| 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 | 49.5 | Very low | 60 | Low | 219 Ų | 219 | 114.3 Ų | 114.3 | 100% | 1.079 | 60% | 0.596 | S | S | * | * | 0 | -30.5 | 0 | -78.7 | 171.2 | 152.6 | 0 | 0 | 114 | M3 A4 | M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.07Å; M1-A4 PolarHBondContact O-N 3.46Å | |||
| 2 | Q | 49.6 | Very low | 60.9 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.8 | -25.1 | -178 | -137.1 | 165.2 | -10.9 | 0 | 0 | 115.8 | T5 T6 | Q2-T5 PolarHBondContact O-OG1 3.23Å; Q2-T5 VanDerWaalsContact O-OG1 3.12Å; Q2-T6 WeakPolarHBondContact O-CG2 3.48Å; Q2-T6 PolarHBondContact O-N 2.96Å; Q2-T6 PolarHBondContact O-OG1 3.3Å |
| 3 | M | 53.3 | Low | 61.7 | Low | 135 Ų | 135 | 113.2 Ų | 113.2 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76 | -24.6 | 175.9 | -65.3 | -75 | -103.1 | 0 | 0 | 112.9 | M1 T6 T7 | M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.07Å; M3-T6 WeakPolarHBondContact CA-OG1 3.27Å; M3-T6 PolarHBondContact O-OG1 2.97Å; M3-T6 VanDerWaalsContact O-OG1 3.12Å; M3-T7 VanDerWaalsContact O-CG2 3.3Å; M3-T7 WeakPolarHBondContact O-CG2 3.32Å; M3-T7 PolarHBondContact O-N 3.24Å; M3-T7 PolarHBondContact O-OG1 3.19Å |
| 4 | A | 57 | Low | 62.4 | Low | 58 Ų | 58 | 107.4 Ų | 107.4 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.4 | -32.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | M1 T7 M8 | M1-A4 PolarHBondContact O-N 3.46Å; A4-T7 PolarHBondContact O-OG1 2.79Å; A4-M8 WeakPolarHBondContact O-CB 3.42Å; A4-M8 WeakPolarHBondContact O-CG 3.42Å; A4-M8 PolarHBondContact O-N 3.35Å; A4-M8 VanDerWaalsContact O-N 3.1Å |
| 5 | T | 60.2 | Low | 62.5 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72 | -38.3 | 175.5 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | Q2 M8 I9 | Q2-T5 PolarHBondContact O-OG1 3.23Å; Q2-T5 VanDerWaalsContact O-OG1 3.12Å; T5-M8 PolarHBondContact O-N 3.25Å; T5-I9 WeakPolarHBondContact O-CB 3.13Å; T5-I9 WeakPolarHBondContact O-CD1 3.45Å; T5-I9 WeakPolarHBondContact O-CG1 3.44Å; T5-I9 PolarHBondContact O-N 3.48Å |
| 6 | T | 59.7 | Low | 62.9 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -44.6 | 175.9 | 43 | 0 | 0 | 0 | 0 | 111.7 | Q2 M3 M8 I9 F10 | Q2-T6 WeakPolarHBondContact O-CG2 3.48Å; Q2-T6 PolarHBondContact O-N 2.96Å; Q2-T6 PolarHBondContact O-OG1 3.3Å; M3-T6 WeakPolarHBondContact CA-OG1 3.27Å; M3-T6 PolarHBondContact O-OG1 2.97Å; M3-T6 VanDerWaalsContact O-OG1 3.12Å; T6-M8 PolarHBondContact O-N 2.9Å; T6-I9 PolarHBondContact O-N 3.41Å; T6-F10 WeakPolarHBondContact O-CD2 3.18Å; T6-F10 PolarHBondContact O-N 3.39Å |
| 7 | T | 60.6 | Low | 63.4 | Low | 79 Ų | 79 | 102.9 Ų | 102.9 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -38.8 | 175.9 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | M3 A4 F10 M11 | M3-T7 VanDerWaalsContact O-CG2 3.3Å; M3-T7 WeakPolarHBondContact O-CG2 3.32Å; M3-T7 PolarHBondContact O-N 3.24Å; M3-T7 PolarHBondContact O-OG1 3.19Å; A4-T7 PolarHBondContact O-OG1 2.79Å; T7-F10 PolarHBondContact O-N 3.43Å; T7-M11 WeakPolarHBondContact O-CG 3.16Å; T7-M11 PolarHBondContact O-N 3.08Å |
| 8 | M | 67 | Low | 63.5 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.4 | -44.4 | 172.4 | -83 | -173.7 | 66.9 | 0 | 0 | 112.3 | A4 T5 T6 F10 M11 I12 | A4-M8 WeakPolarHBondContact O-CB 3.42Å; A4-M8 WeakPolarHBondContact O-CG 3.42Å; A4-M8 PolarHBondContact O-N 3.35Å; A4-M8 VanDerWaalsContact O-N 3.1Å; T5-M8 PolarHBondContact O-N 3.25Å; T6-M8 PolarHBondContact O-N 2.9Å; M8-F10 VanDerWaalsContact C-N 3.33Å; M8-F10 PolarHBondContact O-N 3.12Å; M8-M11 PolarHBondContact O-N 3.41Å; M8-I12 WeakPolarHBondContact O-CB 3.38Å; M8-I12 WeakPolarHBondContact O-CD1 3.36Å; M8-I12 WeakPolarHBondContact O-CG1 3.42Å; M8-I12 PolarHBondContact O-N 2.76Å |
| 9 | I | 70.3 | Confident | 63.7 | Low | 93 Ų | 93 | 103.5 Ų | 103.5 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -42.3 | 177.8 | -69.8 | 162.5 | 0 | 0 | 0 | 110.5 | T5 T6 I12 L13 | T5-I9 WeakPolarHBondContact O-CB 3.13Å; T5-I9 WeakPolarHBondContact O-CD1 3.45Å; T5-I9 WeakPolarHBondContact O-CG1 3.44Å; T5-I9 PolarHBondContact O-N 3.48Å; T6-I9 PolarHBondContact O-N 3.41Å; I9-I12 PolarHBondContact O-N 3.21Å; I9-L13 HydrophobicContact CG2-CD1 3.69Å; I9-L13 HydrophobicContact CG2-CG 4.29Å; I9-L13 WeakPolarHBondContact O-CB 3.23Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.48Å |
| 10 | F | 64.8 | Low | 63.8 | Low | 125 Ų | 125 | 100.5 Ų | 100.5 | 55% | 0.548 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 176.1 | -84.9 | -69 | 0 | 0 | 0 | 113 | T6 T7 M8 G14 | T6-F10 WeakPolarHBondContact O-CD2 3.18Å; T6-F10 PolarHBondContact O-N 3.39Å; T7-F10 PolarHBondContact O-N 3.43Å; M8-F10 VanDerWaalsContact C-N 3.33Å; M8-F10 PolarHBondContact O-N 3.12Å; F10-G14 PolarHBondContact O-N 2.78Å |
| 11 | M | 67.8 | Low | 63.7 | Low | 134 Ų | 134 | 99.4 Ų | 99.4 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -39.1 | 175.3 | -72.6 | -158.4 | -64 | 0 | 0 | 112 | T7 M8 A15 | T7-M11 WeakPolarHBondContact O-CG 3.16Å; T7-M11 PolarHBondContact O-N 3.08Å; M8-M11 PolarHBondContact O-N 3.41Å; M11-A15 WeakPolarHBondContact O-CB 3.27Å; M11-A15 PolarHBondContact O-N 3.41Å |
| 12 | I | 71.3 | Confident | 64.1 | Low | 107 Ų | 107 | 91.1 Ų | 91.1 | 55% | 0.549 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 177.1 | -66.7 | 164.2 | 0 | 0 | 0 | 110.8 | M8 I9 A15 S16 | M8-I12 WeakPolarHBondContact O-CB 3.38Å; M8-I12 WeakPolarHBondContact O-CD1 3.36Å; M8-I12 WeakPolarHBondContact O-CG1 3.42Å; M8-I12 PolarHBondContact O-N 2.76Å; I9-I12 PolarHBondContact O-N 3.21Å; I12-A15 PolarHBondContact O-N 2.91Å; I12-S16 WeakPolarHBondContact O-CB 3.08Å; I12-S16 PolarHBondContact O-N 3.38Å |
| 13 | L | 71.3 | Confident | 64.4 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 176.4 | -75.1 | 170.7 | 0 | 0 | 0 | 111.6 | I9 S16 L17 | I9-L13 HydrophobicContact CG2-CD1 3.69Å; I9-L13 HydrophobicContact CG2-CG 4.29Å; I9-L13 WeakPolarHBondContact O-CB 3.23Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.48Å; L13-S16 PolarHBondContact O-N 2.9Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.17Å; L13-L17 PolarHBondContact O-N 3.28Å |
| 14 | G | 70.8 | Confident | 64.7 | Low | 33 Ų | 33 | 85.7 Ų | 85.7 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F10 L17 V18 | F10-G14 PolarHBondContact O-N 2.78Å; G14-L17 PolarHBondContact O-N 3.02Å; G14-V18 WeakPolarHBondContact O-CB 3.42Å; G14-V18 VanDerWaalsContact O-CG2 3.29Å; G14-V18 WeakPolarHBondContact O-CG2 3.37Å; G14-V18 PolarHBondContact O-N 3.38Å |
| 15 | A | 65.1 | Low | 64.8 | Low | 59 Ų | 59 | 86 Ų | 86 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M11 I12 L17 V18 M19 | M11-A15 WeakPolarHBondContact O-CB 3.27Å; M11-A15 PolarHBondContact O-N 3.41Å; I12-A15 PolarHBondContact O-N 2.91Å; A15-L17 VanDerWaalsContact C-N 3.35Å; A15-L17 PolarHBondContact O-N 2.78Å; A15-V18 PolarHBondContact O-N 3.35Å; A15-M19 VanDerWaalsContact O-CB 3.31Å; A15-M19 WeakPolarHBondContact O-CB 3.16Å; A15-M19 VanDerWaalsContact O-CG 3.27Å; A15-M19 WeakPolarHBondContact O-CG 3.22Å; A15-M19 PolarHBondContact O-N 3.23Å |
| 16 | S | 68.7 | Low | 64.6 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | I12 L13 A20 | I12-S16 WeakPolarHBondContact O-CB 3.08Å; I12-S16 PolarHBondContact O-N 3.38Å; L13-S16 PolarHBondContact O-N 2.9Å; S16-A20 WeakPolarHBondContact O-CB 3.28Å; S16-A20 PolarHBondContact O-N 2.86Å |
| 17 | L | 71 | Confident | 64.1 | Low | 113 Ų | 113 | 89.5 Ų | 89.5 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.2 | -45 | 177.1 | -175.1 | 72.7 | 0 | 0 | 0 | 111 | L13 G14 A15 M19 A20 V21 | L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.17Å; L13-L17 PolarHBondContact O-N 3.28Å; G14-L17 PolarHBondContact O-N 3.02Å; A15-L17 VanDerWaalsContact C-N 3.35Å; A15-L17 PolarHBondContact O-N 2.78Å; L17-M19 VanDerWaalsContact C-N 3.34Å; L17-A20 PolarHBondContact O-N 3Å; L17-V21 WeakPolarHBondContact O-CB 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.27Å; L17-V21 WeakPolarHBondContact O-CG2 3.32Å; L17-V21 PolarHBondContact O-N 2.79Å |
| 18 | V | 64.5 | Low | 63.8 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 58% | 0.582 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | G14 A15 V21 A22 | G14-V18 WeakPolarHBondContact O-CB 3.42Å; G14-V18 VanDerWaalsContact O-CG2 3.29Å; G14-V18 WeakPolarHBondContact O-CG2 3.37Å; G14-V18 PolarHBondContact O-N 3.38Å; A15-V18 PolarHBondContact O-N 3.35Å; V18-V21 PolarHBondContact O-N 3.49Å; V18-A22 VanDerWaalsContact O-CB 3.27Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.43Å |
| 19 | M | 67.4 | Low | 63 | Low | 121 Ų | 121 | 87.9 Ų | 87.9 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 173.6 | -75.9 | -63.6 | -61.7 | 0 | 0 | 112 | A15 L17 A22 C23 | A15-M19 VanDerWaalsContact O-CB 3.31Å; A15-M19 WeakPolarHBondContact O-CB 3.16Å; A15-M19 VanDerWaalsContact O-CG 3.27Å; A15-M19 WeakPolarHBondContact O-CG 3.22Å; A15-M19 PolarHBondContact O-N 3.23Å; L17-M19 VanDerWaalsContact C-N 3.34Å; M19-A22 PolarHBondContact O-N 2.78Å; M19-C23 WeakPolarHBondContact O-CB 3.36Å; M19-C23 PolarHBondContact O-N 3.48Å; M19-C23 PolarHBondContact O-SG 3.3Å |
| 20 | A | 65.4 | Low | 61.8 | Low | 43 Ų | 43 | 86.6 Ų | 86.6 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S16 L17 C23 L24 | S16-A20 WeakPolarHBondContact O-CB 3.28Å; S16-A20 PolarHBondContact O-N 2.86Å; L17-A20 PolarHBondContact O-N 3Å; A20-C23 PolarHBondContact O-N 3.36Å; A20-L24 VanDerWaalsContact O-CB 3.31Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 2.81Å |
| 21 | V | 62.3 | Low | 61.2 | Low | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L17 V18 C23 L24 T25 | L17-V21 WeakPolarHBondContact O-CB 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.27Å; L17-V21 WeakPolarHBondContact O-CG2 3.32Å; L17-V21 PolarHBondContact O-N 2.79Å; V18-V21 PolarHBondContact O-N 3.49Å; V21-C23 PolarHBondContact O-N 3.15Å; V21-L24 PolarHBondContact O-N 3.35Å; V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact O-CB 3.35Å; V21-T25 WeakPolarHBondContact O-CG2 3.23Å; V21-T25 PolarHBondContact O-N 3.15Å; V21-T25 PolarHBondContact O-OG1 2.89Å |
| 22 | A | 57.6 | Low | 60.5 | Low | 46 Ų | 46 | 82.9 Ų | 82.9 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V18 M19 T25 D26 | V18-A22 VanDerWaalsContact O-CB 3.27Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.43Å; M19-A22 PolarHBondContact O-N 2.78Å; A22-T25 VanDerWaalsContact CA-OG1 3.31Å; A22-T25 WeakPolarHBondContact CA-OG1 3.39Å; A22-T25 PolarHBondContact O-N 3.44Å; A22-T25 PolarHBondContact O-OG1 3.43Å; A22-D26 VanDerWaalsContact O-CB 3.25Å; A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 3.33Å |
| 23 | C | 57.3 | Low | 59.4 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | M19 A20 V21 M27 | M19-C23 WeakPolarHBondContact O-CB 3.36Å; M19-C23 PolarHBondContact O-N 3.48Å; M19-C23 PolarHBondContact O-SG 3.3Å; A20-C23 PolarHBondContact O-N 3.36Å; V21-C23 PolarHBondContact O-N 3.15Å; C23-M27 VanDerWaalsContact O-CB 3.32Å; C23-M27 WeakPolarHBondContact O-CB 3.23Å; C23-M27 WeakPolarHBondContact O-CG 3.36Å; C23-M27 PolarHBondContact O-N 2.82Å |
| 24 | L | 58.6 | Low | 58.2 | Low | 120 Ų | 120 | 86.8 Ų | 86.8 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.8 | -37.3 | 176.2 | -72.8 | 168.4 | 0 | 0 | 0 | 111.8 | A20 V21 N28 | A20-L24 VanDerWaalsContact O-CB 3.31Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 2.81Å; V21-L24 PolarHBondContact O-N 3.35Å; L24-N28 WeakPolarHBondContact O-CB 3.43Å; L24-N28 PolarHBondContact O-N 2.94Å |
| 25 | T | 59.4 | Low | 57.1 | Low | 66 Ų | 66 | 90.6 Ų | 90.6 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | 175.4 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | V21 A22 N28 A29 | V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact O-CB 3.35Å; V21-T25 WeakPolarHBondContact O-CG2 3.23Å; V21-T25 PolarHBondContact O-N 3.15Å; V21-T25 PolarHBondContact O-OG1 2.89Å; A22-T25 VanDerWaalsContact CA-OG1 3.31Å; A22-T25 WeakPolarHBondContact CA-OG1 3.39Å; A22-T25 PolarHBondContact O-N 3.44Å; A22-T25 PolarHBondContact O-OG1 3.43Å; T25-N28 PolarHBondContact O-N 3.34Å; T25-A29 WeakPolarHBondContact O-CB 3.2Å; T25-A29 PolarHBondContact O-N 3.14Å |
| 26 | D | 55.2 | Low | 56.3 | Low | 97 Ų | 97 | 93.5 Ų | 93.5 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 174.4 | -169.9 | 41 | 0 | 0 | 0 | 110.7 | A22 N28 A29 L30 | A22-D26 VanDerWaalsContact O-CB 3.25Å; A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 3.33Å; D26-N28 VanDerWaalsContact C-N 3.34Å; D26-N28 PolarHBondContact O-N 3.27Å; D26-A29 PolarHBondContact O-N 3.47Å; D26-L30 VanDerWaalsContact O-CB 3.3Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 WeakPolarHBondContact O-CG 3.07Å; D26-L30 PolarHBondContact O-N 2.87Å |
| 27 | M | 49.3 | Very low | 55.1 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 171.1 | -70.2 | -68.1 | 169.8 | 0 | 0 | 112.6 | C23 L30 L31 | C23-M27 VanDerWaalsContact O-CB 3.32Å; C23-M27 WeakPolarHBondContact O-CB 3.23Å; C23-M27 WeakPolarHBondContact O-CG 3.36Å; C23-M27 PolarHBondContact O-N 2.82Å; M27-L30 HydrophobicContact SD-CD1 4.37Å; M27-L31 VanDerWaalsContact O-CB 3.29Å; M27-L31 WeakPolarHBondContact O-CB 3.12Å; M27-L31 PolarHBondContact O-N 3.17Å |
| 28 | N | 53.9 | Low | 53.6 | Low | 115 Ų | 115 | 95.3 Ų | 95.3 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.1 | -38.9 | 174.7 | -114.7 | 19.2 | 0 | 0 | 0 | 112.1 | L24 T25 D26 L30 L31 D32 | L24-N28 WeakPolarHBondContact O-CB 3.43Å; L24-N28 PolarHBondContact O-N 2.94Å; T25-N28 PolarHBondContact O-N 3.34Å; D26-N28 VanDerWaalsContact C-N 3.34Å; D26-N28 PolarHBondContact O-N 3.27Å; N28-L30 VanDerWaalsContact C-N 3.34Å; N28-L31 PolarHBondContact O-N 3.33Å; N28-D32 VanDerWaalsContact O-CB 3.3Å; N28-D32 WeakPolarHBondContact O-CB 3.29Å; N28-D32 PolarHBondContact O-N 2.86Å |
| 29 | A | 51.6 | Low | 52.6 | Low | 43 Ų | 43 | 96.2 Ų | 96.2 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | T25 D26 R33 | T25-A29 WeakPolarHBondContact O-CB 3.2Å; T25-A29 PolarHBondContact O-N 3.14Å; D26-A29 PolarHBondContact O-N 3.47Å; A29-R33 VanDerWaalsContact O-CB 3.27Å; A29-R33 WeakPolarHBondContact O-CB 3.28Å; A29-R33 PolarHBondContact O-N 3.47Å |
| 30 | L | 45.1 | Very low | 51.5 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 170.4 | -78.1 | 168.4 | 0 | 0 | 0 | 111.7 | D26 M27 N28 D32 R33 F34 | D26-L30 VanDerWaalsContact O-CB 3.3Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 WeakPolarHBondContact O-CG 3.07Å; D26-L30 PolarHBondContact O-N 2.87Å; M27-L30 HydrophobicContact SD-CD1 4.37Å; N28-L30 VanDerWaalsContact C-N 3.34Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 2.84Å; L30-R33 CarbonylContact O-C 3.51Å; L30-R33 PolarHBondContact O-N 3.41Å; L30-F34 HydrophobicContact CB-CD2 4.27Å; L30-F34 HydrophobicContact CB-CE2 4.26Å; L30-F34 HydrophobicContact CD2-CE2 4.47Å; L30-F34 VanDerWaalsContact O-CB 3.3Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 WeakPolarHBondContact O-CG 3.14Å; L30-F34 PolarHBondContact O-N 2.9Å |
| 31 | L | 52.1 | Low | 50.4 | Low | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 176.4 | -125.4 | 97.9 | 0 | 0 | 0 | 111.4 | M27 N28 F34 H35 | M27-L31 VanDerWaalsContact O-CB 3.29Å; M27-L31 WeakPolarHBondContact O-CB 3.12Å; M27-L31 PolarHBondContact O-N 3.17Å; N28-L31 PolarHBondContact O-N 3.33Å; L31-F34 CarbonylContact O-C 3.6Å; L31-F34 PolarHBondContact O-N 2.97Å; L31-H35 WeakPolarHBondContact O-CB 3.45Å; L31-H35 PolarHBondContact O-CD2 3.08Å; L31-H35 PolarHBondContact O-N 2.99Å |
| 32 | D | 52.3 | Low | 49.2 | Very low | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 176.5 | -167.3 | 52.3 | 0 | 0 | 0 | 110.9 | N28 L30 H35 N36 | N28-D32 VanDerWaalsContact O-CB 3.3Å; N28-D32 WeakPolarHBondContact O-CB 3.29Å; N28-D32 PolarHBondContact O-N 2.86Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 2.84Å; D32-H35 PolarHBondContact O-N 3.34Å; D32-N36 WeakPolarHBondContact O-CB 3.35Å; D32-N36 PolarHBondContact O-N 3.38Å |
| 33 | R | 49.4 | Very low | 48.5 | Very low | 190 Ų | 190 | 110.4 Ų | 110.4 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.2 | -33.1 | 171.3 | -144.5 | 167.4 | -165.8 | 160.7 | 3.4 | 112 | A29 L30 Y37 | A29-R33 VanDerWaalsContact O-CB 3.27Å; A29-R33 WeakPolarHBondContact O-CB 3.28Å; A29-R33 PolarHBondContact O-N 3.47Å; L30-R33 CarbonylContact O-C 3.51Å; L30-R33 PolarHBondContact O-N 3.41Å; R33-Y37 WeakPolarHBondContact O-CA 3.3Å; R33-Y37 WeakPolarHBondContact O-CB 3.42Å; R33-Y37 PolarHBondContact O-N 3.32Å |
| 34 | F | 44.8 | Very low | 47.4 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.2 | -37.2 | 170.6 | -77.1 | -57.1 | 0 | 0 | 0 | 110.8 | L30 L31 N36 Y37 I38 | L30-F34 HydrophobicContact CB-CD2 4.27Å; L30-F34 HydrophobicContact CB-CE2 4.26Å; L30-F34 HydrophobicContact CD2-CE2 4.47Å; L30-F34 VanDerWaalsContact O-CB 3.3Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 WeakPolarHBondContact O-CG 3.14Å; L30-F34 PolarHBondContact O-N 2.9Å; L31-F34 CarbonylContact O-C 3.6Å; L31-F34 PolarHBondContact O-N 2.97Å; F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.17Å; F34-Y37 PolarHBondContact O-N 3.47Å; F34-I38 HydrophobicContact CB-CD1 4.33Å; F34-I38 HydrophobicContact CD1-CB 4.48Å; F34-I38 HydrophobicContact CD1-CD1 3.15Å; F34-I38 HydrophobicContact CD1-CG1 3.78Å; F34-I38 HydrophobicContact CE1-CD1 3.63Å; F34-I38 HydrophobicContact CE1-CG1 4.45Å; F34-I38 HydrophobicContact CG-CD1 4.05Å; F34-I38 VanDerWaalsContact O-CA 3.27Å; F34-I38 WeakPolarHBondContact O-CA 3.44Å; F34-I38 WeakPolarHBondContact O-CB 3.39Å; F34-I38 PolarHBondContact O-N 3.43Å |
| 35 | H | 48.8 | Very low | 46.5 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -37.1 | 173 | -88.3 | -67.7 | 0 | 0 | 0 | 111.6 | L31 D32 L39 | L31-H35 WeakPolarHBondContact O-CB 3.45Å; L31-H35 PolarHBondContact O-CD2 3.08Å; L31-H35 PolarHBondContact O-N 2.99Å; D32-H35 PolarHBondContact O-N 3.34Å; H35-L39 HydrophobicContact CB-CD1 4.17Å; H35-L39 WeakPolarHBondContact ND1-CD1 3.37Å; H35-L39 WeakPolarHBondContact O-CB 3.3Å; H35-L39 WeakPolarHBondContact O-CD1 3.3Å |
| 36 | N | 48.1 | Very low | 45.4 | Very low | 121 Ų | 121 | 117 Ų | 117 | 65% | 0.647 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.1 | -32.7 | 175.8 | -101.1 | -50 | 0 | 0 | 0 | 114.2 | D32 F34 P40 | D32-N36 WeakPolarHBondContact O-CB 3.35Å; D32-N36 PolarHBondContact O-N 3.38Å; F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.17Å; N36-P40 VanDerWaalsContact O-CD 3.28Å; N36-P40 WeakPolarHBondContact O-CD 3.49Å; N36-P40 WeakPolarHBondContact O-CG 3.45Å |
| 37 | Y | 42.3 | Very low | 44.9 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -102.3 | -30.3 | -172.4 | -152.5 | -91.4 | 0 | 0 | 0 | 113.6 | R33 F34 H41 | R33-Y37 WeakPolarHBondContact O-CA 3.3Å; R33-Y37 WeakPolarHBondContact O-CB 3.42Å; R33-Y37 PolarHBondContact O-N 3.32Å; F34-Y37 PolarHBondContact O-N 3.47Å; Y37-H41 WeakPolarHBondContact O-CB 3.36Å |
| 38 | I | 39.2 | Very low | 44.7 | Very low | 62 Ų | 62 | 124.2 Ų | 124.2 | 32% | 0.318 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -90.7 | -31.5 | 178.8 | -86.2 | 178.8 | 0 | 0 | 0 | 113.3 | F34 H41 L42 | F34-I38 HydrophobicContact CB-CD1 4.33Å; F34-I38 HydrophobicContact CD1-CB 4.48Å; F34-I38 HydrophobicContact CD1-CD1 3.15Å; F34-I38 HydrophobicContact CD1-CG1 3.78Å; F34-I38 HydrophobicContact CE1-CD1 3.63Å; F34-I38 HydrophobicContact CE1-CG1 4.45Å; F34-I38 HydrophobicContact CG-CD1 4.05Å; F34-I38 VanDerWaalsContact O-CA 3.27Å; F34-I38 WeakPolarHBondContact O-CA 3.44Å; F34-I38 WeakPolarHBondContact O-CB 3.39Å; F34-I38 PolarHBondContact O-N 3.43Å; I38-H41 PolarHBondContact O-N 2.91Å; I38-L42 HydrophobicContact CD1-CD1 4.43Å; I38-L42 HydrophobicContact CG2-CB 4.2Å; I38-L42 HydrophobicContact CG2-CD1 3.38Å; I38-L42 HydrophobicContact CG2-CG 3.75Å; I38-L42 PolarHBondContact O-N 3.45Å |
| 39 | L | 44.2 | Very low | 43.8 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.7 | -32.2 | 173.6 | -95.5 | 95 | 0 | 0 | 0 | 113.3 | H35 | H35-L39 HydrophobicContact CB-CD1 4.17Å; H35-L39 WeakPolarHBondContact ND1-CD1 3.37Å; H35-L39 WeakPolarHBondContact O-CB 3.3Å; H35-L39 WeakPolarHBondContact O-CD1 3.3Å |
| 40 | P | 44.7 | Very low | 43.2 | Very low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81 | -27.8 | 170.6 | -15.7 | 30.7 | 0 | 0 | 0 | 114.4 | N36 | N36-P40 VanDerWaalsContact O-CD 3.28Å; N36-P40 WeakPolarHBondContact O-CD 3.49Å; N36-P40 WeakPolarHBondContact O-CG 3.45Å |
| 41 | H | 42.9 | Very low | 42.6 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 63% | 0.63 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -97.8 | -18.6 | -171.2 | -100.4 | 76.3 | 0 | 0 | 0 | 115.9 | Y37 I38 | Y37-H41 WeakPolarHBondContact O-CB 3.36Å; I38-H41 PolarHBondContact O-N 2.91Å |
| 42 | L | 37.1 | Very low | 42.2 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95.8 | -0.8 | 173 | -72 | -177.3 | 0 | 0 | 0 | 113.4 | I38 G44 | I38-L42 HydrophobicContact CD1-CD1 4.43Å; I38-L42 HydrophobicContact CG2-CB 4.2Å; I38-L42 HydrophobicContact CG2-CD1 3.38Å; I38-L42 HydrophobicContact CG2-CG 3.75Å; I38-L42 PolarHBondContact O-N 3.45Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.91Å |
| 43 | R | 43 | Very low | 41.8 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86.4 | 81.1 | 161.9 | -136.3 | 178 | -168.1 | 129.6 | 0.5 | 107.3 | ||
| 44 | G | 32.6 | Very low | 41.5 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | -44.5 | 141 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L42 D46 | L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.91Å; G44-D46 PolarHBondContact O-N 2.88Å | ||
| 45 | E | 41.3 | Very low | 41.3 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -1.4 | 89.9 | 141.2 | -152 | 165.6 | 153.6 | 0 | 0 | 114 | ||
| 46 | D | 35.7 | Very low | 41 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | -174 | 86.3 | 125.4 | -87.2 | -25 | 0 | 0 | 0 | 108.7 | G44 V48 | G44-D46 PolarHBondContact O-N 2.88Å; D46-V48 PolarHBondContact O-N 3.04Å | |||
| 47 | R | 43.5 | Very low | 40.3 | Very low | 247 Ų | 247 | 142 Ų | 142 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | trans | -61.5 | 94.6 | 153.1 | -60.2 | 178.7 | -171 | -168 | 1.9 | 106.2 | ||||
| 48 | V | 46.9 | Very low | 40.5 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | 157.6 | 125 | 145.8 | 162.1 | 0 | 0 | 0 | 0 | 107.8 | D46 | D46-V48 PolarHBondContact O-N 3.04Š| ||
| 49 | C | 33.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -124.3 | 109.1 | 149.1 | -71.8 | 0 | 0 | 0 | 0 | 107.3 | C51 | C49-C51 PolarHBondContact O-N 3.45Š| ||
| 50 | H | 40.2 | Very low | 40.3 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -56.6 | 126.4 | 167.9 | -130.4 | -64.4 | 0 | 0 | 0 | 108.8 | ||||
| 51 | C | 32.6 | Very low | 40 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -79.9 | 119 | 160.7 | -71.5 | 0 | 0 | 0 | 0 | 107.9 | C49 | C49-C51 PolarHBondContact O-N 3.45Š| ||
| 52 | N | 43 | Very low | 39.9 | Very low | 147 Ų | 147 | 153.4 Ų | 153.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -138.8 | 86.5 | 158.8 | -162.4 | 16.7 | 0 | 0 | 0 | 110.8 | ||||
| 53 | C | 43.3 | Very low | 39.8 | Very low | 105 Ų | 105 | 152 Ų | 152 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | S | Bend | -169.9 | 163 | 121.8 | -95.9 | 0 | 0 | 0 | 0 | 105.9 | R55 | C53-R55 PolarHBondContact O-N 3.47Š| |
| 54 | G | 42.9 | Very low | 39.6 | Very low | 74 Ų | 74 | 152.3 Ų | 152.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | S | Bend | 38.4 | 94.9 | 95.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||
| 55 | R | 40.3 | Very low | 40.1 | Very low | 223 Ų | 223 | 156.3 Ų | 156.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 72.9 | 108.8 | 156.6 | -86.3 | -175.1 | 168.1 | 140.7 | -1.5 | 120.2 | C53 | C53-R55 PolarHBondContact O-N 3.47Š|
| 56 | H | 42.8 | Very low | 40.2 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 105.3 | 145 | -65.3 | -77.5 | 0 | 0 | 0 | 119 | ||||
| 57 | H | 34.3 | Very low | 40.3 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 168 | 143.4 | 112.5 | -91.6 | -78.9 | 0 | 0 | 0 | 112.2 | |||||
| 58 | V | 46.2 | Very low | 40.5 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -89.1 | 137.9 | -178.2 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | Y60 | V58-Y60 HydrophobicContact CG1-CE2 4.32Š| ||
| 59 | H | 32.6 | Very low | 40.1 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -147.1 | 135.6 | 161.5 | -92 | -82.3 | 0 | 0 | 0 | 112.8 | ||||
| 60 | Y | 46.8 | Very low | 40.6 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -82 | 147.1 | -171.3 | -68.9 | -100.8 | 0 | 0 | 0 | 113.6 | V58 | V58-Y60 HydrophobicContact CG1-CE2 4.32Š| ||
| 61 | V | 38 | Very low | 40.7 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -140 | 127.8 | 156.4 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 62 | I | 40.3 | Very low | 41 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 125.9 | -176.5 | -62.1 | 157.1 | 0 | 0 | 0 | 109.2 | ||||
| 63 | P | 36.3 | Very low | 41 | Very low | 107 Ų | 107 | 147 Ų | 147 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 133.2 | 172.1 | 29.2 | -30.9 | 0 | 0 | 0 | 109.9 | D65 | P63-D65 PolarHBondContact O-N 3.41Š| ||
| 64 | Y | 38.9 | Very low | 40.8 | Very low | 231 Ų | 231 | 146.2 Ų | 146.2 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -76.6 | 107.4 | 165.7 | -127.2 | -92.5 | 0 | 0 | 0 | 106.8 | G66 | Y64-G66 PolarHBondContact O-N 2.94Š| ||
| 65 | D | 42.3 | Very low | 40.7 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 105.7 | 166.7 | -99.6 | -30.1 | 0 | 0 | 0 | 107.6 | P63 | P63-D65 PolarHBondContact O-N 3.41Š| ||
| 66 | G | 44.4 | Very low | 40.7 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -98 | 96.9 | 162 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y64 | Y64-G66 PolarHBondContact O-N 2.94Š| ||
| 67 | D | 37.1 | Very low | 40.6 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -95.5 | 95.8 | 172.7 | 49.7 | -22.6 | 0 | 0 | 0 | 110.6 | S69 | D67-S69 PolarHBondContact O-N 3.2Š| ||
| 68 | Q | 48.1 | Very low | 40.7 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 110.6 | 155 | -79.3 | 170.5 | -12.5 | 0 | 0 | 109.4 | ||||
| 69 | S | 38 | Very low | 40.7 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -172.6 | 114.5 | 142.8 | 53 | 0 | 0 | 0 | 0 | 114 | D67 | D67-S69 PolarHBondContact O-N 3.2Š| ||
| 70 | L | 44.9 | Very low | 41.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 83.3 | 134.7 | -75.1 | 145.8 | 0 | 0 | 0 | 118.3 | ||||
| 71 | V | 40.8 | Very low | 41.1 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | -145.7 | 119.9 | 126.7 | -163.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 72 | D | 40.3 | Very low | 41.5 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -78.8 | 136 | -176 | -153.4 | -20.8 | 0 | 0 | 0 | 110.3 | ||||
| 73 | S | 41.7 | Very low | 42 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 78.5 | 32.6 | 152.9 | -65.4 | 0 | 0 | 0 | 0 | 122.5 | ||
| 74 | A | 41 | Very low | 42.8 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -135.6 | -5.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 75 | E | 39 | Very low | 43.6 | Very low | 150 Ų | 150 | 124 Ų | 124 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -101 | 7.5 | -166.9 | -55.5 | -160.6 | -172.7 | 0 | 0 | 115.7 | Y77 F78 | E75-Y77 PolarHBondContact O-N 2.86Å; E75-F78 PolarHBondContact O-N 3.4Å | ||
| 76 | N | 41.6 | Very low | 44.2 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 8.9 | 169.8 | -85.8 | -44.9 | 0 | 0 | 0 | 113.9 | ||
| 77 | Y | 39.8 | Very low | 45 | Very low | 208 Ų | 208 | 125 Ų | 125 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -13.7 | 174.3 | -148.3 | -99.6 | 0 | 0 | 0 | 113.9 | E75 | E75-Y77 PolarHBondContact O-N 2.86Š|
| 78 | F | 36.6 | Very low | 46.4 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 72% | 0.719 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -22.6 | -171.7 | -145.1 | -97.7 | 0 | 0 | 0 | 114.5 | E75 S80 | E75-F78 PolarHBondContact O-N 3.4Å; F78-S80 VanDerWaalsContact C-N 3.33Å |
| 79 | V | 45.4 | Very low | 47.6 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -82.2 | -11.1 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 80 | S | 41.8 | Very low | 48.9 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -84.4 | -21.1 | 170.3 | -82.8 | 0 | 0 | 0 | 0 | 113.7 | F78 S82 T84 | F78-S80 VanDerWaalsContact C-N 3.33Å; S80-S82 PolarHBondContact O-N 3.37Å; S80-T84 VanDerWaalsContact O-CB 3.26Å; S80-T84 WeakPolarHBondContact O-CB 3.41Å; S80-T84 WeakPolarHBondContact O-CG2 3.29Å; S80-T84 PolarHBondContact O-N 3.49Å; S80-T84 PolarHBondContact O-OG1 2.73Å |
| 81 | D | 46 | Very low | 50 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 47% | 0.465 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.9 | -29 | -172.5 | -162.1 | 47.8 | 0 | 0 | 0 | 112.7 | T84 K85 | D81-T84 WeakPolarHBondContact CA-OG1 3.38Å; D81-T84 PolarHBondContact O-OG1 3.34Å; D81-K85 VanDerWaalsContact O-CB 3.3Å; D81-K85 WeakPolarHBondContact O-CB 3.44Å; D81-K85 PolarHBondContact O-N 2.94Å; D81-K85 VanDerWaalsContact O-N 3.16Å |
| 82 | S | 46.8 | Very low | 51.7 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 57% | 0.573 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.2 | -38 | 177.7 | 61 | 0 | 0 | 0 | 0 | 113.5 | S80 | S80-S82 PolarHBondContact O-N 3.37Å |
| 83 | V | 51.5 | Low | 53.5 | Low | 78 Ų | 78 | 110.8 Ų | 110.8 | 47% | 0.473 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75 | -40.7 | 178.1 | 179 | 0 | 0 | 0 | 0 | 110.2 | K85 Q86 E87 | V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.32Å; V83-Q86 PolarHBondContact O-N 2.78Å; V83-E87 WeakPolarHBondContact O-CG 3.46Å; V83-E87 PolarHBondContact O-N 2.97Å; V83-E87 VanDerWaalsContact O-N 3.07Å |
| 84 | T | 52.8 | Low | 55.1 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 35% | 0.35 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -28.1 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | S80 D81 E87 L88 | S80-T84 VanDerWaalsContact O-CB 3.26Å; S80-T84 WeakPolarHBondContact O-CB 3.41Å; S80-T84 WeakPolarHBondContact O-CG2 3.29Å; S80-T84 PolarHBondContact O-N 3.49Å; S80-T84 PolarHBondContact O-OG1 2.73Å; D81-T84 WeakPolarHBondContact CA-OG1 3.38Å; D81-T84 PolarHBondContact O-OG1 3.34Å; T84-E87 PolarHBondContact O-N 3.36Å; T84-L88 WeakPolarHBondContact O-CB 3.36Å; T84-L88 PolarHBondContact O-N 2.88Å |
| 85 | K | 55.5 | Low | 56.5 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.5 | -42.1 | 175.2 | -156.5 | -176 | -153.9 | 85.8 | 0 | 112.3 | D81 V83 L88 D89 | D81-K85 VanDerWaalsContact O-CB 3.3Å; D81-K85 WeakPolarHBondContact O-CB 3.44Å; D81-K85 PolarHBondContact O-N 2.94Å; D81-K85 VanDerWaalsContact O-N 3.16Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.32Å; K85-L88 PolarHBondContact O-N 3.33Å; K85-D89 WeakPolarHBondContact O-CB 3.47Å; K85-D89 PolarHBondContact O-N 3.12Å |
| 86 | Q | 55.1 | Low | 58.3 | Low | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | 176.4 | -172.7 | 171 | 0.1 | 0 | 0 | 111.8 | V83 L90 | V83-Q86 PolarHBondContact O-N 2.78Å; Q86-L90 WeakPolarHBondContact O-CB 3.12Å; Q86-L90 PolarHBondContact O-N 3.44Å |
| 87 | E | 60.3 | Low | 60.2 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 173.9 | -70.5 | 179.7 | 174.2 | 0 | 0 | 112.1 | V83 T84 L90 M91 | V83-E87 WeakPolarHBondContact O-CG 3.46Å; V83-E87 PolarHBondContact O-N 2.97Å; V83-E87 VanDerWaalsContact O-N 3.07Å; T84-E87 PolarHBondContact O-N 3.36Å; E87-L90 WeakPolarHBondContact O-CB 3.26Å; E87-L90 PolarHBondContact O-N 3.46Å; E87-M91 WeakPolarHBondContact O-CB 3.5Å; E87-M91 VanDerWaalsContact O-CG 3.3Å; E87-M91 WeakPolarHBondContact O-CG 3.31Å; E87-M91 PolarHBondContact O-N 2.86Å |
| 88 | L | 68.2 | Low | 61.9 | Low | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.2 | -39 | 178.7 | -163.3 | 154.8 | 0 | 0 | 0 | 111.3 | T84 K85 L90 M91 L92 | T84-L88 WeakPolarHBondContact O-CB 3.36Å; T84-L88 PolarHBondContact O-N 2.88Å; K85-L88 PolarHBondContact O-N 3.33Å; L88-L90 VanDerWaalsContact C-N 3.3Å; L88-L90 PolarHBondContact O-N 3.44Å; L88-M91 PolarHBondContact O-N 2.88Å; L88-L92 WeakPolarHBondContact O-CB 3.25Å; L88-L92 PolarHBondContact O-N 3.15Å |
| 89 | D | 72.8 | Confident | 63.2 | Low | 99 Ų | 99 | 96.1 Ų | 96.1 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 172.4 | -78 | -14.9 | 0 | 0 | 0 | 111.6 | K85 G93 | K85-D89 WeakPolarHBondContact O-CB 3.47Å; K85-D89 PolarHBondContact O-N 3.12Å; D89-G93 PolarHBondContact O-N 2.93Å |
| 90 | L | 65.3 | Low | 64.6 | Low | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -48.6 | 172.9 | 179.8 | 70.1 | 0 | 0 | 0 | 111.8 | Q86 E87 L88 L92 G93 L94 | Q86-L90 WeakPolarHBondContact O-CB 3.12Å; Q86-L90 PolarHBondContact O-N 3.44Å; E87-L90 WeakPolarHBondContact O-CB 3.26Å; E87-L90 PolarHBondContact O-N 3.46Å; L88-L90 VanDerWaalsContact C-N 3.3Å; L88-L90 PolarHBondContact O-N 3.44Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.32Å; L90-G93 PolarHBondContact O-N 3.12Å; L90-L94 HydrophobicContact CD1-CD1 4.44Å; L90-L94 HydrophobicContact CG-CD1 4.23Å; L90-L94 WeakPolarHBondContact O-CG 3.27Å; L90-L94 PolarHBondContact O-N 3.22Å |
| 91 | M | 68.8 | Low | 66.4 | Low | 141 Ų | 141 | 94.9 Ų | 94.9 | 70% | 0.695 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 177.2 | -74.6 | -154 | 73.6 | 0 | 0 | 111.7 | E87 L88 L95 | E87-M91 WeakPolarHBondContact O-CB 3.5Å; E87-M91 VanDerWaalsContact O-CG 3.3Å; E87-M91 WeakPolarHBondContact O-CG 3.31Å; E87-M91 PolarHBondContact O-N 2.86Å; L88-M91 PolarHBondContact O-N 2.88Å; M91-L95 VanDerWaalsContact O-CB 3.29Å; M91-L95 WeakPolarHBondContact O-CB 3.44Å; M91-L95 PolarHBondContact O-N 3.44Å |
| 92 | L | 76.4 | Confident | 68 | Low | 95 Ų | 95 | 98.7 Ų | 98.7 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.9 | -174.8 | 65.4 | 0 | 0 | 0 | 111.1 | L88 L90 L95 L96 | L88-L92 WeakPolarHBondContact O-CB 3.25Å; L88-L92 PolarHBondContact O-N 3.15Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.32Å; L92-L95 PolarHBondContact O-N 2.92Å; L92-L96 WeakPolarHBondContact O-CB 3.18Å; L92-L96 PolarHBondContact O-N 3.45Å |
| 93 | G | 78.3 | Confident | 69 | Low | 42 Ų | 42 | 99.6 Ų | 99.6 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D89 L90 G97 | D89-G93 PolarHBondContact O-N 2.93Å; L90-G93 PolarHBondContact O-N 3.12Å; G93-G97 PolarHBondContact O-N 3.38Å |
| 94 | L | 74.1 | Confident | 70.1 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 176.7 | -74.8 | 168.6 | 0 | 0 | 0 | 112.2 | L90 G97 F98 | L90-L94 HydrophobicContact CD1-CD1 4.44Å; L90-L94 HydrophobicContact CG-CD1 4.23Å; L90-L94 WeakPolarHBondContact O-CG 3.27Å; L90-L94 PolarHBondContact O-N 3.22Å; L94-G97 PolarHBondContact O-N 2.9Å; L94-F98 WeakPolarHBondContact O-CB 3.18Å; L94-F98 PolarHBondContact O-N 3.43Å |
| 95 | L | 69.9 | Low | 71.3 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.2 | -173.8 | 72.9 | 0 | 0 | 0 | 110.9 | M91 L92 F98 L99 | M91-L95 VanDerWaalsContact O-CB 3.29Å; M91-L95 WeakPolarHBondContact O-CB 3.44Å; M91-L95 PolarHBondContact O-N 3.44Å; L92-L95 PolarHBondContact O-N 2.92Å; L95-F98 PolarHBondContact O-N 3.25Å; L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.06Å |
| 96 | L | 78 | Confident | 72.7 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178.2 | -168 | 74.6 | 0 | 0 | 0 | 111.1 | L92 F98 L99 L100 | L92-L96 WeakPolarHBondContact O-CB 3.18Å; L92-L96 PolarHBondContact O-N 3.45Å; L96-F98 PolarHBondContact O-N 3.16Å; L96-L99 PolarHBondContact O-N 3.43Å; L96-L100 HydrophobicContact CD2-CD1 4.45Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 VanDerWaalsContact O-CG 3.23Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.16Å |
| 97 | G | 81.3 | Confident | 73.5 | Confident | 32 Ų | 32 | 104.5 Ų | 104.5 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G93 L94 S101 | G93-G97 PolarHBondContact O-N 3.38Å; L94-G97 PolarHBondContact O-N 2.9Å; G97-S101 VanDerWaalsContact O-CB 3.28Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.3Å; G97-S101 PolarHBondContact O-OG 2.93Å |
| 98 | F | 75.3 | Confident | 74.3 | Confident | 137 Ų | 137 | 102.3 Ų | 102.3 | 60% | 0.601 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -46.3 | 175.3 | -177.2 | -99 | 0 | 0 | 0 | 111.9 | L94 L95 L96 S101 W102 | L94-F98 WeakPolarHBondContact O-CB 3.18Å; L94-F98 PolarHBondContact O-N 3.43Å; L95-F98 PolarHBondContact O-N 3.25Å; L96-F98 PolarHBondContact O-N 3.16Å; F98-S101 PolarHBondContact O-N 2.67Å; F98-W102 WeakPolarHBondContact O-CB 3.5Å; F98-W102 PolarHBondContact O-N 2.91Å |
| 99 | L | 64.1 | Low | 74.7 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.4 | -73.7 | 170.3 | 0 | 0 | 0 | 112.1 | L95 L96 W102 L103 | L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.06Å; L96-L99 PolarHBondContact O-N 3.43Å; L99-W102 PolarHBondContact O-N 2.81Å; L99-L103 VanDerWaalsContact O-CB 3.28Å; L99-L103 WeakPolarHBondContact O-CB 3.27Å; L99-L103 PolarHBondContact O-N 3.39Å |
| 100 | L | 75.3 | Confident | 74.9 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.5 | -73.6 | 169.3 | 0 | 0 | 0 | 111.3 | L96 L103 L104 | L96-L100 HydrophobicContact CD2-CD1 4.45Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 VanDerWaalsContact O-CG 3.23Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.16Å; L100-L103 PolarHBondContact O-N 3.41Å; L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CD1 3.35Å; L100-L104 WeakPolarHBondContact O-CG 3.2Å; L100-L104 PolarHBondContact O-N 2.87Å |
| 101 | S | 79.5 | Confident | 75.5 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | G97 F98 L104 L105 | G97-S101 VanDerWaalsContact O-CB 3.28Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.3Å; G97-S101 PolarHBondContact O-OG 2.93Å; F98-S101 PolarHBondContact O-N 2.67Å; S101-L104 PolarHBondContact O-N 3.41Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 PolarHBondContact O-N 3.45Å |
| 102 | W | 79.1 | Confident | 75.9 | Confident | 168 Ų | 168 | 93.4 Ų | 93.4 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 174.7 | -178 | -95.2 | 0 | 0 | 0 | 111.9 | F98 L99 L105 W106 | F98-W102 WeakPolarHBondContact O-CB 3.5Å; F98-W102 PolarHBondContact O-N 2.91Å; L99-W102 PolarHBondContact O-N 2.81Å; W102-L105 PolarHBondContact O-N 3.07Å; W102-W106 WeakPolarHBondContact O-CB 3.22Å; W102-W106 PolarHBondContact O-N 3.46Å |
| 103 | L | 68.4 | Low | 75.9 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.2 | -171.5 | 120.7 | 0 | 0 | 0 | 111.8 | L99 L100 W106 L107 | L99-L103 VanDerWaalsContact O-CB 3.28Å; L99-L103 WeakPolarHBondContact O-CB 3.27Å; L99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 3.41Å; L103-W106 PolarHBondContact O-N 2.78Å; L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 2.97Å |
| 104 | L | 74.7 | Confident | 75.9 | Confident | 117 Ų | 117 | 92 Ų | 92 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 175 | -83.3 | 154.4 | 0 | 0 | 0 | 111.7 | L100 S101 L107 D108 | L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CD1 3.35Å; L100-L104 WeakPolarHBondContact O-CG 3.2Å; L100-L104 PolarHBondContact O-N 2.87Å; S101-L104 PolarHBondContact O-N 3.41Å; L104-L107 PolarHBondContact O-N 3.29Å; L104-D108 PolarHBondContact O-N 2.94Å |
| 105 | L | 77.1 | Confident | 76.1 | Confident | 110 Ų | 110 | 90 Ų | 90 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 177.6 | -167.7 | 74.4 | 0 | 0 | 0 | 111.6 | S101 W102 L107 D108 G109 | S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 PolarHBondContact O-N 3.45Å; W102-L105 PolarHBondContact O-N 3.07Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L105-D108 PolarHBondContact O-N 3.46Å; L105-G109 PolarHBondContact O-N 3.46Å; L105-G109 VanDerWaalsContact O-N 3.08Å |
| 106 | W | 84.1 | Confident | 76.4 | Confident | 174 Ų | 174 | 92.6 Ų | 92.6 | 66% | 0.659 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 175.1 | -177.3 | 88.1 | 0 | 0 | 0 | 111.4 | W102 L103 G109 A110 | W102-W106 WeakPolarHBondContact O-CB 3.22Å; W102-W106 PolarHBondContact O-N 3.46Å; L103-W106 PolarHBondContact O-N 2.78Å; W106-G109 PolarHBondContact O-N 3.06Å; W106-A110 HydrophobicContact CD2-CB 4.49Å; W106-A110 HydrophobicContact CE3-CB 4.32Å; W106-A110 HydrophobicContact CH2-CB 4.29Å; W106-A110 HydrophobicContact CZ2-CB 4.45Å; W106-A110 HydrophobicContact CZ3-CB 4.21Å; W106-A110 VanDerWaalsContact O-CB 3.28Å; W106-A110 WeakPolarHBondContact O-CB 3.39Å; W106-A110 PolarHBondContact O-N 3.37Å |
| 107 | L | 71.9 | Confident | 76.2 | Confident | 90 Ų | 90 | 90.8 Ų | 90.8 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | -179.7 | -167.7 | 140.6 | 0 | 0 | 0 | 111.6 | L103 L104 L105 A110 L111 | L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 2.97Å; L104-L107 PolarHBondContact O-N 3.29Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L107-A110 PolarHBondContact O-N 2.94Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 3.4Å |
| 108 | D | 79.1 | Confident | 75.6 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 172.6 | -173.5 | 74.6 | 0 | 0 | 0 | 111.7 | L104 L105 L111 H112 | L104-D108 PolarHBondContact O-N 2.94Å; L105-D108 PolarHBondContact O-N 3.46Å; D108-L111 PolarHBondContact O-N 3.24Å; D108-H112 WeakPolarHBondContact O-CB 3.42Å; D108-H112 PolarHBondContact O-N 3.33Å; D108-H112 PolarHBondContact O-ND1 3.28Å; D108-H112 IonicContact OD1-CE1 3.55Å; D108-H112 IonicContact OD1-ND1 3.86Å; D108-H112 IonicContact OD2-CE1 3.38Å; D108-H112 PolarHBondContact OD2-CE1 3.5Å; D108-H112 IonicContact OD2-ND1 3.17Å; D108-H112 PolarHBondContact OD2-ND1 2.95Å |
| 109 | G | 76.4 | Confident | 75.2 | Confident | 41 Ų | 41 | 97.3 Ų | 97.3 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L105 W106 H112 A113 | L105-G109 PolarHBondContact O-N 3.46Å; L105-G109 VanDerWaalsContact O-N 3.08Å; W106-G109 PolarHBondContact O-N 3.06Å; G109-H112 PolarHBondContact O-N 3.42Å; G109-A113 WeakPolarHBondContact O-CB 3.35Å; G109-A113 PolarHBondContact O-N 3.1Å |
| 110 | A | 76.9 | Confident | 75.1 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W106 L107 A113 A114 | W106-A110 HydrophobicContact CD2-CB 4.49Å; W106-A110 HydrophobicContact CE3-CB 4.32Å; W106-A110 HydrophobicContact CH2-CB 4.29Å; W106-A110 HydrophobicContact CZ2-CB 4.45Å; W106-A110 HydrophobicContact CZ3-CB 4.21Å; W106-A110 VanDerWaalsContact O-CB 3.28Å; W106-A110 WeakPolarHBondContact O-CB 3.39Å; W106-A110 PolarHBondContact O-N 3.37Å; L107-A110 PolarHBondContact O-N 2.94Å; A110-A113 PolarHBondContact O-N 3Å; A110-A114 WeakPolarHBondContact O-CB 3.25Å; A110-A114 PolarHBondContact O-N 3.42Å |
| 111 | L | 77.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.9 | -168.4 | 83.1 | 0 | 0 | 0 | 110.4 | L107 D108 A114 L115 | L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 3.4Å; D108-L111 PolarHBondContact O-N 3.24Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-L115 HydrophobicContact CD2-CD1 4.29Å; L111-L115 HydrophobicContact CG-CD1 4.04Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 2.95Å |
| 112 | H | 76.9 | Confident | 72.9 | Confident | 89 Ų | 89 | 98.9 Ų | 98.9 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 175.9 | -79.6 | 149.1 | 0 | 0 | 0 | 113 | D108 G109 R116 | D108-H112 WeakPolarHBondContact O-CB 3.42Å; D108-H112 PolarHBondContact O-N 3.33Å; D108-H112 PolarHBondContact O-ND1 3.28Å; D108-H112 IonicContact OD1-CE1 3.55Å; D108-H112 IonicContact OD1-ND1 3.86Å; D108-H112 IonicContact OD2-CE1 3.38Å; D108-H112 PolarHBondContact OD2-CE1 3.5Å; D108-H112 IonicContact OD2-ND1 3.17Å; D108-H112 PolarHBondContact OD2-ND1 2.95Å; G109-H112 PolarHBondContact O-N 3.42Å; H112-R116 WeakPolarHBondContact O-CB 3.11Å; H112-R116 WeakPolarHBondContact O-CG 3.32Å; H112-R116 PolarHBondContact O-N 3.1Å |
| 113 | A | 76.8 | Confident | 71.6 | Confident | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G109 A110 R116 A117 | G109-A113 WeakPolarHBondContact O-CB 3.35Å; G109-A113 PolarHBondContact O-N 3.1Å; A110-A113 PolarHBondContact O-N 3Å; A113-R116 PolarHBondContact O-N 2.94Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.83Å |
| 114 | A | 77.4 | Confident | 70.7 | Confident | 59 Ų | 59 | 102.3 Ų | 102.3 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A110 L111 A117 W118 | A110-A114 WeakPolarHBondContact O-CB 3.25Å; A110-A114 PolarHBondContact O-N 3.42Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-A117 PolarHBondContact O-N 3.32Å; A114-W118 WeakPolarHBondContact O-CB 3.29Å; A114-W118 PolarHBondContact O-N 3.22Å |
| 115 | L | 78.6 | Confident | 69.4 | Low | 68 Ų | 68 | 100 Ų | 100 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.8 | -76.9 | 170.5 | 0 | 0 | 0 | 111.9 | L111 W118 R119 | L111-L115 HydrophobicContact CD2-CD1 4.29Å; L111-L115 HydrophobicContact CG-CD1 4.04Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 2.95Å; L115-W118 HydrophobicContact CD2-CE3 4.06Å; L115-W118 HydrophobicContact CD2-CZ3 4.41Å; L115-R119 WeakPolarHBondContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 3.13Å |
| 116 | R | 77 | Confident | 68.2 | Low | 156 Ų | 156 | 100 Ų | 100 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -45 | 174.1 | -78.4 | -165.4 | -125.6 | 123.3 | 0.9 | 111.8 | H112 A113 W118 R119 A120 | H112-R116 WeakPolarHBondContact O-CB 3.11Å; H112-R116 WeakPolarHBondContact O-CG 3.32Å; H112-R116 PolarHBondContact O-N 3.1Å; A113-R116 PolarHBondContact O-N 2.94Å; R116-W118 VanDerWaalsContact C-N 3.31Å; R116-W118 PolarHBondContact O-N 3.45Å; R116-R119 PolarHBondContact O-N 2.85Å; R116-A120 WeakPolarHBondContact O-CB 2.94Å; R116-A120 PolarHBondContact O-N 2.81Å |
| 117 | A | 72.3 | Confident | 66.4 | Low | 62 Ų | 62 | 102 Ų | 102 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A113 A114 A120 K121 | A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.83Å; A114-A117 PolarHBondContact O-N 3.32Å; A117-A120 PolarHBondContact O-N 2.8Å; A117-K121 VanDerWaalsContact O-CB 3.32Å; A117-K121 WeakPolarHBondContact O-CB 3.43Å; A117-K121 PolarHBondContact O-N 3.45Å |
| 118 | W | 70.3 | Confident | 65.4 | Low | 132 Ų | 132 | 102.1 Ų | 102.1 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.1 | -179.2 | 56.6 | 0 | 0 | 0 | 111.9 | A114 L115 R116 A120 K121 Q122 | A114-W118 WeakPolarHBondContact O-CB 3.29Å; A114-W118 PolarHBondContact O-N 3.22Å; L115-W118 HydrophobicContact CD2-CE3 4.06Å; L115-W118 HydrophobicContact CD2-CZ3 4.41Å; R116-W118 VanDerWaalsContact C-N 3.31Å; R116-W118 PolarHBondContact O-N 3.45Å; W118-A120 PolarHBondContact O-N 3.36Å; W118-K121 CarbonylContact O-C 3.53Å; W118-K121 PolarHBondContact O-N 3.25Å; W118-Q122 VanDerWaalsContact O-CB 3.27Å; W118-Q122 WeakPolarHBondContact O-CB 3.27Å; W118-Q122 PolarHBondContact O-N 3.49Å |
| 119 | R | 66.8 | Low | 64.1 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 173.6 | -79.3 | -165 | -166.4 | 150.9 | 3.8 | 112.9 | L115 R116 K121 Q122 H123 | L115-R119 WeakPolarHBondContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 3.13Å; R116-R119 PolarHBondContact O-N 2.85Å; R119-K121 VanDerWaalsContact C-N 3.31Å; R119-Q122 PolarHBondContact O-N 3.32Å; R119-H123 PolarHBondContact O-N 2.86Å |
| 120 | A | 60.8 | Low | 62.9 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 59% | 0.587 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R116 A117 W118 | R116-A120 WeakPolarHBondContact O-CB 2.94Å; R116-A120 PolarHBondContact O-N 2.81Å; A117-A120 PolarHBondContact O-N 2.8Å; W118-A120 PolarHBondContact O-N 3.36Å |
| 121 | K | 57.3 | Low | 61.9 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70 | -35.3 | 174.1 | -160.6 | -178.6 | -178.7 | -171.4 | 0 | 112.5 | A117 W118 R119 H123 H124 D125 | A117-K121 VanDerWaalsContact O-CB 3.32Å; A117-K121 WeakPolarHBondContact O-CB 3.43Å; A117-K121 PolarHBondContact O-N 3.45Å; W118-K121 CarbonylContact O-C 3.53Å; W118-K121 PolarHBondContact O-N 3.25Å; R119-K121 VanDerWaalsContact C-N 3.31Å; K121-H123 VanDerWaalsContact C-N 3.27Å; K121-H123 PolarHBondContact O-N 3.46Å; K121-H124 WeakPolarHBondContact O-CA 3.33Å; K121-H124 WeakPolarHBondContact O-CB 2.97Å; K121-H124 PolarHBondContact O-N 2.92Å; K121-D125 PolarHBondContact O-N 2.86Å |
| 122 | Q | 51.3 | Low | 60.9 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -27.4 | 178.1 | -161.5 | 174.2 | 6 | 0 | 0 | 112.7 | W118 R119 H124 V126 | W118-Q122 VanDerWaalsContact O-CB 3.27Å; W118-Q122 WeakPolarHBondContact O-CB 3.27Å; W118-Q122 PolarHBondContact O-N 3.49Å; R119-Q122 PolarHBondContact O-N 3.32Å; Q122-H124 VanDerWaalsContact C-N 3.29Å; Q122-V126 WeakPolarHBondContact O-CG2 3.32Å; Q122-V126 PolarHBondContact O-N 3.47Å |
| 123 | H | 51.8 | Low | 59.9 | Low | 166 Ų | 166 | 111.7 Ų | 111.7 | 77% | 0.769 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -19.7 | 170.5 | -110.9 | 58.7 | 0 | 0 | 0 | 113.5 | R119 K121 | R119-H123 PolarHBondContact O-N 2.86Å; K121-H123 VanDerWaalsContact C-N 3.27Å; K121-H123 PolarHBondContact O-N 3.46Å |
| 124 | H | 49.7 | Very low | 58.7 | Low | 175 Ų | 175 | 118.2 Ų | 118.2 | 81% | 0.81 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -29.9 | 174.9 | -128 | 48.6 | 0 | 0 | 0 | 112.3 | K121 Q122 | K121-H124 WeakPolarHBondContact O-CA 3.33Å; K121-H124 WeakPolarHBondContact O-CB 2.97Å; K121-H124 PolarHBondContact O-N 2.92Å; Q122-H124 VanDerWaalsContact C-N 3.29Å |
| 125 | D | 48.8 | Very low | 57.6 | Low | 68 Ų | 68 | 121.3 Ų | 121.3 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -100.8 | 22.2 | -177.2 | -70 | -26.7 | 0 | 0 | 0 | 114.1 | K121 F127 S128 | K121-D125 PolarHBondContact O-N 2.86Å; D125-F127 PolarHBondContact O-N 2.85Å; D125-S128 PolarHBondContact O-N 3.37Å |
| 126 | V | 51.1 | Low | 56.6 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -20.7 | -174.1 | 175.4 | 0 | 0 | 0 | 0 | 113.8 | Q122 | Q122-V126 WeakPolarHBondContact O-CG2 3.32Å; Q122-V126 PolarHBondContact O-N 3.47Å |
| 127 | F | 46.8 | Very low | 55.5 | Low | 216 Ų | 216 | 118.1 Ų | 118.1 | 95% | 0.947 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -10.1 | -175.9 | -133.7 | -94.1 | 0 | 0 | 0 | 115.4 | D125 | D125-F127 PolarHBondContact O-N 2.85Š|
| 128 | S | 49.8 | Very low | 54.7 | Low | 94 Ų | 94 | 120.3 Ų | 120.3 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -118.5 | 8.6 | -164.2 | -172.9 | 0 | 0 | 0 | 0 | 116.9 | D125 | D125-S128 PolarHBondContact O-N 3.37Š|
| 129 | W | 51.3 | Low | 54 | Low | 139 Ų | 139 | 124 Ų | 124 | 53% | 0.527 | 60% | 0.602 | S | S | . | * | trans | -123 | 47.4 | -167.1 | -74.5 | 85.2 | 0 | 0 | 0 | 115.8 | W131 V132 | W129-W131 PolarHBondContact O-N 2.89Å; W129-V132 HydrophobicContact CD2-CG2 4.41Å; W129-V132 HydrophobicContact CE3-CB 3.9Å; W129-V132 HydrophobicContact CE3-CG2 3.15Å; W129-V132 HydrophobicContact CZ3-CB 4.4Å; W129-V132 HydrophobicContact CZ3-CG2 3.21Å | ||
| 130 | S | 51.9 | Low | 53.5 | Low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -67.1 | -9.4 | 170.9 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 131 | W | 55.5 | Low | 53.2 | Low | 150 Ų | 150 | 119.9 Ų | 119.9 | 57% | 0.568 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -96.9 | -23.3 | -175.4 | -177.7 | 62.6 | 0 | 0 | 0 | 115.5 | W129 P133 R134 F135 | W129-W131 PolarHBondContact O-N 2.89Å; W131-P133 VanDerWaalsContact C-CD 3.46Å; W131-R134 WeakPolarHBondContact O-CB 3.3Å; W131-R134 PolarHBondContact O-N 2.82Å; W131-F135 AromaticContact CE2-CE2 3.82Å; W131-F135 HydrophobicContact CH2-CD2 4.41Å; W131-F135 AromaticContact CH2-CE2 3.85Å; W131-F135 HydrophobicContact CH2-CE2 3.85Å; W131-F135 HydrophobicContact CZ2-CD2 4.06Å; W131-F135 AromaticContact CZ2-CE2 3.35Å; W131-F135 HydrophobicContact CZ2-CE2 3.35Å; W131-F135 HydrophobicContact CZ2-CZ 4.25Å |
| 132 | V | 57.4 | Low | 53.4 | Low | 42 Ų | 42 | 115.5 Ų | 115.5 | 26% | 0.255 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -31.6 | 179.1 | 155.3 | 0 | 0 | 0 | 0 | 116.3 | W129 R134 F135 C136 | W129-V132 HydrophobicContact CD2-CG2 4.41Å; W129-V132 HydrophobicContact CE3-CB 3.9Å; W129-V132 HydrophobicContact CE3-CG2 3.15Å; W129-V132 HydrophobicContact CZ3-CB 4.4Å; W129-V132 HydrophobicContact CZ3-CG2 3.21Å; V132-R134 PolarHBondContact O-N 2.86Å; V132-R134 VanDerWaalsContact O-N 3.08Å; V132-F135 PolarHBondContact O-N 2.94Å; V132-F135 VanDerWaalsContact O-N 3.12Å; V132-C136 PolarHBondContact O-N 2.84Å |
| 133 | P | 55.1 | Low | 53.6 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -14.5 | 176.1 | 24.7 | -31.5 | 0 | 0 | 0 | 113.3 | W131 N137 | W131-P133 VanDerWaalsContact C-CD 3.46Å; P133-N137 PolarHBondContact O-N 3.48Å; P133-N137 PolarHBondContact O-ND2 3.48Å; P133-N137 VanDerWaalsContact O-ND2 3.15Å |
| 134 | R | 51.9 | Low | 53.7 | Low | 188 Ų | 188 | 121 Ų | 121 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.6 | -33 | 172.9 | -96.1 | 177.1 | 173.6 | 169.7 | -0.8 | 113.2 | W131 V132 | W131-R134 WeakPolarHBondContact O-CB 3.3Å; W131-R134 PolarHBondContact O-N 2.82Å; V132-R134 PolarHBondContact O-N 2.86Å; V132-R134 VanDerWaalsContact O-N 3.08Å |
| 135 | F | 53.8 | Low | 54.1 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -84.2 | -32.6 | 179.1 | -90.9 | -88.6 | 0 | 0 | 0 | 113.1 | W131 V132 N137 L138 | W131-F135 AromaticContact CE2-CE2 3.82Å; W131-F135 HydrophobicContact CH2-CD2 4.41Å; W131-F135 AromaticContact CH2-CE2 3.85Å; W131-F135 HydrophobicContact CH2-CE2 3.85Å; W131-F135 HydrophobicContact CZ2-CD2 4.06Å; W131-F135 AromaticContact CZ2-CE2 3.35Å; W131-F135 HydrophobicContact CZ2-CE2 3.35Å; W131-F135 HydrophobicContact CZ2-CZ 4.25Å; V132-F135 PolarHBondContact O-N 2.94Å; V132-F135 VanDerWaalsContact O-N 3.12Å; F135-N137 VanDerWaalsContact C-N 3.29Å; F135-N137 PolarHBondContact O-N 3.02Å; F135-L138 PolarHBondContact O-N 2.87Å |
| 136 | C | 57.9 | Low | 54.3 | Low | 71 Ų | 71 | 121 Ų | 121 | 48% | 0.48 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -33.3 | 173.6 | -67 | 0 | 0 | 0 | 0 | 112.3 | V132 L138 R139 D140 | V132-C136 PolarHBondContact O-N 2.84Å; C136-L138 VanDerWaalsContact C-N 3.29Å; C136-L138 PolarHBondContact O-N 2.87Å; C136-R139 PolarHBondContact O-N 2.89Å; C136-D140 PolarHBondContact O-N 3.39Å; C136-D140 VanDerWaalsContact O-N 3.15Å |
| 137 | N | 54.8 | Low | 54.3 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62 | -32 | 174.2 | -98.2 | -60.8 | 0 | 0 | 0 | 113.4 | P133 F135 D140 L141 | P133-N137 PolarHBondContact O-N 3.48Å; P133-N137 PolarHBondContact O-ND2 3.48Å; P133-N137 VanDerWaalsContact O-ND2 3.15Å; F135-N137 VanDerWaalsContact C-N 3.29Å; F135-N137 PolarHBondContact O-N 3.02Å; N137-D140 PolarHBondContact O-N 3.32Å; N137-L141 VanDerWaalsContact O-CB 3.23Å; N137-L141 WeakPolarHBondContact O-CB 3.34Å; N137-L141 WeakPolarHBondContact O-CD1 3.37Å; N137-L141 VanDerWaalsContact O-CG 3.27Å; N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.27Å |
| 138 | L | 54.9 | Low | 54.6 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 57% | 0.571 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | 178.7 | -89 | 156.1 | 0 | 0 | 0 | 112.5 | F135 C136 L141 G142 | F135-L138 PolarHBondContact O-N 2.87Å; C136-L138 VanDerWaalsContact C-N 3.29Å; C136-L138 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 3.38Å; L138-G142 PolarHBondContact O-N 2.82Å |
| 139 | R | 54.7 | Low | 54.4 | Low | 208 Ų | 208 | 123 Ų | 123 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.1 | -37.4 | 175.8 | -163.7 | 173.9 | 75 | 167.4 | 2.5 | 111.6 | C136 G142 R143 | C136-R139 PolarHBondContact O-N 2.89Å; R139-G142 PolarHBondContact O-N 3.19Å; R139-R143 PolarHBondContact O-N 2.8Å |
| 140 | D | 56.3 | Low | 54.2 | Low | 70 Ų | 70 | 122.7 Ų | 122.7 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.2 | -30.7 | 174 | -76.7 | -30.3 | 0 | 0 | 0 | 112.7 | C136 N137 R143 R144 | C136-D140 PolarHBondContact O-N 3.39Å; C136-D140 VanDerWaalsContact O-N 3.15Å; N137-D140 PolarHBondContact O-N 3.32Å; D140-R143 PolarHBondContact O-N 2.95Å; D140-R144 WeakPolarHBondContact O-CG 3.18Å; D140-R144 PolarHBondContact O-N 3.45Å |
| 141 | L | 55.5 | Low | 54.1 | Low | 90 Ų | 90 | 123.4 Ų | 123.4 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 170.4 | -88.5 | 156.4 | 0 | 0 | 0 | 111.2 | N137 L138 R143 R144 V145 | N137-L141 VanDerWaalsContact O-CB 3.23Å; N137-L141 WeakPolarHBondContact O-CB 3.34Å; N137-L141 WeakPolarHBondContact O-CD1 3.37Å; N137-L141 VanDerWaalsContact O-CG 3.27Å; N137-L141 WeakPolarHBondContact O-CG 3.28Å; N137-L141 PolarHBondContact O-N 3.27Å; L138-L141 PolarHBondContact O-N 3.38Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.39Å; L141-R144 PolarHBondContact O-N 2.82Å; L141-R144 VanDerWaalsContact O-N 3.17Å; L141-V145 VanDerWaalsContact O-CG2 3.32Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.39Å |
| 142 | G | 61.2 | Low | 53.8 | Low | 44 Ų | 44 | 122.1 Ų | 122.1 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.2 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L138 R139 H146 | L138-G142 PolarHBondContact O-N 2.82Å; R139-G142 PolarHBondContact O-N 3.19Å; G142-H146 PolarHBondContact O-N 2.78Å; G142-H146 VanDerWaalsContact O-N 3.14Å |
| 143 | R | 55.5 | Low | 53.3 | Low | 193 Ų | 193 | 124.3 Ų | 124.3 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71 | -36.3 | 176.6 | -160.5 | 178.5 | -90.8 | -168.8 | -7.5 | 112.4 | R139 D140 L141 L147 | R139-R143 PolarHBondContact O-N 2.8Å; D140-R143 PolarHBondContact O-N 2.95Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.39Å; R143-L147 PolarHBondContact O-N 2.69Å |
| 144 | R | 55 | Low | 52.8 | Low | 172 Ų | 172 | 125.2 Ų | 125.2 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.1 | -35.6 | 174.6 | -69.9 | -179.1 | -153.1 | -132.6 | 7.2 | 113.2 | D140 L141 L147 R148 | D140-R144 WeakPolarHBondContact O-CG 3.18Å; D140-R144 PolarHBondContact O-N 3.45Å; L141-R144 PolarHBondContact O-N 2.82Å; L141-R144 VanDerWaalsContact O-N 3.17Å; R144-L147 PolarHBondContact O-N 3.25Å; R144-R148 PolarHBondContact O-N 3.42Å |
| 145 | V | 56.5 | Low | 52.5 | Low | 97 Ų | 97 | 119.7 Ų | 119.7 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L141 L147 R148 K149 | L141-V145 VanDerWaalsContact O-CG2 3.32Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.39Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.86Å; V145-R148 PolarHBondContact O-N 3.17Å; V145-K149 PolarHBondContact O-N 3.31Å |
| 146 | H | 53.5 | Low | 52.1 | Low | 146 Ų | 146 | 119.9 Ų | 119.9 | 68% | 0.676 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -33.3 | 176.9 | -145.9 | -73.7 | 0 | 0 | 0 | 112.7 | G142 L150 | G142-H146 PolarHBondContact O-N 2.78Å; G142-H146 VanDerWaalsContact O-N 3.14Å; H146-L150 PolarHBondContact O-N 2.84Å |
| 147 | L | 51.3 | Low | 51.4 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.8 | -41.1 | 175.9 | -155.6 | 120.4 | 0 | 0 | 0 | 111.9 | R143 R144 V145 K149 L150 E151 | R143-L147 PolarHBondContact O-N 2.69Å; R144-L147 PolarHBondContact O-N 3.25Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.86Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.49Å; L147-L150 WeakPolarHBondContact O-CB 3.1Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-L150 VanDerWaalsContact O-N 3.16Å; L147-E151 PolarHBondContact O-N 2.7Å |
| 148 | R | 52.6 | Low | 50.9 | Low | 195 Ų | 195 | 125.1 Ų | 125.1 | 74% | 0.736 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.8 | -36.8 | 172.9 | -108.9 | -176.9 | 179.9 | 172 | -0.9 | 112.9 | R144 V145 L150 E151 D152 | R144-R148 PolarHBondContact O-N 3.42Å; V145-R148 PolarHBondContact O-N 3.17Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.79Å; R148-E151 PolarHBondContact O-N 3.32Å; R148-D152 PolarHBondContact O-N 2.73Å |
| 149 | K | 46.8 | Very low | 50.4 | Low | 161 Ų | 161 | 128.5 Ų | 128.5 | 70% | 0.7 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.3 | -30.1 | 176.9 | -164.8 | 176.3 | -177.5 | -179.2 | 0 | 112.7 | V145 L147 S153 | V145-K149 PolarHBondContact O-N 3.31Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.49Å; K149-S153 WeakPolarHBondContact O-CB 3.3Å; K149-S153 PolarHBondContact O-N 2.91Å |
| 150 | L | 46.6 | Very low | 50 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 69% | 0.686 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.6 | -37.5 | 172.9 | -170.7 | 70.4 | 0 | 0 | 0 | 111.2 | H146 L147 R148 S153 S154 | H146-L150 PolarHBondContact O-N 2.84Å; L147-L150 WeakPolarHBondContact O-CB 3.1Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-L150 VanDerWaalsContact O-N 3.16Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.79Å; L150-S153 PolarHBondContact O-N 2.82Å; L150-S154 PolarHBondContact O-N 3.45Å; L150-S154 VanDerWaalsContact O-N 3.1Å |
| 151 | E | 49.1 | Very low | 49.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 62% | 0.621 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.4 | -40.2 | -179.3 | -148.2 | 150.5 | 142.9 | 0 | 0 | 112.6 | L147 R148 S153 S154 G155 | L147-E151 PolarHBondContact O-N 2.7Å; R148-E151 PolarHBondContact O-N 3.32Å; E151-S153 VanDerWaalsContact C-N 3.29Å; E151-S153 PolarHBondContact O-N 2.73Å; E151-S154 WeakPolarHBondContact O-CB 3.44Å; E151-S154 PolarHBondContact O-N 2.92Å; E151-S154 VanDerWaalsContact O-N 3.13Å; E151-G155 PolarHBondContact O-N 3.2Å |
| 152 | D | 48.7 | Very low | 48.4 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.8 | -28 | 172.2 | -83.1 | -23.1 | 0 | 0 | 0 | 112.4 | R148 S154 N156 | R148-D152 PolarHBondContact O-N 2.73Å; D152-S154 VanDerWaalsContact C-N 3.34Å; D152-N156 PolarHBondContact O-N 2.81Å |
| 153 | S | 47.4 | Very low | 47.3 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.9 | -24.6 | 172.3 | -167.8 | 0 | 0 | 0 | 0 | 112.7 | K149 L150 E151 | K149-S153 WeakPolarHBondContact O-CB 3.3Å; K149-S153 PolarHBondContact O-N 2.91Å; L150-S153 PolarHBondContact O-N 2.82Å; E151-S153 VanDerWaalsContact C-N 3.29Å; E151-S153 PolarHBondContact O-N 2.73Å |
| 154 | S | 44.7 | Very low | 46.8 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.8 | -28.4 | 172.4 | -171 | 0 | 0 | 0 | 0 | 112.1 | L150 E151 D152 | L150-S154 PolarHBondContact O-N 3.45Å; L150-S154 VanDerWaalsContact O-N 3.1Å; E151-S154 WeakPolarHBondContact O-CB 3.44Å; E151-S154 PolarHBondContact O-N 2.92Å; E151-S154 VanDerWaalsContact O-N 3.13Å; D152-S154 VanDerWaalsContact C-N 3.34Å |
| 155 | G | 46.5 | Very low | 46.1 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -77.4 | -17.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E151 | E151-G155 PolarHBondContact O-N 3.2Å |
| 156 | N | 44.2 | Very low | 45.7 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 28.8 | 178.8 | -155 | 16.1 | 0 | 0 | 0 | 113.2 | D152 V158 | D152-N156 PolarHBondContact O-N 2.81Å; N156-V158 VanDerWaalsContact C-N 3.28Å; N156-V158 PolarHBondContact O-N 3.1Å |
| 157 | M | 43 | Very low | 45.3 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | -76.9 | 87.8 | 166.1 | -159.1 | 171.4 | -172.7 | 0 | 0 | 107.5 | H159 | M157-H159 PolarHBondContact O-N 3.18Š| ||
| 158 | V | 45.8 | Very low | 45 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | trans | -49.8 | 112.1 | 167.9 | 175.6 | 0 | 0 | 0 | 0 | 106.9 | N156 I160 | N156-V158 VanDerWaalsContact C-N 3.28Å; N156-V158 PolarHBondContact O-N 3.1Å; V158-I160 VanDerWaalsContact C-N 3.31Å; V158-I160 PolarHBondContact O-N 3.07Å | ||
| 159 | H | 43 | Very low | 44.5 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -55.3 | 97.9 | 171.1 | -85.1 | -90.3 | 0 | 0 | 0 | 108 | M157 K161 | M157-H159 PolarHBondContact O-N 3.18Å; H159-K161 PolarHBondContact O-N 2.89Å | ||
| 160 | I | 45.8 | Very low | 44.9 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -69.2 | 87.5 | 164.3 | -61.9 | 176.2 | 0 | 0 | 0 | 104.9 | V158 Q162 | V158-I160 VanDerWaalsContact C-N 3.31Å; V158-I160 PolarHBondContact O-N 3.07Å; I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 2.94Å | ||
| 161 | K | 38.7 | Very low | 44.8 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -61.5 | 97.7 | 172.8 | -168.2 | 179.5 | -174 | 174.9 | 0 | 106.6 | H159 K163 | H159-K161 PolarHBondContact O-N 2.89Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.41Å | ||
| 162 | Q | 39.4 | Very low | 45 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -61.3 | 92.8 | 170.9 | -169.4 | 174 | -17.3 | 0 | 0 | 107.6 | I160 L164 | I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 2.94Å; Q162-L164 PolarHBondContact O-N 3.02Å; Q162-L164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | K | 40 | Very low | 45 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | trans | -72 | 102 | 174.2 | -73.4 | -174.3 | -179.5 | 179.4 | 0 | 107.4 | K161 Y165 | K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.41Å; K163-Y165 WeakPolarHBondContact O-CD2 3.42Å; K163-Y165 PolarHBondContact O-N 3.1Å | ||
| 164 | L | 44.1 | Very low | 44.7 | Very low | 139 Ų | 139 | 146 Ų | 146 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -63.5 | 109.1 | 166.5 | -172 | 71.4 | 0 | 0 | 0 | 107.9 | Q162 H166 | Q162-L164 PolarHBondContact O-N 3.02Å; Q162-L164 VanDerWaalsContact O-N 3.1Å; L164-H166 PolarHBondContact O-N 3.33Å | ||
| 165 | Y | 41 | Very low | 44.6 | Very low | 200 Ų | 200 | 153.4 Ų | 153.4 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -73.1 | 114.9 | 172.6 | -71.2 | -90.6 | 0 | 0 | 0 | 108.6 | K163 | K163-Y165 WeakPolarHBondContact O-CD2 3.42Å; K163-Y165 PolarHBondContact O-N 3.1Å | ||
| 166 | H | 47.9 | Very low | 44.5 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 114 | 161.1 | -80.3 | 2.8 | 0 | 0 | 0 | 107.9 | L164 G168 | L164-H166 PolarHBondContact O-N 3.33Å; H166-G168 PolarHBondContact O-N 3.44Å; H166-G168 VanDerWaalsContact O-N 3.1Å | ||
| 167 | N | 43.8 | Very low | 44.5 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -63.2 | 109.8 | 167.3 | -73 | -32.9 | 0 | 0 | 0 | 108 | H169 | N167-H169 PolarHBondContact O-N 3.1Å; N167-H169 VanDerWaalsContact O-N 3.1Å | ||
| 168 | G | 45.4 | Very low | 44.6 | Very low | 74 Ų | 74 | 158.9 Ų | 158.9 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -66.6 | 104.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H166 | H166-G168 PolarHBondContact O-N 3.44Å; H166-G168 VanDerWaalsContact O-N 3.1Å | ||
| 169 | H | 43 | Very low | 44.5 | Very low | 179 Ų | 179 | 162.1 Ų | 162.1 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 124.2 | 157.1 | -101.8 | -83.6 | 0 | 0 | 0 | 108.6 | N167 | N167-H169 PolarHBondContact O-N 3.1Å; N167-H169 VanDerWaalsContact O-N 3.1Å |
| 170 | P | 53.8 | Low | 44.6 | Very low | 117 Ų | 117 | 160.9 Ų | 160.9 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 132.4 | 174.2 | 27.7 | -30.8 | 0 | 0 | 0 | 111 | ||
| 171 | S | 45.8 | Very low | 44.5 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.9 | 166.2 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 172 | P | 52.3 | Low | 44.9 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.8 | 171.7 | 30.7 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 173 | R | 48.3 | Very low | 45.3 | Very low | 245 Ų | 245 | 158.6 Ų | 158.6 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.6 | 171 | -108.2 | 175 | 170.7 | 156.9 | -3.9 | 110.1 | ||
| 174 | N | 41.8 | Very low | 45.8 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 130 | 170.7 | -63.9 | -47.6 | 0 | 0 | 0 | 113.1 | ||
| 175 | L | 42.3 | Very low | 45.9 | Very low | 249 Ų | 249 | 161 Ų | 161 | 100% | 1.304 | 85% | 0.85 | S | S | * | * | trans | -154.4 | 0 | 140.3 | -103.9 | 158.5 | 0 | 0 | 0 | 107.6 |
Retrieved 175 of 175 residues in 132.1 ms
(Link to these results)