| 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 | 58.4 | Low | 77.9 | Confident | 208 Ų | 208 | 116.3 Ų | 116.3 | 100% | 1.025 | 59% | 0.585 | S | S | * | * | 0 | -4.7 | 0 | -81.8 | 164.7 | 172.2 | 0 | 0 | 113.7 | R3 T4 | M1-R3 PolarHBondContact O-N 3.3Å; M1-T4 PolarHBondContact O-OG1 3.01Å | |||
| 2 | T | 69.5 | Low | 78.3 | Confident | 115 Ų | 115 | 114.7 Ų | 114.7 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.6 | -21.6 | -171.2 | 51.1 | 0 | 0 | 0 | 0 | 116.7 | T4 D6 | T2-T4 PolarHBondContact O-N 3.11Å; T2-D6 PolarHBondContact O-N 3.36Å |
| 3 | R | 75 | Confident | 78.8 | Confident | 188 Ų | 188 | 110.9 Ų | 110.9 | 71% | 0.709 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | -175.4 | -172.7 | 77.8 | 147.5 | 101.7 | 3.4 | 112.4 | M1 Q7 | M1-R3 PolarHBondContact O-N 3.3Å; R3-Q7 WeakPolarHBondContact O-CG 3.5Å; R3-Q7 PolarHBondContact O-N 3.33Å |
| 4 | T | 76.9 | Confident | 79 | Confident | 105 Ų | 105 | 109.7 Ų | 109.7 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.8 | -38.4 | -176.3 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | M1 T2 Q7 S8 | M1-T4 PolarHBondContact O-OG1 3.01Å; T2-T4 PolarHBondContact O-N 3.11Å; T4-Q7 PolarHBondContact O-N 3.48Å; T4-S8 PolarHBondContact O-N 3Å |
| 5 | E | 78.4 | Confident | 79.2 | Confident | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.4 | -45.9 | 175.3 | -72 | 169.1 | 109.8 | 0 | 0 | 110.8 | Q7 S8 E9 | E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.06Å; E5-S8 WeakPolarHBondContact O-CB 3.28Å; E5-S8 PolarHBondContact O-N 3.36Å; E5-S8 VanDerWaalsContact O-N 3.15Å; E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.91Å |
| 6 | D | 83.6 | Confident | 79.4 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.1 | -42.1 | 176.3 | 177.2 | 83.3 | 0 | 0 | 0 | 112.6 | T2 E9 R10 | T2-D6 PolarHBondContact O-N 3.36Å; D6-E9 PolarHBondContact O-N 3.46Å; D6-R10 WeakPolarHBondContact O-CB 3.38Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.15Å; D6-R10 VanDerWaalsContact OD2-CD 3.31Å; D6-R10 WeakPolarHBondContact OD2-CD 3.26Å |
| 7 | Q | 81.3 | Confident | 79.6 | Confident | 78 Ų | 78 | 109.1 Ų | 109.1 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.1 | -38.4 | 176.8 | -61.6 | -55.9 | -86.9 | 0 | 0 | 112.2 | R3 T4 E5 R10 A11 | R3-Q7 WeakPolarHBondContact O-CG 3.5Å; R3-Q7 PolarHBondContact O-N 3.33Å; T4-Q7 PolarHBondContact O-N 3.48Å; E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.06Å; Q7-R10 PolarHBondContact O-N 3Å; Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.33Å; Q7-A11 PolarHBondContact O-N 3.42Å |
| 8 | S | 81.5 | Confident | 79.6 | Confident | 59 Ų | 59 | 107.1 Ų | 107.1 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -48.8 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | T4 E5 R10 A11 L12 | T4-S8 PolarHBondContact O-N 3Å; E5-S8 WeakPolarHBondContact O-CB 3.28Å; E5-S8 PolarHBondContact O-N 3.36Å; E5-S8 VanDerWaalsContact O-N 3.15Å; S8-R10 VanDerWaalsContact C-N 3.33Å; S8-R10 PolarHBondContact O-N 3.47Å; S8-A11 PolarHBondContact O-N 3.24Å; S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 3.11Å |
| 9 | E | 85.6 | Confident | 79.3 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 178 | -71.5 | -64.5 | 119.9 | 0 | 0 | 111.4 | E5 D6 L12 T13 | E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.91Å; D6-E9 PolarHBondContact O-N 3.46Å; E9-L12 PolarHBondContact O-N 3.17Å; E9-T13 VanDerWaalsContact O-CB 3.27Å; E9-T13 WeakPolarHBondContact O-CB 3.1Å; E9-T13 PolarHBondContact O-N 3.14Å; E9-T13 PolarHBondContact O-OG1 3.39Å |
| 10 | R | 86.5 | Confident | 79.2 | Confident | 147 Ų | 147 | 103.4 Ų | 103.4 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 175.2 | -71.7 | 176.8 | 70.9 | -148.7 | -0.6 | 111.9 | D6 Q7 S8 T13 V14 | D6-R10 WeakPolarHBondContact O-CB 3.38Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.15Å; D6-R10 VanDerWaalsContact OD2-CD 3.31Å; D6-R10 WeakPolarHBondContact OD2-CD 3.26Å; Q7-R10 PolarHBondContact O-N 3Å; S8-R10 VanDerWaalsContact C-N 3.33Å; S8-R10 PolarHBondContact O-N 3.47Å; R10-T13 PolarHBondContact O-N 2.76Å; R10-V14 WeakPolarHBondContact O-CG2 3.33Å; R10-V14 PolarHBondContact O-N 3.25Å |
| 11 | A | 80.4 | Confident | 79 | Confident | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q7 S8 T13 V14 V15 | Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.33Å; Q7-A11 PolarHBondContact O-N 3.42Å; S8-A11 PolarHBondContact O-N 3.24Å; A11-T13 VanDerWaalsContact C-N 3.29Å; A11-T13 PolarHBondContact O-N 2.89Å; A11-V14 PolarHBondContact O-N 3.47Å; A11-V15 WeakPolarHBondContact O-CB 3.48Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 2.92Å |
| 12 | L | 82 | Confident | 79.4 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 174.2 | -72.4 | 173.1 | 0 | 0 | 0 | 111 | S8 E9 V15 K16 | S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 3.17Å; L12-V15 PolarHBondContact O-N 3.48Å; L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å |
| 13 | T | 85.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 96 Ų | 96 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 111 | E9 R10 A11 V15 K16 D17 | E9-T13 VanDerWaalsContact O-CB 3.27Å; E9-T13 WeakPolarHBondContact O-CB 3.1Å; E9-T13 PolarHBondContact O-N 3.14Å; E9-T13 PolarHBondContact O-OG1 3.39Å; R10-T13 PolarHBondContact O-N 2.76Å; A11-T13 VanDerWaalsContact C-N 3.29Å; A11-T13 PolarHBondContact O-N 2.89Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.5Å; T13-K16 CarbonylContact O-C 3.59Å; T13-K16 PolarHBondContact O-N 3.3Å; T13-K16 VanDerWaalsContact O-N 3.17Å; T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.35Å |
| 14 | V | 81.2 | Confident | 78.8 | Confident | 94 Ų | 94 | 91.3 Ų | 91.3 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | R10 A11 T18 | R10-V14 WeakPolarHBondContact O-CG2 3.33Å; R10-V14 PolarHBondContact O-N 3.25Å; A11-V14 PolarHBondContact O-N 3.47Å; V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.18Å; V14-T18 PolarHBondContact O-OG1 2.94Å |
| 15 | V | 82.3 | Confident | 78 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | A11 L12 T13 L19 | A11-V15 WeakPolarHBondContact O-CB 3.48Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 2.92Å; L12-V15 PolarHBondContact O-N 3.48Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.5Å; V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 3.08Å |
| 16 | K | 82.4 | Confident | 77.1 | Confident | 124 Ų | 124 | 93.6 Ų | 93.6 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 179.4 | -174.7 | -175.6 | 172.1 | -167.6 | 0 | 112.3 | L12 T13 T18 L19 D20 | L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å; T13-K16 CarbonylContact O-C 3.59Å; T13-K16 PolarHBondContact O-N 3.3Å; T13-K16 VanDerWaalsContact O-N 3.17Å; K16-T18 VanDerWaalsContact C-N 3.34Å; K16-L19 CarbonylContact O-C 3.49Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.28Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-L19 VanDerWaalsContact O-N 3.12Å; K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.42Å |
| 17 | D | 83.4 | Confident | 75.8 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176 | -76.6 | -4.3 | 0 | 0 | 0 | 110.2 | T13 L19 D20 D21 | T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.35Å; D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 3.25Å; D17-D20 PolarHBondContact O-N 3.37Å; D17-D21 WeakPolarHBondContact O-CB 3.28Å; D17-D21 PolarHBondContact O-N 2.97Å |
| 18 | T | 78.9 | Confident | 74.8 | Confident | 74 Ų | 74 | 98.5 Ų | 98.5 | 45% | 0.454 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 172 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | V14 K16 I22 | V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.18Å; V14-T18 PolarHBondContact O-OG1 2.94Å; K16-T18 VanDerWaalsContact C-N 3.34Å; T18-I22 HydrophobicContact CG2-CD1 3.71Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; T18-I22 WeakPolarHBondContact O-CB 3.45Å; T18-I22 VanDerWaalsContact O-CD1 3.28Å; T18-I22 WeakPolarHBondContact O-CD1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.3Å; T18-I22 PolarHBondContact O-N 2.88Å |
| 19 | L | 73.3 | Confident | 74.2 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 31% | 0.314 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.4 | 166.8 | 62.5 | 0 | 0 | 0 | 112.4 | V15 K16 D17 I22 K23 I32 | V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 3.08Å; K16-L19 CarbonylContact O-C 3.49Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.28Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-L19 VanDerWaalsContact O-N 3.12Å; D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 3.25Å; L19-I22 PolarHBondContact O-N 3.41Å; L19-K23 VanDerWaalsContact O-CB 3.28Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 PolarHBondContact O-N 3.36Å; L19-I32 HydrophobicContact CD1-CB 4.01Å; L19-I32 HydrophobicContact CD1-CD1 3.2Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.39Å |
| 20 | D | 77.3 | Confident | 73.6 | Confident | 79 Ų | 79 | 99.5 Ų | 99.5 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | -178.2 | -81.5 | -19.5 | 0 | 0 | 0 | 111.4 | K16 D17 I22 K23 S24 | K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.42Å; D17-D20 PolarHBondContact O-N 3.37Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 2.86Å; D20-K23 PolarHBondContact O-N 3.15Å; D20-S24 PolarHBondContact O-N 3.28Å |
| 21 | D | 76.6 | Confident | 73.2 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 172.7 | -170.8 | 64.8 | 0 | 0 | 0 | 111.7 | D17 S24 | D17-D21 WeakPolarHBondContact O-CB 3.28Å; D17-D21 PolarHBondContact O-N 2.97Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å |
| 22 | I | 65.9 | Low | 73.1 | Confident | 34 Ų | 34 | 94 Ų | 94 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 175.1 | -75.7 | 173.5 | 0 | 0 | 0 | 111.6 | T18 L19 D20 S24 R25 R28 I32 | T18-I22 HydrophobicContact CG2-CD1 3.71Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; T18-I22 WeakPolarHBondContact O-CB 3.45Å; T18-I22 VanDerWaalsContact O-CD1 3.28Å; T18-I22 WeakPolarHBondContact O-CD1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.3Å; T18-I22 PolarHBondContact O-N 2.88Å; L19-I22 PolarHBondContact O-N 3.41Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 2.86Å; I22-S24 PolarHBondContact O-N 3.28Å; I22-R25 PolarHBondContact O-N 2.96Å; I22-R25 VanDerWaalsContact O-N 3.08Å; I22-R28 HydrophobicContact CG2-CB 3.62Å; I22-R28 HydrophobicContact CG2-CG 4.04Å; I22-I32 HydrophobicContact CB-CD1 4.4Å; I22-I32 HydrophobicContact CG2-CD1 3.51Å; I22-I32 HydrophobicContact CG2-CG1 3.92Å |
| 23 | K | 65.2 | Low | 73.2 | Confident | 120 Ų | 120 | 94.8 Ų | 94.8 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -25.7 | -178.1 | -174.7 | -177.8 | 175.8 | -168.8 | 0 | 112.4 | L19 D20 R25 | L19-K23 VanDerWaalsContact O-CB 3.28Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 PolarHBondContact O-N 3.36Å; D20-K23 PolarHBondContact O-N 3.15Å; K23-R25 PolarHBondContact O-N 3.38Å |
| 24 | S | 66.8 | Low | 73.2 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -16.7 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 113.4 | D20 D21 I22 | D20-S24 PolarHBondContact O-N 3.28Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å; I22-S24 PolarHBondContact O-N 3.28Å |
| 25 | R | 60.9 | Low | 73.5 | Confident | 166 Ų | 166 | 89.8 Ų | 89.8 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -113.5 | 119.3 | 171.2 | -58 | -63.2 | -173.2 | 148.2 | 1.2 | 111.4 | I22 K23 H27 R28 | I22-R25 PolarHBondContact O-N 2.96Å; I22-R25 VanDerWaalsContact O-N 3.08Å; K23-R25 PolarHBondContact O-N 3.38Å; R25-H27 PolarHBondContact O-N 3.5Å; R25-H27 VanDerWaalsContact O-N 3.11Å; R25-R28 VanDerWaalsContact CG-NH2 3.25Å; R25-R28 PolarHBondContact O-N 2.76Å; R25-R28 VanDerWaalsContact O-N 3.09Å |
| 26 | P | 59.7 | Low | 73.9 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 71% | 0.708 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -59.8 | -27.8 | -174.6 | 18.3 | -29.4 | 0 | 0 | 0 | 114.6 | R28 | P26-R28 PolarHBondContact O-N 2.87Š|
| 27 | H | 55 | Low | 74.3 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 76% | 0.764 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -72.8 | -11.9 | -179.9 | -141.7 | 76.1 | 0 | 0 | 0 | 114.3 | R25 | R25-H27 PolarHBondContact O-N 3.5Å; R25-H27 VanDerWaalsContact O-N 3.11Å |
| 28 | R | 59.6 | Low | 74.7 | Confident | 100 Ų | 100 | 78.6 Ų | 78.6 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -99.3 | -4.7 | -172.6 | -110.8 | -175.5 | -43.7 | -164 | 5.5 | 114.5 | I22 R25 P26 Q30 V31 | I22-R28 HydrophobicContact CG2-CB 3.62Å; I22-R28 HydrophobicContact CG2-CG 4.04Å; R25-R28 VanDerWaalsContact CG-NH2 3.25Å; R25-R28 PolarHBondContact O-N 2.76Å; R25-R28 VanDerWaalsContact O-N 3.09Å; P26-R28 PolarHBondContact O-N 2.87Å; R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.4Å; R28-V31 HydrophobicContact CG-CG2 4.42Å; R28-V31 WeakPolarHBondContact O-CB 3.06Å; R28-V31 PolarHBondContact O-N 2.85Å |
| 29 | Q | 69.1 | Low | 75.4 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 45% | 0.453 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 177.8 | -68.3 | -175.7 | -16.2 | 0 | 0 | 112.9 | V31 I32 I33 | Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.01Å; Q29-I32 PolarHBondContact O-N 3.01Å; Q29-I33 PolarHBondContact O-N 2.9Å |
| 30 | Q | 74.1 | Confident | 76.3 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 177.8 | -68.3 | -177.7 | -9.3 | 0 | 0 | 112.8 | R28 I32 I33 G34 | R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.4Å; Q30-I32 VanDerWaalsContact C-N 3.3Å; Q30-I32 PolarHBondContact O-N 3.3Å; Q30-I33 PolarHBondContact O-N 3.46Å; Q30-G34 PolarHBondContact O-N 2.59Å |
| 31 | V | 77.1 | Confident | 77.1 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | R28 Q29 G34 V35 V107 S111 | R28-V31 HydrophobicContact CG-CG2 4.42Å; R28-V31 WeakPolarHBondContact O-CB 3.06Å; R28-V31 PolarHBondContact O-N 2.85Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.01Å; V31-G34 CarbonylContact O-C 3.58Å; V31-G34 WeakPolarHBondContact O-CA 3.1Å; V31-G34 PolarHBondContact O-N 2.72Å; V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.06Å; V31-V35 PolarHBondContact O-N 3.27Å; V31-V107 HydrophobicContact CG2-CG1 3.3Å; V31-S111 WeakPolarHBondContact CA-OG 3.41Å; V31-S111 PolarHBondContact O-OG 3.07Å |
| 32 | I | 79.5 | Confident | 77.9 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | -177.5 | -66.9 | 149.5 | 0 | 0 | 0 | 111 | L19 I22 Q29 Q30 G34 V35 G36 | L19-I32 HydrophobicContact CD1-CB 4.01Å; L19-I32 HydrophobicContact CD1-CD1 3.2Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.39Å; I22-I32 HydrophobicContact CB-CD1 4.4Å; I22-I32 HydrophobicContact CG2-CD1 3.51Å; I22-I32 HydrophobicContact CG2-CG1 3.92Å; Q29-I32 PolarHBondContact O-N 3.01Å; Q30-I32 VanDerWaalsContact C-N 3.3Å; Q30-I32 PolarHBondContact O-N 3.3Å; I32-G34 PolarHBondContact O-N 2.71Å; I32-V35 PolarHBondContact O-N 3.34Å; I32-G36 PolarHBondContact O-N 3.31Å |
| 33 | I | 82.5 | Confident | 79.1 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 177.9 | -58.6 | 171.1 | 0 | 0 | 0 | 109.3 | Q29 Q30 S37 F108 | Q29-I33 PolarHBondContact O-N 2.9Å; Q30-I33 PolarHBondContact O-N 3.46Å; I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.43Å; I33-S37 PolarHBondContact O-N 3.48Å; I33-S37 PolarHBondContact O-OG 3.01Å; I33-F108 HydrophobicContact CB-CE2 4.49Å; I33-F108 HydrophobicContact CG2-CE2 4.19Å |
| 34 | G | 86.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.7 | -56.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q30 V31 I32 G36 S37 G38 F108 F112 | Q30-G34 PolarHBondContact O-N 2.59Å; V31-G34 CarbonylContact O-C 3.58Å; V31-G34 WeakPolarHBondContact O-CA 3.1Å; V31-G34 PolarHBondContact O-N 2.72Å; I32-G34 PolarHBondContact O-N 2.71Å; G34-G36 PolarHBondContact O-N 3.06Å; G34-S37 PolarHBondContact O-N 3.42Å; G34-S37 PolarHBondContact O-OG 2.66Å; G34-S37 VanDerWaalsContact O-OG 3.1Å; G34-G38 WeakPolarHBondContact O-CA 3.41Å; G34-G38 PolarHBondContact O-N 2.99Å; G34-F108 VanDerWaalsContact CA-CE2 3.43Å; G34-F112 VanDerWaalsContact O-CA 3.27Å; G34-F112 WeakPolarHBondContact O-CA 3.15Å |
| 35 | V | 88.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 77 Ų | 77 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V31 I32 G38 L39 | V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.06Å; V31-V35 PolarHBondContact O-N 3.27Å; I32-V35 PolarHBondContact O-N 3.34Å; V35-G38 PolarHBondContact O-N 2.81Å; V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 WeakPolarHBondContact O-CB 3.41Å; V35-L39 WeakPolarHBondContact O-CG 3.27Å; V35-L39 PolarHBondContact O-N 3Å |
| 36 | G | 89.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I32 G34 G38 L39 L40 | I32-G36 PolarHBondContact O-N 3.31Å; G34-G36 PolarHBondContact O-N 3.06Å; G36-G38 VanDerWaalsContact C-N 3.34Å; G36-L39 PolarHBondContact O-N 2.89Å; G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.13Å |
| 37 | S | 90.9 | Very high | 84.7 | Confident | 42 Ų | 42 | 71 Ų | 71 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 175.1 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | I33 G34 L40 A41 F112 | I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.43Å; I33-S37 PolarHBondContact O-N 3.48Å; I33-S37 PolarHBondContact O-OG 3.01Å; G34-S37 PolarHBondContact O-N 3.42Å; G34-S37 PolarHBondContact O-OG 2.66Å; G34-S37 VanDerWaalsContact O-OG 3.1Å; S37-L40 PolarHBondContact O-N 3.09Å; S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 2.67Å; S37-F112 WeakPolarHBondContact OG-CD2 2.93Å |
| 38 | G | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G34 V35 G36 L40 A41 G42 F112 F116 | G34-G38 WeakPolarHBondContact O-CA 3.41Å; G34-G38 PolarHBondContact O-N 2.99Å; V35-G38 PolarHBondContact O-N 2.81Å; G36-G38 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.22Å; G38-A41 PolarHBondContact O-N 2.8Å; G38-G42 PolarHBondContact O-N 3.49Å; G38-F112 VanDerWaalsContact CA-CE2 3.46Å; G38-F112 VanDerWaalsContact N-CD2 3.33Å; G38-F116 WeakPolarHBondContact O-CA 3.45Å; G38-F116 PolarHBondContact O-N 3.05Å |
| 39 | L | 92.9 | Very high | 87.8 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.1 | -77.2 | 169.2 | 0 | 0 | 0 | 111.6 | V35 G36 G42 Y43 G115 I118 A119 | V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 WeakPolarHBondContact O-CB 3.41Å; V35-L39 WeakPolarHBondContact O-CG 3.27Å; V35-L39 PolarHBondContact O-N 3Å; G36-L39 PolarHBondContact O-N 2.89Å; L39-G42 PolarHBondContact O-N 3.42Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.23Å; L39-G115 WeakPolarHBondContact CD2-O 3.24Å; L39-I118 HydrophobicContact CD2-CB 4.24Å; L39-I118 HydrophobicContact CD2-CG2 3.95Å; L39-A119 HydrophobicContact CB-CB 4.42Å; L39-A119 HydrophobicContact CD2-CB 3.88Å; L39-A119 WeakPolarHBondContact O-CB 3.4Å |
| 40 | L | 92.8 | Very high | 88.8 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 58% | 0.581 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 178.4 | -178.6 | 61.1 | 0 | 0 | 0 | 111.6 | G36 S37 G38 G42 Y43 I44 | G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.13Å; S37-L40 PolarHBondContact O-N 3.09Å; G38-L40 PolarHBondContact O-N 3.22Å; L40-G42 VanDerWaalsContact C-N 3.33Å; L40-G42 PolarHBondContact O-N 3.25Å; L40-Y43 PolarHBondContact O-N 3.42Å; L40-I44 HydrophobicContact CD1-CD1 4.15Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.2Å; L40-I44 PolarHBondContact O-N 3.47Å; L40-I44 VanDerWaalsContact O-N 3.13Å |
| 41 | A | 94.1 | Very high | 89.6 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S37 G38 I44 F45 F112 F116 | S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 2.67Å; G38-A41 PolarHBondContact O-N 2.8Å; A41-I44 PolarHBondContact O-N 2.76Å; A41-F45 WeakPolarHBondContact O-CB 3.22Å; A41-F45 PolarHBondContact O-N 2.93Å; A41-F112 HydrophobicContact CB-CE2 3.99Å; A41-F112 HydrophobicContact CB-CZ 3.84Å; A41-F116 HydrophobicContact CB-CD2 4.33Å |
| 42 | G | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G38 L39 L40 F45 A46 | G38-G42 PolarHBondContact O-N 3.49Å; L39-G42 PolarHBondContact O-N 3.42Å; L40-G42 VanDerWaalsContact C-N 3.33Å; L40-G42 PolarHBondContact O-N 3.25Å; G42-F45 PolarHBondContact O-N 3.44Å; G42-A46 VanDerWaalsContact O-CB 3.25Å; G42-A46 WeakPolarHBondContact O-CB 3.25Å; G42-A46 PolarHBondContact O-N 3.3Å |
| 43 | Y | 92.1 | Very high | 91 | Very high | 126 Ų | 126 | 64.3 Ų | 64.3 | 49% | 0.494 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 175.9 | -180 | -103.4 | 0 | 0 | 0 | 111.8 | L39 L40 A46 K47 A123 | L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 3.42Å; Y43-A46 PolarHBondContact O-N 2.86Å; Y43-K47 PolarHBondContact O-N 3.42Å; Y43-A123 HydrophobicContact CD2-CB 4.21Å |
| 44 | I | 94.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 175.5 | -64.6 | 167.6 | 0 | 0 | 0 | 110 | L40 A41 A46 K47 I48 | L40-I44 HydrophobicContact CD1-CD1 4.15Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.2Å; L40-I44 PolarHBondContact O-N 3.47Å; L40-I44 VanDerWaalsContact O-N 3.13Å; A41-I44 PolarHBondContact O-N 2.76Å; I44-A46 PolarHBondContact O-N 2.88Å; I44-K47 PolarHBondContact O-N 2.79Å; I44-I48 HydrophobicContact CG2-CD1 3.68Å; I44-I48 HydrophobicContact CG2-CG1 4.46Å; I44-I48 WeakPolarHBondContact O-CG1 3.34Å; I44-I48 PolarHBondContact O-N 2.9Å |
| 45 | F | 93.3 | Very high | 91.8 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.8 | -178.1 | -93 | 0 | 0 | 0 | 112 | A41 G42 G49 F116 I120 | A41-F45 WeakPolarHBondContact O-CB 3.22Å; A41-F45 PolarHBondContact O-N 2.93Å; G42-F45 PolarHBondContact O-N 3.44Å; F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.11Å; F45-F116 HydrophobicContact CB-CE2 3.77Å; F45-F116 HydrophobicContact CB-CZ 4.17Å; F45-F116 HydrophobicContact CD1-CE2 4.21Å; F45-F116 AromaticContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CZ 4.19Å; F45-F116 AromaticContact CG-CE2 3.94Å; F45-F116 HydrophobicContact CG-CE2 3.94Å; F45-F116 AromaticContact CG-CZ 3.82Å; F45-F116 HydrophobicContact CG-CZ 3.82Å; F45-I120 HydrophobicContact CD1-CD1 3.64Å; F45-I120 HydrophobicContact CD1-CG1 4.21Å; F45-I120 HydrophobicContact CE1-CD1 4.04Å |
| 46 | A | 91.5 | Very high | 92 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.033 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G42 Y43 I44 R50 I120 A123 | G42-A46 VanDerWaalsContact O-CB 3.25Å; G42-A46 WeakPolarHBondContact O-CB 3.25Å; G42-A46 PolarHBondContact O-N 3.3Å; Y43-A46 PolarHBondContact O-N 2.86Å; I44-A46 PolarHBondContact O-N 2.88Å; A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 WeakPolarHBondContact O-CD 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.37Å; A46-R50 PolarHBondContact O-N 3.31Å; A46-I120 HydrophobicContact CB-CG1 4.34Å; A46-A123 HydrophobicContact CB-CB 3.17Å |
| 47 | K | 89.7 | Confident | 92.1 | Very high | 143 Ų | 143 | 74.7 Ų | 74.7 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.6 | -49.1 | -179.7 | -160.7 | 170.3 | -171 | 174.9 | 0 | 112.3 | Y43 I44 | Y43-K47 PolarHBondContact O-N 3.42Å; I44-K47 PolarHBondContact O-N 2.79Å |
| 48 | I | 91 | Very high | 92.2 | Very high | 114 Ų | 114 | 74.5 Ų | 74.5 | 59% | 0.585 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.2 | -43.6 | 180 | -60.5 | 174.5 | 0 | 0 | 0 | 110.4 | I44 A51 A52 | I44-I48 HydrophobicContact CG2-CD1 3.68Å; I44-I48 HydrophobicContact CG2-CG1 4.46Å; I44-I48 WeakPolarHBondContact O-CG1 3.34Å; I44-I48 PolarHBondContact O-N 2.9Å; I48-A51 PolarHBondContact O-N 3.39Å; I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 3.46Å |
| 49 | G | 90.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 78.4 Ų | 78.4 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F45 A52 A53 | F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.11Å; G49-A52 PolarHBondContact O-N 3.13Å; G49-A53 WeakPolarHBondContact O-CB 3.37Å; G49-A53 PolarHBondContact O-N 3.48Å |
| 50 | R | 88.4 | Confident | 92 | Very high | 120 Ų | 120 | 79.8 Ų | 79.8 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 171.6 | -74.7 | 173.3 | -179.3 | -169.6 | 3.4 | 111.6 | A46 A53 L54 I120 A123 | A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 WeakPolarHBondContact O-CD 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.37Å; A46-R50 PolarHBondContact O-N 3.31Å; R50-A53 PolarHBondContact O-N 3.14Å; R50-L54 WeakPolarHBondContact O-CB 3.34Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 2.91Å; R50-I120 PolarHBondContact NH2-O 3.49Å; R50-A123 PolarHBondContact NH1-O 2.85Å; R50-A123 PolarHBondContact NH1-OXT 3.38Å; R50-A123 PolarHBondContact NH2-OXT 2.95Å |
| 51 | A | 91.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 79.7 Ų | 79.7 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I48 A53 L54 L55 | I48-A51 PolarHBondContact O-N 3.39Å; A51-A53 PolarHBondContact O-N 3.13Å; A51-L54 PolarHBondContact O-N 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.12Å; A51-L55 PolarHBondContact O-N 3.07Å |
| 52 | A | 93.7 | Very high | 91.4 | Very high | 43 Ų | 43 | 81 Ų | 81 | 36% | 0.355 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I48 G49 L55 L56 | I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 3.46Å; G49-A52 PolarHBondContact O-N 3.13Å; A52-L55 PolarHBondContact O-N 3.12Å; A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.13Å; A52-L56 PolarHBondContact O-N 3.47Å |
| 53 | A | 92.2 | Very high | 91 | Very high | 62 Ų | 62 | 84 Ų | 84 | 51% | 0.512 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G49 R50 A51 G57 | G49-A53 WeakPolarHBondContact O-CB 3.37Å; G49-A53 PolarHBondContact O-N 3.48Å; R50-A53 PolarHBondContact O-N 3.14Å; A51-A53 PolarHBondContact O-N 3.13Å; A53-G57 PolarHBondContact O-N 2.83Å |
| 54 | L | 92.5 | Very high | 90.4 | Very high | 132 Ų | 132 | 83.3 Ų | 83.3 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 174 | -75.1 | 174.4 | 0 | 0 | 0 | 111.9 | R50 A51 G58 | R50-L54 WeakPolarHBondContact O-CB 3.34Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 2.91Å; A51-L54 PolarHBondContact O-N 3.44Å; L54-G58 VanDerWaalsContact O-CA 3.3Å; L54-G58 WeakPolarHBondContact O-CA 3.42Å; L54-G58 PolarHBondContact O-N 3.44Å |
| 55 | L | 93.8 | Very high | 89.8 | Confident | 132 Ų | 132 | 82.5 Ų | 82.5 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.6 | -46.7 | 176.4 | -72.2 | 174.4 | 0 | 0 | 0 | 111.8 | A51 A52 S59 | A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.12Å; A51-L55 PolarHBondContact O-N 3.07Å; A52-L55 PolarHBondContact O-N 3.12Å; L55-S59 WeakPolarHBondContact O-CB 3.37Å; L55-S59 PolarHBondContact O-N 2.76Å |
| 56 | L | 92.1 | Very high | 89 | Confident | 133 Ų | 133 | 77.7 Ų | 77.7 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.7 | -46.4 | 178.9 | -68.5 | 175.7 | 0 | 0 | 0 | 111.5 | A52 L60 | A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.13Å; A52-L56 PolarHBondContact O-N 3.47Å; L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 PolarHBondContact O-N 2.79Å; L56-L60 VanDerWaalsContact O-N 3.08Å |
| 57 | G | 92.1 | Very high | 88.2 | Confident | 31 Ų | 31 | 81 Ų | 81 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A53 S59 L60 I61 | A53-G57 PolarHBondContact O-N 2.83Å; G57-S59 PolarHBondContact O-N 3.46Å; G57-L60 WeakPolarHBondContact O-CB 3.49Å; G57-L60 PolarHBondContact O-N 3.34Å; G57-I61 WeakPolarHBondContact O-CG1 3.47Å; G57-I61 PolarHBondContact O-N 3.41Å |
| 58 | G | 93.1 | Very high | 87.4 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L54 L60 I61 A62 | L54-G58 VanDerWaalsContact O-CA 3.3Å; L54-G58 WeakPolarHBondContact O-CA 3.42Å; L54-G58 PolarHBondContact O-N 3.44Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.2Å; G58-I61 PolarHBondContact O-N 3.35Å; G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.44Å |
| 59 | S | 90.4 | Very high | 86.1 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.6 | -43.4 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | L55 G57 I61 A62 L63 | L55-S59 WeakPolarHBondContact O-CB 3.37Å; L55-S59 PolarHBondContact O-N 2.76Å; G57-S59 PolarHBondContact O-N 3.46Å; S59-I61 PolarHBondContact O-N 2.98Å; S59-A62 PolarHBondContact O-N 3.45Å; S59-L63 WeakPolarHBondContact O-CB 3.24Å; S59-L63 PolarHBondContact O-N 2.87Å |
| 60 | L | 89.3 | Confident | 84.7 | Confident | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.8 | -173.6 | 63.5 | 0 | 0 | 0 | 112.8 | L56 G57 G58 Q64 | L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 PolarHBondContact O-N 2.79Å; L56-L60 VanDerWaalsContact O-N 3.08Å; G57-L60 WeakPolarHBondContact O-CB 3.49Å; G57-L60 PolarHBondContact O-N 3.34Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.2Å; L60-Q64 WeakPolarHBondContact O-CG 3.31Å; L60-Q64 PolarHBondContact O-N 3.33Å |
| 61 | I | 89.6 | Confident | 83.2 | Confident | 110 Ų | 110 | 89 Ų | 89 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.6 | -47.5 | 176 | -65.4 | 167.7 | 0 | 0 | 0 | 110.4 | G57 G58 S59 L63 Q64 C65 | G57-I61 WeakPolarHBondContact O-CG1 3.47Å; G57-I61 PolarHBondContact O-N 3.41Å; G58-I61 PolarHBondContact O-N 3.35Å; S59-I61 PolarHBondContact O-N 2.98Å; I61-L63 PolarHBondContact O-N 3.31Å; I61-Q64 PolarHBondContact O-N 2.9Å; I61-Q64 VanDerWaalsContact O-N 3.11Å; I61-C65 PolarHBondContact O-N 3.38Å; I61-C65 PolarHBondContact O-SG 3.4Å |
| 62 | A | 85.7 | Confident | 81.8 | Confident | 59 Ų | 59 | 91 Ų | 91 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G58 S59 C65 A66 | G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.44Å; S59-A62 PolarHBondContact O-N 3.45Å; A62-C65 PolarHBondContact O-N 2.75Å; A62-A66 WeakPolarHBondContact O-CB 3.28Å; A62-A66 PolarHBondContact O-N 3.39Å |
| 63 | L | 84.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 97.3 Ų | 97.3 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.2 | -170.3 | 63.3 | 0 | 0 | 0 | 112 | S59 I61 A66 V67 I74 | S59-L63 WeakPolarHBondContact O-CB 3.24Å; S59-L63 PolarHBondContact O-N 2.87Å; I61-L63 PolarHBondContact O-N 3.31Å; L63-A66 PolarHBondContact O-N 2.96Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.87Å; L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 3.91Å; L63-I74 HydrophobicContact CG-CD1 3.57Å |
| 64 | Q | 80.5 | Confident | 79.1 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.2 | -71.5 | 177.3 | 56 | 0 | 0 | 112 | L60 I61 A66 V67 Q68 | L60-Q64 WeakPolarHBondContact O-CG 3.31Å; L60-Q64 PolarHBondContact O-N 3.33Å; I61-Q64 PolarHBondContact O-N 2.9Å; I61-Q64 VanDerWaalsContact O-N 3.11Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.45Å; Q64-V67 PolarHBondContact O-N 3.01Å; Q64-Q68 PolarHBondContact O-N 2.94Å; Q64-Q68 VanDerWaalsContact O-N 3.14Å |
| 65 | C | 79.8 | Confident | 78.2 | Confident | 66 Ų | 66 | 94.9 Ų | 94.9 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.2 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | I61 A62 Q68 Q69 | I61-C65 PolarHBondContact O-N 3.38Å; I61-C65 PolarHBondContact O-SG 3.4Å; A62-C65 PolarHBondContact O-N 2.75Å; C65-Q68 PolarHBondContact O-N 3Å; C65-Q69 WeakPolarHBondContact O-CG 3.47Å; C65-Q69 PolarHBondContact O-N 3.31Å; C65-Q69 VanDerWaalsContact O-N 3.11Å |
| 66 | A | 78.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 97 Ų | 97 | 13% | 0.132 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A62 L63 Q64 Q69 I72 | A62-A66 WeakPolarHBondContact O-CB 3.28Å; A62-A66 PolarHBondContact O-N 3.39Å; L63-A66 PolarHBondContact O-N 2.96Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.45Å; A66-Q69 PolarHBondContact O-N 3.4Å; A66-I72 HydrophobicContact CB-CB 4.3Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.97Å |
| 67 | V | 73.3 | Confident | 76.8 | Confident | 75 Ų | 75 | 98.1 Ų | 98.1 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L63 Q64 Q69 D70 I74 | L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.87Å; Q64-V67 PolarHBondContact O-N 3.01Å; V67-Q69 VanDerWaalsContact C-N 3.26Å; V67-Q69 PolarHBondContact O-N 3.46Å; V67-D70 PolarHBondContact O-N 3.44Å; V67-I74 HydrophobicContact CG2-CD1 3.32Å; V67-I74 HydrophobicContact CG2-CG1 4.19Å |
| 68 | Q | 73.6 | Confident | 76.2 | Confident | 166 Ų | 166 | 104.4 Ų | 104.4 | 78% | 0.776 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -31.8 | 178 | -72 | -174.9 | 12.5 | 0 | 0 | 113 | Q64 C65 D70 | Q64-Q68 PolarHBondContact O-N 2.94Å; Q64-Q68 VanDerWaalsContact O-N 3.14Å; C65-Q68 PolarHBondContact O-N 3Å; Q68-D70 PolarHBondContact O-N 3.03Å |
| 69 | Q | 62.8 | Low | 75.5 | Confident | 149 Ų | 149 | 106.5 Ų | 106.5 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1.6 | 176.2 | -70.6 | -174 | -32.2 | 0 | 0 | 113.4 | C65 A66 V67 V71 | C65-Q69 WeakPolarHBondContact O-CG 3.47Å; C65-Q69 PolarHBondContact O-N 3.31Å; C65-Q69 VanDerWaalsContact O-N 3.11Å; A66-Q69 PolarHBondContact O-N 3.4Å; V67-Q69 VanDerWaalsContact C-N 3.26Å; V67-Q69 PolarHBondContact O-N 3.46Å; Q69-V71 HydrophobicContact CB-CG2 4.2Å; Q69-V71 VanDerWaalsContact O-CG2 3.28Å; Q69-V71 WeakPolarHBondContact O-CG2 3.22Å; Q69-V71 PolarHBondContact O-N 3.14Å |
| 70 | D | 62.6 | Low | 75 | Confident | 137 Ų | 137 | 109.4 Ų | 109.4 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 14.2 | 179.7 | -157.6 | 53.9 | 0 | 0 | 0 | 114.6 | V67 Q68 | V67-D70 PolarHBondContact O-N 3.44Å; Q68-D70 PolarHBondContact O-N 3.03Å |
| 71 | V | 56.9 | Low | 74.7 | Confident | 113 Ų | 113 | 111.5 Ų | 111.5 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | trans | -86.3 | -23.5 | -176 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | Q69 | Q69-V71 HydrophobicContact CB-CG2 4.2Å; Q69-V71 VanDerWaalsContact O-CG2 3.28Å; Q69-V71 WeakPolarHBondContact O-CG2 3.22Å; Q69-V71 PolarHBondContact O-N 3.14Å | ||
| 72 | I | 61.8 | Low | 74.3 | Confident | 91 Ų | 91 | 108.6 Ų | 108.6 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | trans | -124.1 | 106.5 | -169.8 | -52.8 | -170.8 | 0 | 0 | 0 | 112.6 | A66 I74 | A66-I72 HydrophobicContact CB-CB 4.3Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.97Å; I72-I74 HydrophobicContact CG2-CG1 4.36Å; I72-I74 PolarHBondContact O-N 3.33Å; I72-I74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | H | 63.7 | Low | 73.9 | Confident | 177 Ų | 177 | 107.5 Ų | 107.5 | 82% | 0.819 | 54% | 0.537 | S | S | * | . | trans | -72.1 | 99.5 | 166.1 | -70.5 | 83 | 0 | 0 | 0 | 110.1 | N75 | H73-N75 PolarHBondContact O-N 3.02Š| ||
| 74 | I | 66.3 | Low | 73.7 | Confident | 38 Ų | 38 | 109.6 Ų | 109.6 | 20% | 0.195 | 55% | 0.548 | C | S | . | . | trans | -72 | 114.5 | 176.7 | -60.5 | 169.6 | 0 | 0 | 0 | 109.4 | L63 V67 I72 W76 | L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 3.91Å; L63-I74 HydrophobicContact CG-CD1 3.57Å; V67-I74 HydrophobicContact CG2-CD1 3.32Å; V67-I74 HydrophobicContact CG2-CG1 4.19Å; I72-I74 HydrophobicContact CG2-CG1 4.36Å; I72-I74 PolarHBondContact O-N 3.33Å; I72-I74 VanDerWaalsContact O-N 3.15Å; I74-W76 HydrophobicContact CD1-CZ2 4.3Å; I74-W76 HydrophobicContact CG2-CD2 3.97Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.34Å; I74-W76 HydrophobicContact CG2-CZ2 4.18Å; I74-W76 PolarHBondContact O-N 3.17Å | ||
| 75 | N | 72.7 | Confident | 73.5 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | trans | -79 | 84.2 | 172.1 | -167.1 | -33.8 | 0 | 0 | 0 | 110.4 | H73 R77 K78 | H73-N75 PolarHBondContact O-N 3.02Å; N75-R77 PolarHBondContact O-N 3.25Å; N75-R77 VanDerWaalsContact OD1-CB 3.3Å; N75-R77 WeakPolarHBondContact OD1-CB 3.49Å; N75-R77 PolarHBondContact OD1-N 3.12Å; N75-K78 PolarHBondContact O-N 2.75Å | ||
| 76 | W | 76.6 | Confident | 73.2 | Confident | 178 Ų | 178 | 115.7 Ų | 115.7 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -51.9 | -29.4 | 178.5 | -67.6 | 105.2 | 0 | 0 | 0 | 113.9 | I74 K78 V79 E80 | I74-W76 HydrophobicContact CD1-CZ2 4.3Å; I74-W76 HydrophobicContact CG2-CD2 3.97Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.34Å; I74-W76 HydrophobicContact CG2-CZ2 4.18Å; I74-W76 PolarHBondContact O-N 3.17Å; W76-K78 PolarHBondContact O-N 2.92Å; W76-V79 WeakPolarHBondContact O-CB 3.2Å; W76-V79 PolarHBondContact O-N 3.5Å; W76-V79 VanDerWaalsContact O-N 3.09Å; W76-E80 PolarHBondContact O-N 3.3Å |
| 77 | R | 79 | Confident | 72.8 | Confident | 155 Ų | 155 | 122.1 Ų | 122.1 | 59% | 0.585 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -26.3 | 179.5 | -152.9 | 177.9 | 70.1 | 109.7 | -0.6 | 113.2 | N75 R81 | N75-R77 PolarHBondContact O-N 3.25Å; N75-R77 VanDerWaalsContact OD1-CB 3.3Å; N75-R77 WeakPolarHBondContact OD1-CB 3.49Å; N75-R77 PolarHBondContact OD1-N 3.12Å; R77-R81 WeakPolarHBondContact O-CG 3.43Å |
| 78 | K | 79.9 | Confident | 72.5 | Confident | 164 Ų | 164 | 122.5 Ų | 122.5 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.1 | -35 | 174.6 | -166.2 | 174.6 | -178.5 | -178.8 | 0 | 111.4 | N75 W76 A82 | N75-K78 PolarHBondContact O-N 2.75Å; W76-K78 PolarHBondContact O-N 2.92Å; K78-A82 PolarHBondContact O-N 3.47Å |
| 79 | V | 78.1 | Confident | 72.1 | Confident | 81 Ų | 81 | 120.8 Ų | 120.8 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.5 | -46.8 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | W76 R81 A82 G83 | W76-V79 WeakPolarHBondContact O-CB 3.2Å; W76-V79 PolarHBondContact O-N 3.5Å; W76-V79 VanDerWaalsContact O-N 3.09Å; V79-R81 PolarHBondContact O-N 2.88Å; V79-A82 WeakPolarHBondContact O-CB 3.39Å; V79-A82 PolarHBondContact O-N 3.44Å; V79-G83 PolarHBondContact O-N 2.84Å |
| 80 | E | 80.3 | Confident | 72.3 | Confident | 142 Ų | 142 | 117.5 Ų | 117.5 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57 | -49.7 | 178.5 | -171.6 | 59.7 | -148.2 | 0 | 0 | 112.1 | W76 A82 G83 D84 | W76-E80 PolarHBondContact O-N 3.3Å; E80-A82 PolarHBondContact O-N 3.5Å; E80-G83 PolarHBondContact O-N 3.31Å; E80-G83 VanDerWaalsContact O-N 3.12Å; E80-D84 PolarHBondContact O-N 3.41Å; E80-D84 VanDerWaalsContact O-N 3.07Å |
| 81 | R | 82.3 | Confident | 72.2 | Confident | 144 Ų | 144 | 114.6 Ų | 114.6 | 54% | 0.543 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.6 | -25.9 | 177.4 | -72.9 | 175.5 | 173.1 | -170.4 | -9.1 | 113.6 | R77 V79 | R77-R81 WeakPolarHBondContact O-CG 3.43Å; V79-R81 PolarHBondContact O-N 2.88Å |
| 82 | A | 81.3 | Confident | 72.6 | Confident | 49 Ų | 49 | 113.4 Ų | 113.4 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77.3 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | K78 V79 E80 R85 I86 | K78-A82 PolarHBondContact O-N 3.47Å; V79-A82 WeakPolarHBondContact O-CB 3.39Å; V79-A82 PolarHBondContact O-N 3.44Å; E80-A82 PolarHBondContact O-N 3.5Å; A82-R85 PolarHBondContact O-N 2.8Å; A82-I86 WeakPolarHBondContact O-CG1 3.19Å; A82-I86 PolarHBondContact O-N 2.94Å |
| 83 | G | 78.3 | Confident | 73 | Confident | 37 Ų | 37 | 114.3 Ų | 114.3 | 38% | 0.381 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.4 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V79 E80 R85 I86 Q87 | V79-G83 PolarHBondContact O-N 2.84Å; E80-G83 PolarHBondContact O-N 3.31Å; E80-G83 VanDerWaalsContact O-N 3.12Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.66Å; G83-I86 PolarHBondContact O-N 2.77Å; G83-Q87 PolarHBondContact O-N 3.45Å |
| 84 | D | 79.4 | Confident | 73.1 | Confident | 107 Ų | 107 | 114.9 Ų | 114.9 | 57% | 0.572 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.5 | -37.1 | -179.1 | -167.8 | 41.5 | 0 | 0 | 0 | 113 | E80 I86 S88 | E80-D84 PolarHBondContact O-N 3.41Å; E80-D84 VanDerWaalsContact O-N 3.07Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.25Å; D84-S88 PolarHBondContact O-N 2.81Å; D84-S88 PolarHBondContact O-OG 2.96Å |
| 85 | R | 75.9 | Confident | 73.6 | Confident | 192 Ų | 192 | 117.8 Ų | 117.8 | 73% | 0.725 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68 | -30.4 | 174.1 | -72 | -174.6 | -161.1 | -142.8 | 0.5 | 113.5 | A82 G83 S88 N89 | A82-R85 PolarHBondContact O-N 2.8Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.66Å; R85-S88 PolarHBondContact O-OG 3.43Å; R85-S88 VanDerWaalsContact O-OG 3.14Å; R85-N89 PolarHBondContact O-ND2 2.81Å; R85-N89 VanDerWaalsContact O-ND2 3.08Å |
| 86 | I | 74.8 | Confident | 74.1 | Confident | 115 Ų | 115 | 115.4 Ų | 115.4 | 59% | 0.59 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -78.9 | -43.8 | 179.9 | -64.1 | 165.4 | 0 | 0 | 0 | 109.8 | A82 G83 D84 S88 N89 T90 | A82-I86 WeakPolarHBondContact O-CG1 3.19Å; A82-I86 PolarHBondContact O-N 2.94Å; G83-I86 PolarHBondContact O-N 2.77Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.25Å; I86-S88 PolarHBondContact O-N 2.94Å; I86-N89 PolarHBondContact O-N 3.41Å; I86-T90 PolarHBondContact O-OG1 3.2Å |
| 87 | Q | 69 | Low | 74.5 | Confident | 150 Ų | 150 | 114.4 Ų | 114.4 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.9 | -40.7 | -176.8 | -170.6 | 171.5 | 42.9 | 0 | 0 | 112.3 | G83 N89 T90 | G83-Q87 PolarHBondContact O-N 3.45Å; Q87-N89 PolarHBondContact O-N 3Å; Q87-T90 PolarHBondContact O-N 3.08Å |
| 88 | S | 67.4 | Low | 74.8 | Confident | 83 Ų | 83 | 109.9 Ų | 109.9 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -21.3 | 179.7 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | D84 R85 I86 | D84-S88 PolarHBondContact O-N 2.81Å; D84-S88 PolarHBondContact O-OG 2.96Å; R85-S88 PolarHBondContact O-OG 3.43Å; R85-S88 VanDerWaalsContact O-OG 3.14Å; I86-S88 PolarHBondContact O-N 2.94Å |
| 89 | N | 64.8 | Low | 75.2 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 3.7 | -177 | -70.8 | -74 | 0 | 0 | 0 | 114.9 | R85 I86 Q87 P91 | R85-N89 PolarHBondContact O-ND2 2.81Å; R85-N89 VanDerWaalsContact O-ND2 3.08Å; I86-N89 PolarHBondContact O-N 3.41Å; Q87-N89 PolarHBondContact O-N 3Å; N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.24Å |
| 90 | T | 66.2 | Low | 75.8 | Confident | 80 Ų | 80 | 109.2 Ų | 109.2 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | trans | -113 | 44.1 | -174.7 | -40.2 | 0 | 0 | 0 | 0 | 114.7 | I86 Q87 V92 | I86-T90 PolarHBondContact O-OG1 3.2Å; Q87-T90 PolarHBondContact O-N 3.08Å; T90-V92 PolarHBondContact O-N 2.93Å | ||
| 91 | P | 62 | Low | 76.1 | Confident | 76 Ų | 76 | 105 Ų | 105 | 49% | 0.494 | 55% | 0.549 | S | S | . | . | trans | -73.5 | -16.2 | 170.9 | 30.2 | -32.2 | 0 | 0 | 0 | 112.9 | N89 I93 F94 E95 | N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.24Å; P91-I93 PolarHBondContact O-N 2.65Å; P91-F94 PolarHBondContact O-N 3.04Å; P91-F94 VanDerWaalsContact O-N 3.12Å; P91-E95 WeakPolarHBondContact O-CG 3.31Å; P91-E95 PolarHBondContact O-N 3.4Å | ||
| 92 | V | 64.5 | Low | 76.4 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -51 | -46.7 | -169.6 | 146.9 | 0 | 0 | 0 | 0 | 113.7 | T90 F94 I98 | T90-V92 PolarHBondContact O-N 2.93Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.23Å; V92-I98 HydrophobicContact CG1-CD1 4.17Å; V92-I98 WeakPolarHBondContact O-CD1 3.13Å |
| 93 | I | 69.6 | Low | 76.8 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -71.5 | -29.2 | -173.6 | -56 | -63.8 | 0 | 0 | 0 | 112.5 | P91 | P91-I93 PolarHBondContact O-N 2.65Š|
| 94 | F | 66.4 | Low | 77.3 | Confident | 188 Ų | 188 | 109 Ų | 109 | 83% | 0.825 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -98.5 | 4.7 | -175.8 | -75.8 | -83.3 | 0 | 0 | 0 | 113.5 | P91 V92 G96 | P91-F94 PolarHBondContact O-N 3.04Å; P91-F94 VanDerWaalsContact O-N 3.12Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.23Å; F94-G96 PolarHBondContact O-N 3.45Å |
| 95 | E | 77.9 | Confident | 77.6 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | trans | -65.6 | 128.8 | 172.9 | -69.4 | -153.2 | 137.9 | 0 | 0 | 110.5 | P91 K97 I98 | P91-E95 WeakPolarHBondContact O-CG 3.31Å; P91-E95 PolarHBondContact O-N 3.4Å; E95-K97 HydrophobicContact CB-CB 4.47Å; E95-K97 PolarHBondContact O-N 3.31Å; E95-I98 PolarHBondContact O-N 3.3Å | ||
| 96 | G | 81.7 | Confident | 78.1 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 56% | 0.557 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.7 | -20.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F94 I99 K100 | F94-G96 PolarHBondContact O-N 3.45Å; G96-I99 PolarHBondContact O-N 3.45Å; G96-K100 WeakPolarHBondContact O-CB 3.27Å; G96-K100 PolarHBondContact O-N 3.23Å |
| 97 | K | 86.8 | Confident | 78.5 | Confident | 158 Ų | 158 | 103.8 Ų | 103.8 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 172 | -168 | 178 | -178.1 | -178.5 | 0 | 112.4 | E95 K100 T101 | E95-K97 HydrophobicContact CB-CB 4.47Å; E95-K97 PolarHBondContact O-N 3.31Å; K97-K100 PolarHBondContact O-N 3.31Å; K97-T101 PolarHBondContact O-N 3.05Å; K97-T101 PolarHBondContact O-OG1 3.32Å |
| 98 | I | 85.4 | Confident | 79.3 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.6 | -64.3 | -162.2 | 0 | 0 | 0 | 110.4 | V92 E95 K100 T101 I102 | V92-I98 HydrophobicContact CG1-CD1 4.17Å; V92-I98 WeakPolarHBondContact O-CD1 3.13Å; E95-I98 PolarHBondContact O-N 3.3Å; I98-K100 VanDerWaalsContact C-N 3.28Å; I98-K100 PolarHBondContact O-N 3.1Å; I98-T101 PolarHBondContact O-N 3.18Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I98-I102 HydrophobicContact CG2-CD1 3.89Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 2.81Å |
| 99 | I | 87.5 | Confident | 80.4 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.6 | -58 | -57.9 | 0 | 0 | 0 | 110.4 | G96 T101 I102 E103 | G96-I99 PolarHBondContact O-N 3.45Å; I99-T101 PolarHBondContact O-N 2.82Å; I99-I102 PolarHBondContact O-N 2.87Å; I99-E103 WeakPolarHBondContact O-CB 3.43Å; I99-E103 PolarHBondContact O-N 2.78Å |
| 100 | K | 89.8 | Confident | 81.6 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176.1 | -166.3 | 179.7 | -179 | -173.5 | 0 | 112.1 | G96 K97 I98 E103 E104 | G96-K100 WeakPolarHBondContact O-CB 3.27Å; G96-K100 PolarHBondContact O-N 3.23Å; K97-K100 PolarHBondContact O-N 3.31Å; I98-K100 VanDerWaalsContact C-N 3.28Å; I98-K100 PolarHBondContact O-N 3.1Å; K100-E103 PolarHBondContact O-N 3.42Å; K100-E104 VanDerWaalsContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CE-OE1 3.02Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 WeakPolarHBondContact O-CB 3.18Å; K100-E104 VanDerWaalsContact O-CG 3.27Å; K100-E104 WeakPolarHBondContact O-CG 3.28Å; K100-E104 PolarHBondContact O-N 3.39Å |
| 101 | T | 88.1 | Confident | 82.7 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 34% | 0.337 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | K97 I98 I99 E103 N105 F109 | K97-T101 PolarHBondContact O-N 3.05Å; K97-T101 PolarHBondContact O-OG1 3.32Å; I98-T101 PolarHBondContact O-N 3.18Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I99-T101 PolarHBondContact O-N 2.82Å; T101-E103 VanDerWaalsContact C-N 3.35Å; T101-N105 WeakPolarHBondContact O-CB 3.28Å; T101-N105 PolarHBondContact O-N 2.81Å; T101-N105 PolarHBondContact O-ND2 3.43Å; T101-N105 VanDerWaalsContact O-ND2 3.08Å; T101-F109 HydrophobicContact CG2-CE2 4.21Å |
| 102 | I | 88.3 | Confident | 84.1 | Confident | 71 Ų | 71 | 91 Ų | 91 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.7 | -70.5 | 171.5 | 0 | 0 | 0 | 110.2 | I98 I99 N105 R106 F109 | I98-I102 HydrophobicContact CG2-CD1 3.89Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 2.81Å; I99-I102 PolarHBondContact O-N 2.87Å; I102-N105 CarbonylContact O-C 3.25Å; I102-N105 VanDerWaalsContact O-C 3.25Å; I102-N105 PolarHBondContact O-N 3.32Å; I102-R106 WeakPolarHBondContact O-CA 3.39Å; I102-R106 PolarHBondContact O-N 3.43Å; I102-F109 HydrophobicContact CB-CD2 4.32Å; I102-F109 HydrophobicContact CG1-CD1 4.28Å; I102-F109 HydrophobicContact CG1-CD2 4.17Å; I102-F109 HydrophobicContact CG1-CE1 4.41Å; I102-F109 HydrophobicContact CG1-CE2 4.29Å; I102-F109 HydrophobicContact CG1-CG 4.15Å; I102-F109 HydrophobicContact CG1-CZ 4.41Å; I102-F109 HydrophobicContact CG2-CB 4.23Å; I102-F109 HydrophobicContact CG2-CG 4.45Å |
| 103 | E | 88.3 | Confident | 85.5 | Confident | 118 Ų | 118 | 88 Ų | 88 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.8 | -42.9 | 179.7 | -174 | 161.6 | -150.4 | 0 | 0 | 112.3 | I99 K100 T101 N105 R106 | I99-E103 WeakPolarHBondContact O-CB 3.43Å; I99-E103 PolarHBondContact O-N 2.78Å; K100-E103 PolarHBondContact O-N 3.42Å; T101-E103 VanDerWaalsContact C-N 3.35Å; E103-N105 PolarHBondContact O-N 3.17Å; E103-R106 PolarHBondContact O-N 2.85Å; E103-R106 IonicContact OE1-NH2 3.28Å; E103-R106 PolarHBondContact OE1-NH2 3.42Å |
| 104 | E | 88.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 84.3 Ų | 84.3 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.6 | -32.6 | 174.4 | -76.3 | 172 | 178.3 | 0 | 0 | 112.3 | K100 | K100-E104 VanDerWaalsContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CE-OE1 3.02Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 WeakPolarHBondContact O-CB 3.18Å; K100-E104 VanDerWaalsContact O-CG 3.27Å; K100-E104 WeakPolarHBondContact O-CG 3.28Å; K100-E104 PolarHBondContact O-N 3.39Å |
| 105 | N | 85.9 | Confident | 87.9 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 36.3 | -178.7 | -62.5 | -86.3 | 0 | 0 | 0 | 112.1 | T101 I102 E103 V107 F108 F109 | T101-N105 WeakPolarHBondContact O-CB 3.28Å; T101-N105 PolarHBondContact O-N 2.81Å; T101-N105 PolarHBondContact O-ND2 3.43Å; T101-N105 VanDerWaalsContact O-ND2 3.08Å; I102-N105 CarbonylContact O-C 3.25Å; I102-N105 VanDerWaalsContact O-C 3.25Å; I102-N105 PolarHBondContact O-N 3.32Å; E103-N105 PolarHBondContact O-N 3.17Å; N105-V107 PolarHBondContact O-N 2.94Å; N105-V107 VanDerWaalsContact O-N 3.08Å; N105-F108 HydrophobicContact CB-CB 4.34Å; N105-F108 PolarHBondContact O-N 3.3Å; N105-F109 HydrophobicContact CB-CD2 3.71Å; N105-F109 HydrophobicContact CB-CE2 3.84Å; N105-F109 PolarHBondContact O-N 3.24Å |
| 106 | R | 86.1 | Confident | 88.7 | Confident | 167 Ų | 167 | 73 Ų | 73 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -51.9 | -38.4 | -172.7 | -173 | -175.8 | -67.8 | -155.6 | 0 | 113.4 | I102 E103 G110 | I102-R106 WeakPolarHBondContact O-CA 3.39Å; I102-R106 PolarHBondContact O-N 3.43Å; E103-R106 PolarHBondContact O-N 2.85Å; E103-R106 IonicContact OE1-NH2 3.28Å; E103-R106 PolarHBondContact OE1-NH2 3.42Å; R106-G110 WeakPolarHBondContact O-CA 3.42Å; R106-G110 PolarHBondContact O-N 3.12Å |
| 107 | V | 84.3 | Confident | 89.3 | Confident | 78 Ų | 78 | 76 Ų | 76 | 47% | 0.473 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V31 N105 S111 | V31-V107 HydrophobicContact CG2-CG1 3.3Å; N105-V107 PolarHBondContact O-N 2.94Å; N105-V107 VanDerWaalsContact O-N 3.08Å; V107-S111 WeakPolarHBondContact O-CB 3.45Å; V107-S111 PolarHBondContact O-N 2.98Å; V107-S111 PolarHBondContact O-OG 3.25Å |
| 108 | F | 86.5 | Confident | 89.6 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 23% | 0.232 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67 | -51.1 | 176.6 | 174.2 | -93.8 | 0 | 0 | 0 | 111 | I33 G34 N105 G110 S111 F112 | I33-F108 HydrophobicContact CB-CE2 4.49Å; I33-F108 HydrophobicContact CG2-CE2 4.19Å; G34-F108 VanDerWaalsContact CA-CE2 3.43Å; N105-F108 HydrophobicContact CB-CB 4.34Å; N105-F108 PolarHBondContact O-N 3.3Å; F108-G110 PolarHBondContact O-N 3.41Å; F108-S111 PolarHBondContact O-N 3.08Å; F108-S111 PolarHBondContact O-OG 3.19Å; F108-F112 HydrophobicContact CE1-CB 4.46Å; F108-F112 VanDerWaalsContact O-CB 3.25Å; F108-F112 WeakPolarHBondContact O-CB 3.25Å; F108-F112 PolarHBondContact O-N 3.32Å |
| 109 | F | 89.3 | Confident | 89.9 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | -178 | -78.9 | -74.5 | 0 | 0 | 0 | 113.2 | T101 I102 N105 G113 | T101-F109 HydrophobicContact CG2-CE2 4.21Å; I102-F109 HydrophobicContact CB-CD2 4.32Å; I102-F109 HydrophobicContact CG1-CD1 4.28Å; I102-F109 HydrophobicContact CG1-CD2 4.17Å; I102-F109 HydrophobicContact CG1-CE1 4.41Å; I102-F109 HydrophobicContact CG1-CE2 4.29Å; I102-F109 HydrophobicContact CG1-CG 4.15Å; I102-F109 HydrophobicContact CG1-CZ 4.41Å; I102-F109 HydrophobicContact CG2-CB 4.23Å; I102-F109 HydrophobicContact CG2-CG 4.45Å; N105-F109 HydrophobicContact CB-CD2 3.71Å; N105-F109 HydrophobicContact CB-CE2 3.84Å; N105-F109 PolarHBondContact O-N 3.24Å; F109-G113 PolarHBondContact O-N 3.28Å |
| 110 | G | 90.8 | Very high | 90 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R106 F108 G114 | R106-G110 WeakPolarHBondContact O-CA 3.42Å; R106-G110 PolarHBondContact O-N 3.12Å; F108-G110 PolarHBondContact O-N 3.41Å; G110-G114 PolarHBondContact O-N 3.09Å |
| 111 | S | 89.3 | Confident | 90 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 12% | 0.119 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.4 | -36.8 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 113 | V31 V107 F108 G114 G115 | V31-S111 WeakPolarHBondContact CA-OG 3.41Å; V31-S111 PolarHBondContact O-OG 3.07Å; V107-S111 WeakPolarHBondContact O-CB 3.45Å; V107-S111 PolarHBondContact O-N 2.98Å; V107-S111 PolarHBondContact O-OG 3.25Å; F108-S111 PolarHBondContact O-N 3.08Å; F108-S111 PolarHBondContact O-OG 3.19Å; S111-G114 PolarHBondContact O-N 2.99Å; S111-G115 PolarHBondContact O-N 3.04Å |
| 112 | F | 91.5 | Very high | 89.7 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 169.4 | 176.6 | -89.4 | 0 | 0 | 0 | 111.7 | G34 S37 G38 A41 F108 G114 G115 F116 | G34-F112 VanDerWaalsContact O-CA 3.27Å; G34-F112 WeakPolarHBondContact O-CA 3.15Å; S37-F112 WeakPolarHBondContact OG-CD2 2.93Å; G38-F112 VanDerWaalsContact CA-CE2 3.46Å; G38-F112 VanDerWaalsContact N-CD2 3.33Å; A41-F112 HydrophobicContact CB-CE2 3.99Å; A41-F112 HydrophobicContact CB-CZ 3.84Å; F108-F112 HydrophobicContact CE1-CB 4.46Å; F108-F112 VanDerWaalsContact O-CB 3.25Å; F108-F112 WeakPolarHBondContact O-CB 3.25Å; F108-F112 PolarHBondContact O-N 3.32Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 3.08Å; F112-G115 PolarHBondContact O-N 2.86Å; F112-F116 HydrophobicContact CE1-CB 4.37Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 3.27Å |
| 113 | G | 93.7 | Very high | 89.3 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F109 F116 L117 | F109-G113 PolarHBondContact O-N 3.28Å; G113-F116 PolarHBondContact O-N 3.14Å; G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 VanDerWaalsContact O-CG 3.31Å; G113-L117 WeakPolarHBondContact O-CG 3.36Å; G113-L117 PolarHBondContact O-N 3.38Å |
| 114 | G | 93.2 | Very high | 89.4 | Confident | 33 Ų | 33 | 69 Ų | 69 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G110 S111 F112 F116 L117 I118 | G110-G114 PolarHBondContact O-N 3.09Å; S111-G114 PolarHBondContact O-N 2.99Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 3.08Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.08Å; G114-L117 PolarHBondContact O-N 3.44Å; G114-I118 VanDerWaalsContact O-CG1 3.26Å; G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 2.95Å |
| 115 | G | 92.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 S111 F112 I118 A119 | L39-G115 WeakPolarHBondContact CD2-O 3.24Å; S111-G115 PolarHBondContact O-N 3.04Å; F112-G115 PolarHBondContact O-N 2.86Å; G115-I118 PolarHBondContact O-N 3.34Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å |
| 116 | F | 94.6 | Very high | 89.6 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 21% | 0.211 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | 177.1 | 177 | -98.5 | 0 | 0 | 0 | 112.3 | G38 A41 F45 F112 G113 G114 A119 I120 | G38-F116 WeakPolarHBondContact O-CA 3.45Å; G38-F116 PolarHBondContact O-N 3.05Å; A41-F116 HydrophobicContact CB-CD2 4.33Å; F45-F116 HydrophobicContact CB-CE2 3.77Å; F45-F116 HydrophobicContact CB-CZ 4.17Å; F45-F116 HydrophobicContact CD1-CE2 4.21Å; F45-F116 AromaticContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CZ 4.19Å; F45-F116 AromaticContact CG-CE2 3.94Å; F45-F116 HydrophobicContact CG-CE2 3.94Å; F45-F116 AromaticContact CG-CZ 3.82Å; F45-F116 HydrophobicContact CG-CZ 3.82Å; F112-F116 HydrophobicContact CE1-CB 4.37Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 3.27Å; G113-F116 PolarHBondContact O-N 3.14Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.08Å; F116-A119 PolarHBondContact O-N 3.39Å; F116-I120 HydrophobicContact CD1-CD1 3.72Å; F116-I120 HydrophobicContact CD2-CD1 4.5Å; F116-I120 HydrophobicContact CE1-CD1 3.18Å; F116-I120 HydrophobicContact CE1-CG1 4.38Å; F116-I120 HydrophobicContact CE2-CD1 4.04Å; F116-I120 HydrophobicContact CG-CD1 4.36Å; F116-I120 HydrophobicContact CZ-CD1 3.38Å; F116-I120 HydrophobicContact CZ-CG1 4.41Å; F116-I120 WeakPolarHBondContact O-CG1 3.48Å; F116-I120 PolarHBondContact O-N 3.02Å |
| 117 | L | 95 | Very high | 89.8 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 60% | 0.602 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 178 | -70.6 | 174.5 | 0 | 0 | 0 | 112.1 | G113 G114 A119 I120 S121 | G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 VanDerWaalsContact O-CG 3.31Å; G113-L117 WeakPolarHBondContact O-CG 3.36Å; G113-L117 PolarHBondContact O-N 3.38Å; G114-L117 PolarHBondContact O-N 3.44Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.91Å; L117-I120 PolarHBondContact O-N 3.11Å; L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 3.35Å |
| 118 | I | 93.5 | Very high | 90.2 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.1 | -69.8 | 167.9 | 0 | 0 | 0 | 110 | L39 G114 G115 I120 S121 F122 | L39-I118 HydrophobicContact CD2-CB 4.24Å; L39-I118 HydrophobicContact CD2-CG2 3.95Å; G114-I118 VanDerWaalsContact O-CG1 3.26Å; G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 2.95Å; G115-I118 PolarHBondContact O-N 3.34Å; I118-I120 PolarHBondContact O-N 3.33Å; I118-S121 WeakPolarHBondContact O-CB 3.37Å; I118-S121 PolarHBondContact O-N 3.46Å; I118-S121 VanDerWaalsContact O-N 3.14Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 4.11Å; I118-F122 WeakPolarHBondContact O-CD2 3.41Å; I118-F122 PolarHBondContact O-N 2.95Å; I118-F122 VanDerWaalsContact O-N 3.11Å |
| 119 | A | 90.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 G115 F116 L117 S121 F122 A123 | L39-A119 HydrophobicContact CB-CB 4.42Å; L39-A119 HydrophobicContact CD2-CB 3.88Å; L39-A119 WeakPolarHBondContact O-CB 3.4Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å; F116-A119 PolarHBondContact O-N 3.39Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.91Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 2.92Å; A119-F122 PolarHBondContact O-N 3.28Å; A119-A123 VanDerWaalsContact O-CB 3.22Å; A119-A123 WeakPolarHBondContact O-CB 3.22Å; A119-A123 PolarHBondContact O-N 3.28Å |
| 120 | I | 90.2 | Very high | 90.5 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.2 | -73.2 | 176 | 0 | 0 | 0 | 111.7 | F45 A46 R50 F116 L117 I118 F122 | F45-I120 HydrophobicContact CD1-CD1 3.64Å; F45-I120 HydrophobicContact CD1-CG1 4.21Å; F45-I120 HydrophobicContact CE1-CD1 4.04Å; A46-I120 HydrophobicContact CB-CG1 4.34Å; R50-I120 PolarHBondContact NH2-O 3.49Å; F116-I120 HydrophobicContact CD1-CD1 3.72Å; F116-I120 HydrophobicContact CD2-CD1 4.5Å; F116-I120 HydrophobicContact CE1-CD1 3.18Å; F116-I120 HydrophobicContact CE1-CG1 4.38Å; F116-I120 HydrophobicContact CE2-CD1 4.04Å; F116-I120 HydrophobicContact CG-CD1 4.36Å; F116-I120 HydrophobicContact CZ-CD1 3.38Å; F116-I120 HydrophobicContact CZ-CG1 4.41Å; F116-I120 WeakPolarHBondContact O-CG1 3.48Å; F116-I120 PolarHBondContact O-N 3.02Å; L117-I120 PolarHBondContact O-N 3.11Å; I118-I120 PolarHBondContact O-N 3.33Å; I120-F122 VanDerWaalsContact C-N 3.32Å |
| 121 | S | 89.9 | Confident | 90.5 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.6 | -31.4 | 179.3 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | L117 I118 A119 | L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 3.35Å; I118-S121 WeakPolarHBondContact O-CB 3.37Å; I118-S121 PolarHBondContact O-N 3.46Å; I118-S121 VanDerWaalsContact O-N 3.14Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 2.92Å |
| 122 | F | 82.5 | Confident | 90.6 | Very high | 182 Ų | 182 | 63.1 Ų | 63.1 | 80% | 0.798 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -97.4 | -23.8 | -178.3 | -83.5 | -76.7 | 0 | 0 | 0 | 114.8 | I118 A119 I120 | I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 4.11Å; I118-F122 WeakPolarHBondContact O-CD2 3.41Å; I118-F122 PolarHBondContact O-N 2.95Å; I118-F122 VanDerWaalsContact O-N 3.11Å; A119-F122 PolarHBondContact O-N 3.28Å; I120-F122 VanDerWaalsContact C-N 3.32Å |
| 123 | A | 80 | Confident | 90.5 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | trans | -63.7 | 0 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y43 A46 R50 A119 | Y43-A123 HydrophobicContact CD2-CB 4.21Å; A46-A123 HydrophobicContact CB-CB 3.17Å; R50-A123 PolarHBondContact NH1-O 2.85Å; R50-A123 PolarHBondContact NH1-OXT 3.38Å; R50-A123 PolarHBondContact NH2-OXT 2.95Å; A119-A123 VanDerWaalsContact O-CB 3.22Å; A119-A123 WeakPolarHBondContact O-CB 3.22Å; A119-A123 PolarHBondContact O-N 3.28Å |
Retrieved 123 of 123 residues in 75.5 ms
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