3.25Å; F62-N64 PolarHBondContact O-N 2.95Å |
| 65 | E | 85.5 | Confident | 84.1 | Confident | 86 Ų | 86 | 88.9 Ų | 88.9 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | -179.3 | -73.6 | 169.8 | -177.8 | 0 | 0 | 112.3 | T61 F62 E68 Y69 | T61-E65 HydrophobicContact CG2-CG 4.38Å; T61-E65 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 WeakPolarHBondContact O-CG 3.38Å; T61-E65 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 2.93Å; E65-E68 PolarHBondContact O-N 3.48Å; E65-Y69 PolarHBondContact O-N 3.39Å |
| 66 | I | 85.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 29% | 0.292 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.8 | -27.4 | -179 | -160 | 162.4 | 0 | 0 | 0 | 112.7 | F62 E68 Y69 L77 | F62-I66 HydrophobicContact CE1-CD1 3.97Å; F62-I66 HydrophobicContact CE1-CG2 4.36Å; F62-I66 HydrophobicContact CE2-CB 4.49Å; F62-I66 HydrophobicContact CE2-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CB 4.41Å; F62-I66 HydrophobicContact CZ-CD1 3.42Å; F62-I66 VanDerWaalsContact CZ-CD1 3.42Å; F62-I66 WeakPolarHBondContact O-CB 3.22Å; F62-I66 VanDerWaalsContact O-CG2 3.31Å; F62-I66 WeakPolarHBondContact O-CG2 3.26Å; F62-I66 PolarHBondContact O-N 3.33Å; I66-E68 PolarHBondContact O-N 2.7Å; I66-Y69 WeakPolarHBondContact O-CB 3.39Å; I66-Y69 PolarHBondContact O-N 2.92Å; I66-L77 HydrophobicContact CD1-CD2 3.86Å |
| 67 | G | 86.8 | Confident | 84.5 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -31.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V63 | V63-G67 PolarHBondContact O-N 3.34Å |
| 68 | E | 87.3 | Confident | 84.8 | Confident | 154 Ų | 154 | 91.8 Ų | 91.8 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -1.7 | 177.3 | -57.8 | -61.8 | 129.9 | 0 | 0 | 112.9 | E65 I66 H70 | E65-E68 PolarHBondContact O-N 3.48Å; I66-E68 PolarHBondContact O-N 2.7Å; E68-H70 PolarHBondContact O-N 2.91Å |
| 69 | Y | 85.7 | Confident | 84.8 | Confident | 82 Ų | 82 | 94.2 Ų | 94.2 | 32% | 0.322 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 120.7 | -176 | -166.8 | -83.4 | 0 | 0 | 0 | 111.2 | E65 I66 L71 | E65-Y69 PolarHBondContact O-N 3.39Å; I66-Y69 WeakPolarHBondContact O-CB 3.39Å; I66-Y69 PolarHBondContact O-N 2.92Å; Y69-L71 HydrophobicContact CD1-CD2 4.23Å; Y69-L71 HydrophobicContact CD1-CG 4.3Å; Y69-L71 HydrophobicContact CE1-CD2 3.81Å; Y69-L71 HydrophobicContact CE1-CG 4.29Å |
| 70 | H | 87.2 | Confident | 84.4 | Confident | 158 Ų | 158 | 96.9 Ų | 96.9 | 73% | 0.731 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -95 | 118.2 | 174.5 | -65.8 | -62.8 | 0 | 0 | 0 | 110.5 | E68 | E68-H70 PolarHBondContact O-N 2.91Š|
| 71 | L | 84.7 | Confident | 83.8 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 132.2 | 171.7 | -71.5 | 165.5 | 0 | 0 | 0 | 110 | Y69 E75 L77 | Y69-L71 HydrophobicContact CD1-CD2 4.23Å; Y69-L71 HydrophobicContact CD1-CG 4.3Å; Y69-L71 HydrophobicContact CE1-CD2 3.81Å; Y69-L71 HydrophobicContact CE1-CG 4.29Å; L71-E75 HydrophobicContact CD2-CB 4.01Å; L71-L77 HydrophobicContact CD1-CB 4.03Å; L71-L77 HydrophobicContact CD2-CB 4.15Å |
| 72 | E | 86 | Confident | 83 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 156 | 167.7 | -64.5 | -63.9 | 143.1 | 0 | 0 | 110.6 | D74 E75 | E72-D74 PolarHBondContact O-N 3.17Å; E72-E75 HydrophobicContact CB-CB 4.34Å; E72-E75 HydrophobicContact CB-CG 3.95Å; E72-E75 PolarHBondContact N-OE2 3.44Å; E72-E75 PolarHBondContact O-N 3.15Å |
| 73 | P | 85.4 | Confident | 82 | Confident | 134 Ų | 134 | 106.6 Ų | 106.6 | 87% | 0.87 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20.8 | -176.3 | -25.9 | 35.2 | 0 | 0 | 0 | 115.6 | ||
| 74 | D | 81.3 | Confident | 81 | Confident | 145 Ų | 145 | 106.9 Ų | 106.9 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 4 | 177.6 | 64.7 | -40.5 | 0 | 0 | 0 | 113.6 | E72 | E72-D74 PolarHBondContact O-N 3.17Š|
| 75 | E | 81.4 | Confident | 79.9 | Confident | 55 Ų | 55 | 104.7 Ų | 104.7 | 26% | 0.257 | 55% | 0.551 | S | S | . | * | trans | -96.3 | 145.7 | 176.5 | -72.8 | -176.9 | 161.1 | 0 | 0 | 111.7 | L71 E72 | L71-E75 HydrophobicContact CD2-CB 4.01Å; E72-E75 HydrophobicContact CB-CB 4.34Å; E72-E75 HydrophobicContact CB-CG 3.95Å; E72-E75 PolarHBondContact N-OE2 3.44Å; E72-E75 PolarHBondContact O-N 3.15Å | ||
| 76 | V | 81.8 | Confident | 78.6 | Confident | 125 Ų | 125 | 104.8 Ų | 104.8 | 76% | 0.758 | 55% | 0.554 | S | S | * | * | trans | -126.7 | 131.2 | 173.4 | -67.5 | 0 | 0 | 0 | 0 | 109.4 | V78 | V76-V78 HydrophobicContact CB-CG2 4.4Å; V76-V78 HydrophobicContact CG2-CG2 4.06Å | ||
| 77 | L | 83.2 | Confident | 77.1 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | trans | -88 | 124.2 | 168.5 | -179.1 | 66.4 | 0 | 0 | 0 | 108.9 | I66 L71 | I66-L77 HydrophobicContact CD1-CD2 3.86Å; L71-L77 HydrophobicContact CD1-CB 4.03Å; L71-L77 HydrophobicContact CD2-CB 4.15Å | ||
| 78 | V | 81.9 | Confident | 75.7 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 47% | 0.467 | 58% | 0.577 | S | S | . | * | trans | -128.9 | 137.9 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | V76 Y80 | V76-V78 HydrophobicContact CB-CG2 4.4Å; V76-V78 HydrophobicContact CG2-CG2 4.06Å; V78-Y80 HydrophobicContact CB-CE2 3.96Å; V78-Y80 HydrophobicContact CG1-CD2 4.31Å; V78-Y80 HydrophobicContact CG1-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CE2 3.72Å | ||
| 79 | S | 80.8 | Confident | 74.6 | Confident | 116 Ų | 116 | 106.5 Ų | 106.5 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | trans | -100.7 | 134.2 | 172 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 80 | Y | 74.6 | Confident | 73.9 | Confident | 141 Ų | 141 | 106 Ų | 106 | 55% | 0.553 | 58% | 0.575 | S | S | * | * | trans | -118.9 | 142.6 | 174.6 | -63.6 | -84.6 | 0 | 0 | 0 | 110.6 | V78 D84 L85 | V78-Y80 HydrophobicContact CB-CE2 3.96Å; V78-Y80 HydrophobicContact CG1-CD2 4.31Å; V78-Y80 HydrophobicContact CG1-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CE2 3.72Å; Y80-D84 HydrophobicContact CD1-CB 4.2Å; Y80-L85 HydrophobicContact CD2-CD1 4.12Å; Y80-L85 HydrophobicContact CG-CD1 4.14Å | ||
| 81 | D | 73.3 | Confident | 73.2 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | trans | -83.8 | 160.7 | 163.1 | -172.1 | 15.4 | 0 | 0 | 0 | 109.7 | K83 D84 L85 | D81-K83 HydrophobicContact CB-CG 4.39Å; D81-K83 PolarHBondContact O-N 3.02Å; D81-K83 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD2-CE 3.22Å; D81-D84 CarbonylContact O-C 3.53Å; D81-D84 WeakPolarHBondContact O-CA 3.26Å; D81-D84 PolarHBondContact O-N 3.17Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 2.92Å | ||
| 82 | E | 67.6 | Low | 72.9 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -51.8 | -41.1 | -175.7 | -176.6 | 172.9 | -177.2 | 0 | 0 | 113.1 | K35 D84 L85 L86 | K35-E82 IonicContact NZ-OE2 3.12Å; K35-E82 PolarHBondContact NZ-OE2 3.02Å; E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 PolarHBondContact O-N 3.26Å; E82-L85 PolarHBondContact O-N 2.98Å; E82-L86 PolarHBondContact O-N 3.26Å; E82-L86 VanDerWaalsContact O-N 3.14Å |
| 83 | K | 66.5 | Low | 72.6 | Confident | 156 Ų | 156 | 102.6 Ų | 102.6 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.4 | -26.1 | 177.5 | 62.7 | 179.8 | 179.1 | 175.3 | 0 | 114.1 | D81 | D81-K83 HydrophobicContact CB-CG 4.39Å; D81-K83 PolarHBondContact O-N 3.02Å; D81-K83 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD2-CE 3.22Å |
| 84 | D | 67.1 | Low | 72.3 | Confident | 98 Ų | 98 | 99.2 Ų | 99.2 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -94.6 | -23.9 | 178.6 | -56.9 | -43 | 0 | 0 | 0 | 111.1 | Y80 D81 E82 | Y80-D84 HydrophobicContact CD1-CB 4.2Å; D81-D84 CarbonylContact O-C 3.53Å; D81-D84 WeakPolarHBondContact O-CA 3.26Å; D81-D84 PolarHBondContact O-N 3.17Å; E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 PolarHBondContact O-N 3.26Å |
| 85 | L | 64.3 | Low | 72.3 | Confident | 69 Ų | 69 | 93 Ų | 93 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -81.3 | -32 | -178.7 | -172.3 | 69.4 | 0 | 0 | 0 | 112.5 | L30 Y80 D81 E82 P87 | L30-L85 HydrophobicContact CD1-CD1 3.65Å; L30-L85 HydrophobicContact CD1-CD2 4.38Å; L30-L85 HydrophobicContact CD2-CD1 4.34Å; L30-L85 HydrophobicContact CD2-CD2 4.28Å; Y80-L85 HydrophobicContact CD2-CD1 4.12Å; Y80-L85 HydrophobicContact CG-CD1 4.14Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 2.92Å; E82-L85 PolarHBondContact O-N 2.98Å; L85-P87 VanDerWaalsContact C-N 3.31Å; L85-P87 WeakPolarHBondContact O-CD 3.37Å; L85-P87 VanDerWaalsContact O-CG 3.27Å; L85-P87 WeakPolarHBondContact O-CG 3.3Å |
| 86 | L | 58.9 | Low | 72.6 | Confident | 87 Ų | 87 | 95 Ų | 95 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -68.8 | 91.8 | 165 | -73.3 | 174 | 0 | 0 | 0 | 106.6 | E82 | E82-L86 PolarHBondContact O-N 3.26Å; E82-L86 VanDerWaalsContact O-N 3.14Å |
| 87 | P | 53.9 | Low | 72.7 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -69.8 | 175.8 | 177.5 | 0.3 | 24.4 | 0 | 0 | 0 | 105.5 | L85 L89 | L85-P87 VanDerWaalsContact C-N 3.31Å; L85-P87 WeakPolarHBondContact O-CD 3.37Å; L85-P87 VanDerWaalsContact O-CG 3.27Å; L85-P87 WeakPolarHBondContact O-CG 3.3Å; P87-L89 HydrophobicContact CB-CG 4.13Å; P87-L89 HydrophobicContact CG-CD1 3.8Å; P87-L89 HydrophobicContact CG-CG 3.82Å; P87-L89 PolarHBondContact O-N 2.91Å | ||
| 88 | S | 57.2 | Low | 72.8 | Confident | 133 Ų | 133 | 88.9 Ų | 88.9 | 93% | 0.93 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -59.1 | 25.7 | 166.5 | 44.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 89 | L | 63.6 | Low | 73 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | trans | -59.7 | 134.7 | 166.2 | -66 | 178.4 | 0 | 0 | 0 | 109.2 | P87 I91 | P87-L89 HydrophobicContact CB-CG 4.13Å; P87-L89 HydrophobicContact CG-CD1 3.8Å; P87-L89 HydrophobicContact CG-CG 3.82Å; P87-L89 PolarHBondContact O-N 2.91Å; L89-I91 PolarHBondContact O-N 2.83Å | ||
| 90 | P | 71.3 | Confident | 73.4 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | trans | -55 | 119 | 170.7 | -23.8 | 33.2 | 0 | 0 | 0 | 109.6 | S92 K93 P94 | P90-S92 WeakPolarHBondContact CB-OG 3.18Å; P90-S92 PolarHBondContact O-N 2.97Å; P90-K93 PolarHBondContact O-N 2.67Å; P90-P94 WeakPolarHBondContact O-CD 3.17Å | ||
| 91 | I | 72.3 | Confident | 74.1 | Confident | 66 Ų | 66 | 87.5 Ų | 87.5 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -26.4 | 179.6 | -63.5 | 162 | 0 | 0 | 0 | 111.3 | L89 K93 P94 L95 I127 T131 | L89-I91 PolarHBondContact O-N 2.83Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.86Å; I91-P94 WeakPolarHBondContact O-CD 3.21Å; I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 3.99Å; I91-L95 WeakPolarHBondContact O-CB 3.42Å; I91-L95 WeakPolarHBondContact O-CG 3.19Å; I91-L95 PolarHBondContact O-N 3.35Å; I91-I127 HydrophobicContact CD1-CG2 3.99Å; I91-I127 HydrophobicContact CG1-CG2 4.06Å; I91-I127 HydrophobicContact CG2-CG2 3.73Å; I91-T131 HydrophobicContact CD1-CG2 3.75Å |
| 92 | S | 78.2 | Confident | 74.8 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.5 | -43 | 174.7 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | P90 L95 D96 | P90-S92 WeakPolarHBondContact CB-OG 3.18Å; P90-S92 PolarHBondContact O-N 2.97Å; S92-L95 PolarHBondContact O-N 2.91Å; S92-D96 WeakPolarHBondContact O-CB 3.43Å; S92-D96 PolarHBondContact O-N 3.46Å |
| 93 | K | 80 | Confident | 75.8 | Confident | 141 Ų | 141 | 82.3 Ų | 82.3 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67 | -49.1 | -174.1 | -73.2 | -174.2 | 176.9 | -173.7 | 0 | 113.5 | P90 I91 L95 D96 T97 | P90-K93 PolarHBondContact O-N 2.67Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.86Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.2Å; K93-D96 PolarHBondContact O-N 2.84Å; K93-T97 PolarHBondContact O-N 2.65Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 3.11Å |
| 94 | P | 78.5 | Confident | 76.8 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 172.4 | -25.5 | 34.3 | 0 | 0 | 0 | 112.9 | P90 I91 T97 L98 | P90-P94 WeakPolarHBondContact O-CD 3.17Å; I91-P94 WeakPolarHBondContact O-CD 3.21Å; P94-T97 PolarHBondContact O-N 3.36Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.36Å |
| 95 | L | 82.9 | Confident | 77.6 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 179.5 | -78.8 | -174.8 | 0 | 0 | 0 | 112.4 | I91 S92 K93 T97 L98 Y99 Y120 A124 I127 | I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 3.99Å; I91-L95 WeakPolarHBondContact O-CB 3.42Å; I91-L95 WeakPolarHBondContact O-CG 3.19Å; I91-L95 PolarHBondContact O-N 3.35Å; S92-L95 PolarHBondContact O-N 2.91Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.2Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.36Å; L95-Y120 HydrophobicContact CB-CD2 4.46Å; L95-Y120 HydrophobicContact CB-CE2 3.62Å; L95-Y120 HydrophobicContact CD1-CE2 4.46Å; L95-Y120 HydrophobicContact CD2-CD2 4.42Å; L95-Y120 HydrophobicContact CD2-CE2 4.21Å; L95-Y120 HydrophobicContact CG-CE2 4.32Å; L95-Y120 WeakPolarHBondContact O-CE2 3.46Å; L95-A124 HydrophobicContact CD1-CB 3.87Å; L95-A124 HydrophobicContact CD2-CB 4.24Å; L95-I127 HydrophobicContact CD2-CD1 4.03Å |
| 96 | D | 86 | Confident | 78.5 | Confident | 97 Ų | 97 | 77.8 Ų | 77.8 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175 | -69.6 | -24 | 0 | 0 | 0 | 111.1 | S92 K93 Y99 Y100 | S92-D96 WeakPolarHBondContact O-CB 3.43Å; S92-D96 PolarHBondContact O-N 3.46Å; K93-D96 PolarHBondContact O-N 2.84Å; D96-Y99 PolarHBondContact O-N 2.82Å; D96-Y100 WeakPolarHBondContact O-CB 2.82Å; D96-Y100 PolarHBondContact O-N 3.41Å |
| 97 | T | 84.8 | Confident | 79.8 | Confident | 79 Ų | 79 | 78 Ų | 78 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | K93 P94 L95 Y100 L101 | K93-T97 PolarHBondContact O-N 2.65Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 3.11Å; P94-T97 PolarHBondContact O-N 3.36Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 2.85Å; T97-Y100 PolarHBondContact O-N 3.49Å; T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.41Å; T97-L101 WeakPolarHBondContact O-CB 3.27Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.36Å; T97-L101 PolarHBondContact O-N 3.49Å |
| 98 | L | 85 | Confident | 81.2 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 175.9 | 176.7 | 63 | 0 | 0 | 0 | 111.1 | I45 L48 P94 L95 Y100 L101 L102 R123 | I45-L98 HydrophobicContact CG1-CD1 4.43Å; L48-L98 HydrophobicContact CD1-CD1 4.46Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 2.96Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.88Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.99Å; L98-R123 HydrophobicContact CD2-CB 4Å; L98-R123 HydrophobicContact CD2-CG 4.1Å |
| 99 | Y | 87.3 | Confident | 82.5 | Confident | 93 Ų | 93 | 75 Ų | 75 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 179 | -171.7 | -112.5 | 0 | 0 | 0 | 111.5 | L95 D96 L102 N103 P116 W117 Y120 | L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.36Å; D96-Y99 PolarHBondContact O-N 2.82Å; Y99-L102 PolarHBondContact O-N 3.16Å; Y99-N103 WeakPolarHBondContact CD1-ND2 3.29Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.48Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.5Å; Y99-N103 PolarHBondContact O-N 3Å; Y99-N103 VanDerWaalsContact O-N 3.07Å; Y99-N103 PolarHBondContact O-ND2 3.49Å; Y99-P116 HydrophobicContact CE2-CB 4.42Å; Y99-W117 HydrophobicContact CE2-CB 4.32Å; Y99-Y120 HydrophobicContact CD2-CD2 4.07Å; Y99-Y120 HydrophobicContact CD2-CG 4.1Å; Y99-Y120 HydrophobicContact CG-CD2 4.23Å |
| 100 | Y | 89.3 | Confident | 83.4 | Confident | 154 Ų | 154 | 76.3 Ų | 76.3 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.6 | -52 | 174.8 | 173.5 | -100.3 | 0 | 0 | 0 | 111.3 | D96 T97 L98 L102 N103 T104 | D96-Y100 WeakPolarHBondContact O-CB 2.82Å; D96-Y100 PolarHBondContact O-N 3.41Å; T97-Y100 PolarHBondContact O-N 3.49Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.88Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.15Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.13Å; Y100-T104 HydrophobicContact CD1-CG2 4.37Å; Y100-T104 HydrophobicContact CD2-CG2 4.19Å; Y100-T104 HydrophobicContact CE1-CG2 3.96Å; Y100-T104 HydrophobicContact CE2-CG2 3.76Å; Y100-T104 HydrophobicContact CG-CG2 4.48Å; Y100-T104 WeakPolarHBondContact O-CG2 3.33Å; Y100-T104 PolarHBondContact O-N 3.43Å; Y100-T104 PolarHBondContact O-OG1 3.47Å |
| 101 | L | 87.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 77 Ų | 77 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | -179.1 | -72.4 | 172.9 | 0 | 0 | 0 | 112.1 | L48 T97 L98 N103 T104 E105 | L48-L101 HydrophobicContact CD1-CB 3.93Å; L48-L101 HydrophobicContact CD2-CB 4.14Å; T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.41Å; T97-L101 WeakPolarHBondContact O-CB 3.27Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.36Å; T97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.34Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.07Å; L101-T104 WeakPolarHBondContact CA-OG1 3.29Å; L101-T104 PolarHBondContact O-N 2.95Å; L101-T104 PolarHBondContact O-OG1 3.24Å; L101-E105 WeakPolarHBondContact O-CB 3.49Å; L101-E105 PolarHBondContact O-N 3.24Å; L101-E105 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 87.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 177.3 | -71.4 | 169.9 | 0 | 0 | 0 | 112.7 | V44 L48 L98 Y99 Y100 L108 P116 L119 | V44-L102 HydrophobicContact CG1-CD2 3.92Å; L48-L102 HydrophobicContact CD1-CD2 3.97Å; L48-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.99Å; Y99-L102 PolarHBondContact O-N 3.16Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.15Å; L102-L108 HydrophobicContact CB-CD2 4.43Å; L102-L108 HydrophobicContact CD2-CD1 3.83Å; L102-L108 HydrophobicContact CD2-CD2 4.22Å; L102-P116 HydrophobicContact CB-CB 3.75Å; L102-P116 HydrophobicContact CB-CG 4.32Å; L102-L119 HydrophobicContact CD1-CB 3.87Å; L102-L119 HydrophobicContact CD2-CD1 3.97Å |
| 103 | N | 88.6 | Confident | 84.7 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.6 | -31.1 | 177.1 | -78.2 | -69.3 | 0 | 0 | 0 | 113 | Y99 Y100 L101 E105 | Y99-N103 WeakPolarHBondContact CD1-ND2 3.29Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.48Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.5Å; Y99-N103 PolarHBondContact O-N 3Å; Y99-N103 VanDerWaalsContact O-N 3.07Å; Y99-N103 PolarHBondContact O-ND2 3.49Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.07Å; N103-E105 VanDerWaalsContact C-N 3.26Å; N103-E105 PolarHBondContact O-N 3.3Å |
| 104 | T | 87.9 | Confident | 85 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -79 | -10.2 | 176.7 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | Y100 L101 T106 | Y100-T104 HydrophobicContact CD1-CG2 4.37Å; Y100-T104 HydrophobicContact CD2-CG2 4.19Å; Y100-T104 HydrophobicContact CE1-CG2 3.96Å; Y100-T104 HydrophobicContact CE2-CG2 3.76Å; Y100-T104 HydrophobicContact CG-CG2 4.48Å; Y100-T104 WeakPolarHBondContact O-CG2 3.33Å; Y100-T104 PolarHBondContact O-N 3.43Å; Y100-T104 PolarHBondContact O-OG1 3.47Å; L101-T104 WeakPolarHBondContact CA-OG1 3.29Å; L101-T104 PolarHBondContact O-N 2.95Å; L101-T104 PolarHBondContact O-OG1 3.24Å; T104-T106 PolarHBondContact O-N 3.26Å |
| 105 | E | 83.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 15% | 0.15 | 40% | 0.396 | C | S | . | . | trans | -85.8 | 110.3 | -174.9 | -175 | 170.1 | -151.4 | 0 | 0 | 112.6 | L48 L101 N103 N107 L108 R111 | L48-E105 HydrophobicContact CD2-CB 4.19Å; L48-E105 HydrophobicContact CD2-CG 4.35Å; L48-E105 WeakPolarHBondContact CD2-OE2 3.14Å; L101-E105 WeakPolarHBondContact O-CB 3.49Å; L101-E105 PolarHBondContact O-N 3.24Å; L101-E105 VanDerWaalsContact O-N 3.16Å; N103-E105 VanDerWaalsContact C-N 3.26Å; N103-E105 PolarHBondContact O-N 3.3Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 2.87Å; E105-L108 HydrophobicContact CB-CB 4.44Å; E105-L108 HydrophobicContact CG-CB 4.32Å; E105-R111 IonicContact OE1-CZ 2.67Å; E105-R111 IonicContact OE1-NH1 2.64Å; E105-R111 PolarHBondContact OE1-NH1 2.86Å; E105-R111 IonicContact OE1-NH2 3.57Å; E105-R111 PolarHBondContact OE1-NH2 2.87Å; E105-R111 IonicContact OE2-CZ 2.79Å; E105-R111 IonicContact OE2-NH1 3.4Å; E105-R111 IonicContact OE2-NH2 2.65Å; E105-R111 PolarHBondContact OE2-NH2 2.92Å | ||
| 106 | T | 84.6 | Confident | 85.6 | Confident | 122 Ų | 122 | 79.9 Ų | 79.9 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.1 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 114 | T104 | T104-T106 PolarHBondContact O-N 3.26Š|
| 107 | N | 84.7 | Confident | 85.6 | Confident | 91 Ų | 91 | 83 Ų | 83 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 10.9 | -173.4 | -68.5 | -41.8 | 0 | 0 | 0 | 113.8 | E105 F109 N110 | E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 2.87Å; N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 2.95Å; N107-N110 WeakPolarHBondContact O-CB 3.49Å; N107-N110 PolarHBondContact O-N 3.14Å; N107-N110 VanDerWaalsContact O-N 3.14Å; N107-N110 PolarHBondContact OD1-ND2 3.13Å |
| 108 | L | 84.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -58.5 | -45.2 | -174.6 | -177.3 | 63.2 | 0 | 0 | 0 | 112.3 | V44 L102 E105 N110 R111 S112 P116 L119 | V44-L108 HydrophobicContact CG1-CD1 4.26Å; L102-L108 HydrophobicContact CB-CD2 4.43Å; L102-L108 HydrophobicContact CD2-CD1 3.83Å; L102-L108 HydrophobicContact CD2-CD2 4.22Å; E105-L108 HydrophobicContact CB-CB 4.44Å; E105-L108 HydrophobicContact CG-CB 4.32Å; L108-N110 PolarHBondContact O-N 3.44Å; L108-R111 WeakPolarHBondContact O-CG 3.19Å; L108-R111 PolarHBondContact O-N 2.79Å; L108-R111 VanDerWaalsContact O-N 3.11Å; L108-S112 PolarHBondContact O-N 3.4Å; L108-P116 HydrophobicContact CD2-CB 4.33Å; L108-P116 HydrophobicContact CD2-CG 3.56Å; L108-L119 HydrophobicContact CD1-CD1 3.72Å; L108-L119 HydrophobicContact CD2-CD1 4.11Å; L108-L119 HydrophobicContact CG-CD1 4.28Å |
| 109 | F | 83.5 | Confident | 85.7 | Confident | 141 Ų | 141 | 79.3 Ų | 79.3 | 62% | 0.618 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -66.9 | -18 | -179.1 | -62.8 | -71.1 | 0 | 0 | 0 | 113.8 | N107 R111 N115 | N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 2.95Å; F109-R111 PolarHBondContact O-N 2.8Å; F109-N115 HydrophobicContact CE1-CB 4.36Å |
| 110 | N | 84.4 | Confident | 85.7 | Confident | 131 Ų | 131 | 77.8 Ų | 77.8 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -71.5 | -19.8 | 175.6 | -62.3 | -18.6 | 0 | 0 | 0 | 112 | N107 L108 | N107-N110 WeakPolarHBondContact O-CB 3.49Å; N107-N110 PolarHBondContact O-N 3.14Å; N107-N110 VanDerWaalsContact O-N 3.14Å; N107-N110 PolarHBondContact OD1-ND2 3.13Å; L108-N110 PolarHBondContact O-N 3.44Å |
| 111 | R | 81.8 | Confident | 85.5 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 32% | 0.317 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -7.5 | -176 | 69.2 | 169.4 | -172.9 | -107.5 | 3.8 | 115.2 | V44 P47 E105 L108 F109 | V44-R111 PolarHBondContact O-NH2 3.1Å; P47-R111 VanDerWaalsContact CB-NH1 3.25Å; P47-R111 VanDerWaalsContact CG-CZ 3.45Å; E105-R111 IonicContact OE1-CZ 2.67Å; E105-R111 IonicContact OE1-NH1 2.64Å; E105-R111 PolarHBondContact OE1-NH1 2.86Å; E105-R111 IonicContact OE1-NH2 3.57Å; E105-R111 PolarHBondContact OE1-NH2 2.87Å; E105-R111 IonicContact OE2-CZ 2.79Å; E105-R111 IonicContact OE2-NH1 3.4Å; E105-R111 IonicContact OE2-NH2 2.65Å; E105-R111 PolarHBondContact OE2-NH2 2.92Å; L108-R111 WeakPolarHBondContact O-CG 3.19Å; L108-R111 PolarHBondContact O-N 2.79Å; L108-R111 VanDerWaalsContact O-N 3.11Å; F109-R111 PolarHBondContact O-N 2.8Å |
| 112 | S | 81.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | trans | -137.6 | 133.8 | -179.1 | 177 | 0 | 0 | 0 | 0 | 110.3 | L108 L114 | L108-S112 PolarHBondContact O-N 3.4Å; S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact OG-N 2.88Å; S112-L114 PolarHBondContact OG-O 3.33Å | ||
| 113 | K | 85.5 | Confident | 85.1 | Confident | 216 Ų | 216 | 74.9 Ų | 74.9 | 94% | 0.939 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -77.3 | -19.2 | 167.8 | -64.1 | -177.5 | -179.5 | 179 | 0 | 112.2 | ||
| 114 | L | 85.2 | Confident | 84.8 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -84.1 | 137.9 | 176.4 | -61.8 | 177.7 | 0 | 0 | 0 | 109.9 | S112 L119 | S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact OG-N 2.88Å; S112-L114 PolarHBondContact OG-O 3.33Å; L114-L119 HydrophobicContact CB-CD2 4.12Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4Å; L114-L119 HydrophobicContact CD1-CG 4.47Å |
| 115 | N | 87.5 | Confident | 84.5 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | trans | -71 | 169.3 | 169.6 | 69.1 | 16.5 | 0 | 0 | 0 | 110.7 | F109 W117 G118 L119 | F109-N115 HydrophobicContact CE1-CB 4.36Å; N115-W117 PolarHBondContact O-N 2.83Å; N115-W117 PolarHBondContact OD1-N 2.86Å; N115-G118 PolarHBondContact O-N 3.24Å; N115-G118 VanDerWaalsContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 2.93Å; N115-L119 PolarHBondContact O-N 3.25Å | ||
| 116 | P | 86.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 76 Ų | 76 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -49.2 | -42.4 | 178.6 | -32 | 37 | 0 | 0 | 0 | 114.1 | Y99 L102 L108 L119 Y120 | Y99-P116 HydrophobicContact CE2-CB 4.42Å; L102-P116 HydrophobicContact CB-CB 3.75Å; L102-P116 HydrophobicContact CB-CG 4.32Å; L108-P116 HydrophobicContact CD2-CB 4.33Å; L108-P116 HydrophobicContact CD2-CG 3.56Å; P116-L119 PolarHBondContact O-N 3.25Å; P116-Y120 WeakPolarHBondContact O-CB 3.14Å; P116-Y120 PolarHBondContact O-N 3.33Å |
| 117 | W | 86.8 | Confident | 83.9 | Confident | 163 Ų | 163 | 72 Ų | 72 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | -179.2 | -173.9 | 92 | 0 | 0 | 0 | 112.5 | Y99 N115 L119 Y120 A121 | Y99-W117 HydrophobicContact CE2-CB 4.32Å; N115-W117 PolarHBondContact O-N 2.83Å; N115-W117 PolarHBondContact OD1-N 2.86Å; W117-L119 VanDerWaalsContact C-N 3.31Å; W117-L119 PolarHBondContact O-N 2.85Å; W117-Y120 WeakPolarHBondContact O-CB 3.34Å; W117-Y120 PolarHBondContact O-N 3.49Å; W117-A121 HydrophobicContact CE3-CB 4.3Å; W117-A121 HydrophobicContact CH2-CB 4.12Å; W117-A121 HydrophobicContact CZ2-CB 4.42Å; W117-A121 HydrophobicContact CZ3-CB 4.05Å; W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 2.82Å |
| 118 | G | 86.2 | Confident | 83.6 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | N115 A121 T122 | N115-G118 PolarHBondContact O-N 3.24Å; N115-G118 VanDerWaalsContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 2.93Å; G118-A121 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-OG1 3.06Å |
| 119 | L | 85.3 | Confident | 83.1 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 177.1 | -69.3 | 164.8 | 0 | 0 | 0 | 112.5 | V44 L102 L108 L114 N115 P116 W117 R123 | V44-L119 HydrophobicContact CB-CD2 4.29Å; V44-L119 HydrophobicContact CG1-CD1 3.55Å; V44-L119 HydrophobicContact CG1-CD2 3.91Å; V44-L119 HydrophobicContact CG1-CG 4.21Å; V44-L119 HydrophobicContact CG2-CD1 4.4Å; V44-L119 HydrophobicContact CG2-CD2 3.8Å; L102-L119 HydrophobicContact CD1-CB 3.87Å; L102-L119 HydrophobicContact CD2-CD1 3.97Å; L108-L119 HydrophobicContact CD1-CD1 3.72Å; L108-L119 HydrophobicContact CD2-CD1 4.11Å; L108-L119 HydrophobicContact CG-CD1 4.28Å; L114-L119 HydrophobicContact CB-CD2 4.12Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4Å; L114-L119 HydrophobicContact CD1-CG 4.47Å; N115-L119 PolarHBondContact O-N 3.25Å; P116-L119 PolarHBondContact O-N 3.25Å; W117-L119 VanDerWaalsContact C-N 3.31Å; W117-L119 PolarHBondContact O-N 2.85Å; L119-R123 PolarHBondContact O-N 2.96Å; L119-R123 VanDerWaalsContact O-N 3.11Å |
| 120 | Y | 87.1 | Confident | 82.5 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 24% | 0.235 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -51 | 171.7 | 170.8 | -85.7 | 0 | 0 | 0 | 111.2 | L95 Y99 P116 W117 T122 R123 A124 | L95-Y120 HydrophobicContact CB-CD2 4.46Å; L95-Y120 HydrophobicContact CB-CE2 3.62Å; L95-Y120 HydrophobicContact CD1-CE2 4.46Å; L95-Y120 HydrophobicContact CD2-CD2 4.42Å; L95-Y120 HydrophobicContact CD2-CE2 4.21Å; L95-Y120 HydrophobicContact CG-CE2 4.32Å; L95-Y120 WeakPolarHBondContact O-CE2 3.46Å; Y99-Y120 HydrophobicContact CD2-CD2 4.07Å; Y99-Y120 HydrophobicContact CD2-CG 4.1Å; Y99-Y120 HydrophobicContact CG-CD2 4.23Å; P116-Y120 WeakPolarHBondContact O-CB 3.14Å; P116-Y120 PolarHBondContact O-N 3.33Å; W117-Y120 WeakPolarHBondContact O-CB 3.34Å; W117-Y120 PolarHBondContact O-N 3.49Å; Y120-T122 PolarHBondContact O-N 3.33Å; Y120-R123 PolarHBondContact O-N 3.24Å; Y120-A124 HydrophobicContact CE1-CB 4.49Å; Y120-A124 WeakPolarHBondContact O-CB 3.38Å; Y120-A124 PolarHBondContact O-N 3.01Å |
| 121 | A | 85.1 | Confident | 81.7 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W117 G118 R123 A124 L125 | W117-A121 HydrophobicContact CE3-CB 4.3Å; W117-A121 HydrophobicContact CH2-CB 4.12Å; W117-A121 HydrophobicContact CZ2-CB 4.42Å; W117-A121 HydrophobicContact CZ3-CB 4.05Å; W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 2.82Å; G118-A121 PolarHBondContact O-N 3.49Å; A121-R123 PolarHBondContact O-N 3.02Å; A121-A124 PolarHBondContact O-N 3.37Å; A121-L125 WeakPolarHBondContact O-CG 3.45Å; A121-L125 PolarHBondContact O-N 3.1Å; A121-L125 VanDerWaalsContact O-N 3.12Å |
| 122 | T | 83.6 | Confident | 80.7 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 175 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | G118 Y120 L125 E126 | G118-T122 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-OG1 3.06Å; Y120-T122 PolarHBondContact O-N 3.33Å; T122-L125 PolarHBondContact O-N 3.37Å; T122-E126 WeakPolarHBondContact O-CG 3.45Å; T122-E126 PolarHBondContact O-N 2.88Å; T122-E126 VanDerWaalsContact O-N 3.09Å |
| 123 | R | 82.8 | Confident | 79.7 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 24% | 0.242 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 179.5 | -72.3 | -55.3 | -169 | 163.9 | 3.6 | 113.3 | L98 L119 Y120 A121 L125 E126 I127 | L98-R123 HydrophobicContact CD2-CB 4Å; L98-R123 HydrophobicContact CD2-CG 4.1Å; L119-R123 PolarHBondContact O-N 2.96Å; L119-R123 VanDerWaalsContact O-N 3.11Å; Y120-R123 PolarHBondContact O-N 3.24Å; A121-R123 PolarHBondContact O-N 3.02Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.45Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.5Å; R123-E126 IonicContact NE-OE2 3.8Å; R123-E126 IonicContact NH1-OE2 2.69Å; R123-E126 PolarHBondContact NH1-OE2 3.16Å; R123-E126 PolarHBondContact O-N 2.64Å; R123-I127 VanDerWaalsContact O-CG1 3.31Å; R123-I127 WeakPolarHBondContact O-CG1 3.48Å; R123-I127 PolarHBondContact O-N 2.89Å |
| 124 | A | 82.7 | Confident | 78.1 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L95 Y120 A121 E126 I127 E128 | L95-A124 HydrophobicContact CD1-CB 3.87Å; L95-A124 HydrophobicContact CD2-CB 4.24Å; Y120-A124 HydrophobicContact CE1-CB 4.49Å; Y120-A124 WeakPolarHBondContact O-CB 3.38Å; Y120-A124 PolarHBondContact O-N 3.01Å; A121-A124 PolarHBondContact O-N 3.37Å; A124-E126 PolarHBondContact O-N 3.44Å; A124-I127 PolarHBondContact O-N 3.42Å; A124-E128 WeakPolarHBondContact O-CG 3.42Å; A124-E128 PolarHBondContact O-N 3.4Å |
| 125 | L | 82.8 | Confident | 76 | Confident | 114 Ų | 114 | 77.8 Ų | 77.8 | 60% | 0.597 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 176.6 | -69.8 | 172.2 | 0 | 0 | 0 | 113.1 | A121 T122 R123 E128 A129 | A121-L125 WeakPolarHBondContact O-CG 3.45Å; A121-L125 PolarHBondContact O-N 3.1Å; A121-L125 VanDerWaalsContact O-N 3.12Å; T122-L125 PolarHBondContact O-N 3.37Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.45Å; L125-E128 PolarHBondContact O-N 3.43Å; L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.18Å |
| 126 | E | 80.8 | Confident | 74 | Confident | 87 Ų | 87 | 83.2 Ų | 83.2 | 41% | 0.407 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.6 | -75.8 | 178.1 | 176.6 | 0 | 0 | 112.1 | T122 R123 A124 A129 A130 | T122-E126 WeakPolarHBondContact O-CG 3.45Å; T122-E126 PolarHBondContact O-N 2.88Å; T122-E126 VanDerWaalsContact O-N 3.09Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.5Å; R123-E126 IonicContact NE-OE2 3.8Å; R123-E126 IonicContact NH1-OE2 2.69Å; R123-E126 PolarHBondContact NH1-OE2 3.16Å; R123-E126 PolarHBondContact O-N 2.64Å; A124-E126 PolarHBondContact O-N 3.44Å; E126-A129 PolarHBondContact O-N 3.45Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.2Å |
| 127 | I | 75.2 | Confident | 73.3 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 19% | 0.19 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 177.8 | -66.2 | 167.3 | 0 | 0 | 0 | 110 | I91 L95 R123 A124 A129 A130 T131 | I91-I127 HydrophobicContact CD1-CG2 3.99Å; I91-I127 HydrophobicContact CG1-CG2 4.06Å; I91-I127 HydrophobicContact CG2-CG2 3.73Å; L95-I127 HydrophobicContact CD2-CD1 4.03Å; R123-I127 VanDerWaalsContact O-CG1 3.31Å; R123-I127 WeakPolarHBondContact O-CG1 3.48Å; R123-I127 PolarHBondContact O-N 2.89Å; A124-I127 PolarHBondContact O-N 3.42Å; I127-A129 VanDerWaalsContact C-N 3.28Å; I127-A129 PolarHBondContact O-N 3.35Å; I127-A130 PolarHBondContact O-N 3.14Å; I127-A130 VanDerWaalsContact O-N 3.11Å; I127-T131 HydrophobicContact CG2-CG2 4.2Å; I127-T131 VanDerWaalsContact O-CG2 3.3Å; I127-T131 WeakPolarHBondContact O-CG2 3.31Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.39Å |
| 128 | E | 77.1 | Confident | 72.6 | Confident | 124 Ų | 124 | 82.6 Ų | 82.6 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.9 | -38.8 | 175.5 | -75.5 | 178.1 | -176.3 | 0 | 0 | 112.3 | A124 L125 T131 | A124-E128 WeakPolarHBondContact O-CG 3.42Å; A124-E128 PolarHBondContact O-N 3.4Å; L125-E128 PolarHBondContact O-N 3.43Å; E128-T131 PolarHBondContact O-OG1 3.18Å |
| 129 | A | 74.5 | Confident | 71.9 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 74% | 0.736 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L125 E126 I127 | L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.18Å; E126-A129 PolarHBondContact O-N 3.45Å; I127-A129 VanDerWaalsContact C-N 3.28Å; I127-A129 PolarHBondContact O-N 3.35Å |
| 130 | A | 70.7 | Confident | 71.1 | Confident | 68 Ų | 68 | 90.8 Ų | 90.8 | 56% | 0.562 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -83.4 | -26 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E126 I127 P132 | E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.2Å; I127-A130 PolarHBondContact O-N 3.14Å; I127-A130 VanDerWaalsContact O-N 3.11Å; A130-P132 WeakPolarHBondContact O-CD 3.26Å |
| 131 | T | 67.2 | Low | 70.1 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 32% | 0.319 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -67.8 | 125.6 | 174.9 | 52.2 | 0 | 0 | 0 | 0 | 109.7 | I91 I127 E128 K133 | I91-T131 HydrophobicContact CD1-CG2 3.75Å; I127-T131 HydrophobicContact CG2-CG2 4.2Å; I127-T131 VanDerWaalsContact O-CG2 3.3Å; I127-T131 WeakPolarHBondContact O-CG2 3.31Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.39Å; E128-T131 PolarHBondContact O-OG1 3.18Å; T131-K133 PolarHBondContact O-N 3.4Å; T131-K133 VanDerWaalsContact O-N 3.15Å |
| 132 | P | 61.4 | Low | 69.1 | Low | 120 Ų | 120 | 97.3 Ų | 97.3 | 78% | 0.779 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 124.8 | 172.1 | -19.3 | 29.9 | 0 | 0 | 0 | 108.4 | A130 A134 | A130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-A134 PolarHBondContact O-N 2.96Å |
| 133 | K | 60.3 | Low | 68.1 | Low | 195 Ų | 195 | 99.6 Ų | 99.6 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119 | 164.8 | -73 | -173.9 | 178.8 | -177.7 | 0 | 106 | T131 V135 | T131-K133 PolarHBondContact O-N 3.4Å; T131-K133 VanDerWaalsContact O-N 3.15Å; K133-V135 PolarHBondContact O-N 2.84Å |
| 134 | A | 52.1 | Low | 66.9 | Low | 88 Ų | 88 | 102.3 Ų | 102.3 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | trans | -52.9 | 109.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | P132 T136 | P132-A134 PolarHBondContact O-N 2.96Å; A134-T136 PolarHBondContact O-N 2.94Å; A134-T136 PolarHBondContact O-OG1 3.04Å | ||
| 135 | V | 41.5 | Very low | 65.6 | Low | 146 Ų | 146 | 109.8 Ų | 109.8 | 89% | 0.885 | 65% | 0.653 | S | S | * | * | trans | -59.6 | 110.5 | 170.8 | 175.5 | 0 | 0 | 0 | 0 | 104.4 | K133 | K133-V135 PolarHBondContact O-N 2.84Š| ||
| 136 | T | 43.9 | Very low | 64 | Low | 197 Ų | 197 | 109.4 Ų | 109.4 | 100% | 1.209 | 66% | 0.658 | S | S | * | * | trans | -76.1 | 0 | 175.8 | -37.5 | 0 | 0 | 0 | 0 | 108.8 | A134 | A134-T136 PolarHBondContact O-N 2.94Å; A134-T136 PolarHBondContact O-OG1 3.04Å |
Retrieved 136 of 136 residues in 23.8 ms
(Link to these results)