| 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 | 40.5 | Very low | 54.1 | Low | 233 Ų | 233 | 130.5 Ų | 130.5 | 100% | 1.148 | 67% | 0.669 | S | S | * | * | 0 | 115.8 | 0 | -72.3 | 174.9 | -175.9 | 0 | 0 | 107.5 | N3 | M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | R | 48.7 | Very low | 54.6 | Low | 217 Ų | 217 | 123.8 Ų | 123.8 | 82% | 0.819 | 64% | 0.635 | S | S | * | * | trans | -68.5 | 108.2 | -179 | -173.5 | 175.6 | 168.1 | -176.9 | -2.7 | 107.1 | N4 | R2-N4 PolarHBondContact NE-OD1 3.11Å; R2-N4 PolarHBondContact O-N 3.41Å | ||
| 3 | N | 49.5 | Very low | 54.8 | Low | 151 Ų | 151 | 119.7 Ų | 119.7 | 81% | 0.807 | 62% | 0.615 | S | S | * | * | trans | -62.8 | 81.7 | 174.8 | -76.6 | 12.8 | 0 | 0 | 0 | 108.6 | M1 F5 | M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-F5 PolarHBondContact O-N 3.35Å | ||
| 4 | N | 58.1 | Low | 55 | Low | 112 Ų | 112 | 115.3 Ų | 115.3 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | trans | -73.8 | -9.6 | -179.6 | -77.9 | -44 | 0 | 0 | 0 | 112.3 | R2 P6 | R2-N4 PolarHBondContact NE-OD1 3.11Å; R2-N4 PolarHBondContact O-N 3.41Å; N4-P6 VanDerWaalsContact O-CD 3.28Å; N4-P6 WeakPolarHBondContact O-CD 3.35Å | ||
| 5 | F | 55.1 | Low | 55.3 | Low | 171 Ų | 171 | 115.9 Ų | 115.9 | 75% | 0.75 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -88.5 | 108.5 | 170 | -68.7 | -74.6 | 0 | 0 | 0 | 108.7 | N3 | N3-F5 PolarHBondContact O-N 3.35Š|
| 6 | P | 55.5 | Low | 56.1 | Low | 44 Ų | 44 | 116.3 Ų | 116.3 | 29% | 0.286 | 59% | 0.591 | S | S | . | * | trans | -59.1 | 145.2 | 173.6 | 26.2 | -33 | 0 | 0 | 0 | 109 | N4 L8 N12 | N4-P6 VanDerWaalsContact O-CD 3.28Å; N4-P6 WeakPolarHBondContact O-CD 3.35Å; P6-L8 PolarHBondContact O-N 3.09Å; P6-N12 HydrophobicContact CB-CB 4.44Å | ||
| 7 | S | 58.1 | Low | 56.8 | Low | 76 Ų | 76 | 113.1 Ų | 113.1 | 53% | 0.531 | 57% | 0.571 | S | S | . | * | trans | -50 | 142.6 | -179.1 | 55 | 0 | 0 | 0 | 0 | 111.3 | T9 N12 | S7-T9 PolarHBondContact O-N 2.71Å; S7-T9 PolarHBondContact OG-OG1 3.49Å; S7-T9 VanDerWaalsContact OG-OG1 3.09Å; S7-N12 WeakPolarHBondContact O-CB 3.4Å; S7-N12 PolarHBondContact O-ND2 2.83Å | ||
| 8 | L | 54.6 | Low | 57.9 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | trans | -66.3 | 41.7 | 175.3 | -83.3 | 150.5 | 0 | 0 | 0 | 112.9 | P6 L13 Y17 | P6-L8 PolarHBondContact O-N 3.09Å; L8-L13 HydrophobicContact CD2-CD1 4.16Å; L8-L13 HydrophobicContact CD2-CD2 4.32Å; L8-L13 HydrophobicContact CD2-CG 4.24Å; L8-Y17 HydrophobicContact CD2-CE2 4.42Å | ||
| 9 | T | 60.6 | Low | 58.9 | Low | 76 Ų | 76 | 104.7 Ų | 104.7 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | trans | -74.6 | 139.6 | 170.4 | -53.9 | 0 | 0 | 0 | 0 | 108.5 | S7 K11 N12 L13 | S7-T9 PolarHBondContact O-N 2.71Å; S7-T9 PolarHBondContact OG-OG1 3.49Å; S7-T9 VanDerWaalsContact OG-OG1 3.09Å; T9-K11 PolarHBondContact O-N 3.14Å; T9-N12 WeakPolarHBondContact O-CA 3.47Å; T9-N12 PolarHBondContact O-N 2.91Å; T9-L13 PolarHBondContact O-N 2.97Å; T9-L13 VanDerWaalsContact O-N 3.14Å | ||
| 10 | G | 55.7 | Low | 59.9 | Low | 49 Ų | 49 | 104 Ų | 104 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -50.9 | -31.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | C14 | G10-C14 PolarHBondContact O-N 3.23Å |
| 11 | K | 58.3 | Low | 60.9 | Low | 179 Ų | 179 | 101.4 Ų | 101.4 | 78% | 0.778 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 173.2 | -77.2 | -178 | 177 | 175.2 | 0 | 113.5 | T9 K15 | T9-K11 PolarHBondContact O-N 3.14Å; K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 2.88Å; K11-K15 VanDerWaalsContact O-N 3.08Å |
| 12 | N | 60 | Low | 63 | Low | 49 Ų | 49 | 90.3 Ų | 90.3 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.8 | -35.4 | 178.2 | -67.5 | -22 | 0 | 0 | 0 | 111.4 | P6 S7 T9 K15 F16 Y17 | P6-N12 HydrophobicContact CB-CB 4.44Å; S7-N12 WeakPolarHBondContact O-CB 3.4Å; S7-N12 PolarHBondContact O-ND2 2.83Å; T9-N12 WeakPolarHBondContact O-CA 3.47Å; T9-N12 PolarHBondContact O-N 2.91Å; N12-K15 PolarHBondContact O-N 3.33Å; N12-F16 WeakPolarHBondContact O-CA 3.47Å; N12-F16 VanDerWaalsContact O-CB 3.29Å; N12-F16 WeakPolarHBondContact O-CB 3.29Å; N12-F16 PolarHBondContact O-N 3Å; N12-Y17 PolarHBondContact O-N 3.44Å |
| 13 | L | 57.9 | Low | 64.7 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | I | π-helix | trans | -53.6 | -54 | 170.8 | -92 | 147 | 0 | 0 | 0 | 111.2 | L8 T9 K15 Y17 I18 | L8-L13 HydrophobicContact CD2-CD1 4.16Å; L8-L13 HydrophobicContact CD2-CD2 4.32Å; L8-L13 HydrophobicContact CD2-CG 4.24Å; T9-L13 PolarHBondContact O-N 2.97Å; T9-L13 VanDerWaalsContact O-N 3.14Å; L13-K15 PolarHBondContact O-N 3.26Å; L13-Y17 HydrophobicContact CD2-CD2 4.41Å; L13-Y17 HydrophobicContact CD2-CG 4.34Å; L13-Y17 HydrophobicContact CG-CD2 4.25Å; L13-Y17 WeakPolarHBondContact O-CA 3.5Å; L13-Y17 WeakPolarHBondContact O-CB 3.24Å; L13-Y17 PolarHBondContact O-N 3.2Å; L13-Y17 VanDerWaalsContact O-N 3.12Å; L13-I18 PolarHBondContact O-N 3.38Å |
| 14 | C | 56.9 | Low | 66.5 | Low | 58 Ų | 58 | 77.7 Ų | 77.7 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -69.6 | -34.8 | -179.7 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | G10 I18 | G10-C14 PolarHBondContact O-N 3.23Å; C14-I18 HydrophobicContact CB-CD1 4.24Å |
| 15 | K | 60.5 | Low | 67.8 | Low | 125 Ų | 125 | 72.9 Ų | 72.9 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -87.8 | -27.3 | -172.6 | -156.7 | 178.8 | -176 | -169.5 | 0 | 113.8 | K11 N12 L13 P19 | K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 2.88Å; K11-K15 VanDerWaalsContact O-N 3.08Å; N12-K15 PolarHBondContact O-N 3.33Å; L13-K15 PolarHBondContact O-N 3.26Å; K15-P19 WeakPolarHBondContact O-CG 3.29Å |
| 16 | F | 67.9 | Low | 69.4 | Low | 121 Ų | 121 | 64.8 Ų | 64.8 | 53% | 0.531 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -120 | -47.1 | -172.9 | -149.1 | -91.4 | 0 | 0 | 0 | 112.1 | N12 L20 | N12-F16 WeakPolarHBondContact O-CA 3.47Å; N12-F16 VanDerWaalsContact O-CB 3.29Å; N12-F16 WeakPolarHBondContact O-CB 3.29Å; N12-F16 PolarHBondContact O-N 3Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.75Å; F16-L20 VanDerWaalsContact O-N 3.09Å |
| 17 | Y | 67.3 | Low | 71 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -76.2 | -37.7 | -175.4 | -69.3 | -93.6 | 0 | 0 | 0 | 113.1 | L8 N12 L13 L20 S21 | L8-Y17 HydrophobicContact CD2-CE2 4.42Å; N12-Y17 PolarHBondContact O-N 3.44Å; L13-Y17 HydrophobicContact CD2-CD2 4.41Å; L13-Y17 HydrophobicContact CD2-CG 4.34Å; L13-Y17 HydrophobicContact CG-CD2 4.25Å; L13-Y17 WeakPolarHBondContact O-CA 3.5Å; L13-Y17 WeakPolarHBondContact O-CB 3.24Å; L13-Y17 PolarHBondContact O-N 3.2Å; L13-Y17 VanDerWaalsContact O-N 3.12Å; Y17-L20 PolarHBondContact O-N 2.8Å; Y17-S21 WeakPolarHBondContact O-CB 3.42Å; Y17-S21 PolarHBondContact O-N 3.25Å; Y17-S21 PolarHBondContact O-OG 3.21Å |
| 18 | I | 76.3 | Confident | 72.4 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 176.5 | -67.4 | 179.7 | 0 | 0 | 0 | 111.6 | L13 C14 L20 S21 G22 F64 | L13-I18 PolarHBondContact O-N 3.38Å; C14-I18 HydrophobicContact CB-CD1 4.24Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.08Å; I18-S21 PolarHBondContact O-N 3.32Å; I18-S21 PolarHBondContact O-OG 3.06Å; I18-G22 PolarHBondContact O-N 3.31Å; I18-F64 HydrophobicContact CG2-CB 3.77Å; I18-F64 HydrophobicContact CG2-CD2 4.34Å; I18-F64 HydrophobicContact CG2-CG 4.14Å |
| 19 | P | 76.7 | Confident | 74 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | 174 | -27.3 | 38.1 | 0 | 0 | 0 | 112.9 | K15 G22 A23 Y65 | K15-P19 WeakPolarHBondContact O-CG 3.29Å; P19-G22 PolarHBondContact O-N 2.83Å; P19-A23 WeakPolarHBondContact O-CB 3.48Å; P19-A23 PolarHBondContact O-N 3.39Å; P19-Y65 HydrophobicContact CB-CD2 3.83Å; P19-Y65 HydrophobicContact CB-CG 4.27Å; P19-Y65 HydrophobicContact CG-CD2 3.84Å; P19-Y65 HydrophobicContact CG-CG 4.32Å |
| 20 | L | 79.5 | Confident | 75.2 | Confident | 89 Ų | 89 | 55 Ų | 55 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 177.3 | -173.2 | 68.4 | 0 | 0 | 0 | 111.8 | F16 Y17 I18 G22 A23 V24 | F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.75Å; F16-L20 VanDerWaalsContact O-N 3.09Å; Y17-L20 PolarHBondContact O-N 2.8Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.08Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 3.19Å; L20-A23 PolarHBondContact O-N 3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 2.94Å |
| 21 | S | 81.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 55 Ų | 55 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 174.6 | 72.5 | 0 | 0 | 0 | 0 | 111 | Y17 I18 S25 | Y17-S21 WeakPolarHBondContact O-CB 3.42Å; Y17-S21 PolarHBondContact O-N 3.25Å; Y17-S21 PolarHBondContact O-OG 3.21Å; I18-S21 PolarHBondContact O-N 3.32Å; I18-S21 PolarHBondContact O-OG 3.06Å; S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 3.25Å; S21-S25 PolarHBondContact O-OG 3.16Å |
| 22 | G | 83.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I18 P19 L20 V24 S25 H26 | I18-G22 PolarHBondContact O-N 3.31Å; P19-G22 PolarHBondContact O-N 2.83Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 3.19Å; G22-V24 PolarHBondContact O-N 2.78Å; G22-S25 CarbonylContact O-C 3.57Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.3Å; G22-H26 WeakPolarHBondContact O-CB 3.28Å; G22-H26 PolarHBondContact O-N 3.09Å |
| 23 | A | 85.2 | Confident | 79.3 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | P19 L20 H26 S27 I124 | P19-A23 WeakPolarHBondContact O-CB 3.48Å; P19-A23 PolarHBondContact O-N 3.39Å; L20-A23 PolarHBondContact O-N 3Å; A23-H26 PolarHBondContact O-N 3.03Å; A23-S27 PolarHBondContact O-N 3.29Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.45Å; A23-I124 HydrophobicContact CB-CD1 3.92Å; A23-I124 HydrophobicContact CB-CG2 4.28Å |
| 24 | V | 86.6 | Confident | 80.5 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | L20 G22 H26 S27 L28 | L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 2.94Å; G22-V24 PolarHBondContact O-N 2.78Å; V24-H26 VanDerWaalsContact C-N 3.3Å; V24-H26 PolarHBondContact O-N 2.96Å; V24-S27 PolarHBondContact O-N 3.27Å; V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.18Å |
| 25 | S | 86.9 | Confident | 81.7 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | 178 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | S21 G22 L28 F29 N57 | S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 3.25Å; S21-S25 PolarHBondContact O-OG 3.16Å; G22-S25 CarbonylContact O-C 3.57Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.3Å; S25-L28 PolarHBondContact O-N 3.48Å; S25-F29 WeakPolarHBondContact O-CB 3.44Å; S25-F29 PolarHBondContact O-N 3.08Å; S25-N57 PolarHBondContact OG-ND2 3.39Å |
| 26 | H | 88.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.5 | -167.3 | -96 | 0 | 0 | 0 | 111.9 | G22 A23 V24 F29 G30 S58 F91 S95 F99 S120 I124 | G22-H26 WeakPolarHBondContact O-CB 3.28Å; G22-H26 PolarHBondContact O-N 3.09Å; A23-H26 PolarHBondContact O-N 3.03Å; V24-H26 VanDerWaalsContact C-N 3.3Å; V24-H26 PolarHBondContact O-N 2.96Å; H26-F29 WeakPolarHBondContact O-CB 2.88Å; H26-F29 PolarHBondContact O-N 3.01Å; H26-G30 PolarHBondContact O-N 3.15Å; H26-S58 VanDerWaalsContact CB-OG 3.32Å; H26-S58 WeakPolarHBondContact CB-OG 3.49Å; H26-S58 PolarHBondContact CD2-OG 2.9Å; H26-S58 VanDerWaalsContact CD2-OG 3.3Å; H26-F91 AromaticContact CD2-CE1 3.79Å; H26-F91 AromaticContact CE1-CE1 3.9Å; H26-F91 AromaticContact NE2-CE1 3.52Å; H26-S95 PolarHBondContact CE1-OG 3.24Å; H26-S95 WeakPolarHBondContact NE2-CB 3.45Å; H26-S95 PolarHBondContact NE2-OG 3.27Å; H26-F99 AromaticContact CE1-CZ 3.93Å; H26-S120 PolarHBondContact ND1-OG 2.81Å; H26-I124 HydrophobicContact CB-CD1 4.21Å |
| 27 | S | 88 | Confident | 82.9 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | A23 V24 F29 G30 L31 S120 | A23-S27 PolarHBondContact O-N 3.29Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.45Å; V24-S27 PolarHBondContact O-N 3.27Å; S27-F29 VanDerWaalsContact C-N 3.35Å; S27-G30 PolarHBondContact O-N 3.17Å; S27-L31 WeakPolarHBondContact O-CG 3.33Å; S27-L31 PolarHBondContact O-N 2.7Å; S27-L31 VanDerWaalsContact O-N 3.09Å; S27-S120 PolarHBondContact OG-OG 3.29Å |
| 28 | L | 87.3 | Confident | 83.2 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 172.4 | -72.8 | 172.5 | 0 | 0 | 0 | 111.9 | V24 S25 L31 L32 L54 | V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.18Å; S25-L28 PolarHBondContact O-N 3.48Å; L28-L31 HydrophobicContact CD2-CD1 4.48Å; L28-L31 WeakPolarHBondContact O-CB 3.16Å; L28-L31 PolarHBondContact O-N 3.07Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.95Å; L28-L54 HydrophobicContact CB-CD1 4Å; L28-L54 HydrophobicContact CB-CD2 4.29Å; L28-L54 HydrophobicContact CD1-CD2 4.36Å |
| 29 | F | 89.1 | Confident | 83 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 174.2 | 165 | -103.4 | 0 | 0 | 0 | 110.9 | S25 H26 S27 L31 L32 Y33 T51 L54 F55 V96 F99 | S25-F29 WeakPolarHBondContact O-CB 3.44Å; S25-F29 PolarHBondContact O-N 3.08Å; H26-F29 WeakPolarHBondContact O-CB 2.88Å; H26-F29 PolarHBondContact O-N 3.01Å; S27-F29 VanDerWaalsContact C-N 3.35Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.09Å; F29-L32 PolarHBondContact O-N 3.03Å; F29-Y33 HydrophobicContact CE2-CD2 4.24Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.34Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.36Å; F29-T51 HydrophobicContact CD2-CG2 3.54Å; F29-T51 WeakPolarHBondContact CD2-O 3.45Å; F29-T51 HydrophobicContact CE2-CG2 3.52Å; F29-L54 HydrophobicContact CB-CB 4.09Å; F29-F55 HydrophobicContact CD1-CD2 4.13Å; F29-F55 HydrophobicContact CD2-CB 3.72Å; F29-F55 HydrophobicContact CD2-CD2 4.2Å; F29-F55 HydrophobicContact CD2-CG 4.43Å; F29-F55 AromaticContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CE2 4.26Å; F29-F55 HydrophobicContact CE2-CB 3.72Å; F29-F55 AromaticContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CG 4.07Å; F29-F55 HydrophobicContact CG-CB 4.35Å; F29-F55 HydrophobicContact CG-CD2 4.36Å; F29-F55 HydrophobicContact CZ-CB 4.37Å; F29-F55 AromaticContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CE2 4.2Å; F29-F55 HydrophobicContact CZ-CG 4.26Å; F29-V96 HydrophobicContact CE1-CG2 3.9Å; F29-V96 HydrophobicContact CZ-CG2 3.76Å; F29-F99 HydrophobicContact CD1-CD2 4.35Å; F29-F99 AromaticContact CD1-CE2 3.85Å; F29-F99 HydrophobicContact CD1-CE2 3.85Å; F29-F99 AromaticContact CE1-CD2 3.86Å; F29-F99 HydrophobicContact CE1-CD2 3.86Å; F29-F99 AromaticContact CE1-CE2 3.79Å; F29-F99 HydrophobicContact CE1-CE2 3.79Å |
| 30 | G | 86 | Confident | 82.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | H26 S27 M34 | H26-G30 PolarHBondContact O-N 3.15Å; S27-G30 PolarHBondContact O-N 3.17Å; G30-M34 VanDerWaalsContact O-CG 3.25Å; G30-M34 WeakPolarHBondContact O-CG 3.5Å; G30-M34 PolarHBondContact O-N 3.12Å; G30-M34 VanDerWaalsContact O-N 3.11Å |
| 31 | L | 87.1 | Confident | 82.5 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -50.4 | 176 | -72.6 | 174.4 | 0 | 0 | 0 | 112.8 | S27 L28 F29 M34 R35 L113 L117 | S27-L31 WeakPolarHBondContact O-CG 3.33Å; S27-L31 PolarHBondContact O-N 2.7Å; S27-L31 VanDerWaalsContact O-N 3.09Å; L28-L31 HydrophobicContact CD2-CD1 4.48Å; L28-L31 WeakPolarHBondContact O-CB 3.16Å; L28-L31 PolarHBondContact O-N 3.07Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.09Å; L31-M34 PolarHBondContact O-N 2.91Å; L31-R35 PolarHBondContact O-N 3.49Å; L31-L113 HydrophobicContact CD2-CB 4.48Å; L31-L113 HydrophobicContact CD2-CD2 3.74Å; L31-L117 HydrophobicContact CD1-CD2 3.98Å; L31-L117 HydrophobicContact CD2-CD1 3.87Å; L31-L117 HydrophobicContact CD2-CD2 3.86Å; L31-L117 HydrophobicContact CD2-CG 3.69Å; L31-L117 HydrophobicContact CG-CD2 3.75Å; L31-L117 HydrophobicContact CG-CG 4.17Å |
| 32 | L | 87.1 | Confident | 82.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -35.7 | -179.2 | -64.4 | -171.1 | 0 | 0 | 0 | 112.2 | L28 F29 M34 R35 P36 V38 V39 L50 T51 L54 | L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.95Å; F29-L32 PolarHBondContact O-N 3.03Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 2.8Å; L32-R35 CarbonylContact O-C 3.09Å; L32-R35 PolarHBondContact O-N 2.88Å; L32-P36 WeakPolarHBondContact O-CA 3.38Å; L32-P36 VanDerWaalsContact O-N 3.1Å; L32-V38 HydrophobicContact CD2-CB 4.26Å; L32-V38 HydrophobicContact CD2-CG1 4.24Å; L32-V39 HydrophobicContact CD1-CG2 4.19Å; L32-V39 HydrophobicContact CD2-CG2 3.85Å; L32-L50 HydrophobicContact CD1-CD2 3.63Å; L32-L50 HydrophobicContact CD1-CG 3.77Å; L32-T51 WeakPolarHBondContact CB-OG1 3.27Å; L32-L54 HydrophobicContact CD1-CD1 3.51Å; L32-L54 HydrophobicContact CG-CD1 4.39Å |
| 33 | Y | 84.8 | Confident | 81.7 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.9 | -175.3 | -93.5 | 0 | 0 | 0 | 111.6 | F29 F99 | F29-Y33 HydrophobicContact CE2-CD2 4.24Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.34Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.36Å; Y33-F99 HydrophobicContact CD1-CB 3.84Å; Y33-F99 HydrophobicContact CD1-CD2 4.49Å; Y33-F99 HydrophobicContact CE1-CB 3.85Å |
| 34 | M | 84.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76 | -45.2 | 174.6 | -66.1 | -53.6 | -173.8 | 0 | 0 | 112.1 | G30 L31 L32 P36 F99 I102 K103 R112 L113 A116 | G30-M34 VanDerWaalsContact O-CG 3.25Å; G30-M34 WeakPolarHBondContact O-CG 3.5Å; G30-M34 PolarHBondContact O-N 3.12Å; G30-M34 VanDerWaalsContact O-N 3.11Å; L31-M34 PolarHBondContact O-N 2.91Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 2.8Å; M34-P36 WeakPolarHBondContact O-CD 3.39Å; M34-F99 HydrophobicContact CE-CB 3.64Å; M34-F99 HydrophobicContact CE-CD1 4.1Å; M34-F99 HydrophobicContact CE-CG 4.1Å; M34-F99 VanDerWaalsContact CE-O 3.28Å; M34-F99 WeakPolarHBondContact CE-O 3.41Å; M34-I102 HydrophobicContact CE-CB 3.95Å; M34-I102 HydrophobicContact CE-CG2 3.84Å; M34-K103 HydrophobicContact SD-CB 4.07Å; M34-R112 HydrophobicContact CB-CG 4.17Å; M34-R112 HydrophobicContact CE-CG 4.13Å; M34-R112 HydrophobicContact CG-CG 3.89Å; M34-R112 PolarHBondContact O-NH1 3.27Å; M34-R112 PolarHBondContact O-NH2 3.09Å; M34-R112 HydrophobicContact SD-CG 3.4Å; M34-R112 WeakPolarHBondContact SD-CG 3.49Å; M34-L113 HydrophobicContact CB-CD2 3.81Å; M34-A116 HydrophobicContact CE-CB 3.7Å; M34-A116 HydrophobicContact CG-CB 3.69Å |
| 35 | R | 81.8 | Confident | 81 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | trans | -119.7 | 88.9 | 177.8 | -91.7 | -159.9 | 173.4 | 175 | -6.7 | 111.6 | L31 L32 G37 V38 L113 | L31-R35 PolarHBondContact O-N 3.49Å; L32-R35 CarbonylContact O-C 3.09Å; L32-R35 PolarHBondContact O-N 2.88Å; R35-G37 PolarHBondContact O-N 3.5Å; R35-V38 HydrophobicContact CB-CG2 3.73Å; R35-V38 PolarHBondContact O-N 2.96Å; R35-L113 HydrophobicContact CB-CD2 4.27Å; R35-L113 HydrophobicContact CG-CD1 4.18Å; R35-L113 HydrophobicContact CG-CD2 4.25Å; R35-L113 HydrophobicContact CG-CG 4.5Å | ||
| 36 | P | 76.6 | Confident | 80.7 | Confident | 76 Ų | 76 | 69 Ų | 69 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -63.1 | -30.7 | 174.1 | 23.5 | -32.7 | 0 | 0 | 0 | 112.3 | L32 M34 V38 V39 | L32-P36 WeakPolarHBondContact O-CA 3.38Å; L32-P36 VanDerWaalsContact O-N 3.1Å; M34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-V38 PolarHBondContact O-N 2.91Å; P36-V38 VanDerWaalsContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 3.35Å |
| 37 | G | 76.5 | Confident | 80.3 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -71.4 | 2.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | R35 V39 | R35-G37 PolarHBondContact O-N 3.5Å; G37-V39 VanDerWaalsContact C-N 3.29Å |
| 38 | V | 74.5 | Confident | 80.1 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -75 | -25.2 | 169.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L32 R35 P36 P40 | L32-V38 HydrophobicContact CD2-CB 4.26Å; L32-V38 HydrophobicContact CD2-CG1 4.24Å; R35-V38 HydrophobicContact CB-CG2 3.73Å; R35-V38 PolarHBondContact O-N 2.96Å; P36-V38 PolarHBondContact O-N 2.91Å; P36-V38 VanDerWaalsContact O-N 3.1Å; V38-P40 WeakPolarHBondContact O-CD 3.32Å |
| 39 | V | 72.5 | Confident | 80 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -77.9 | 119.3 | 174 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | L32 P36 G37 W43 A47 L50 | L32-V39 HydrophobicContact CD1-CG2 4.19Å; L32-V39 HydrophobicContact CD2-CG2 3.85Å; P36-V39 PolarHBondContact O-N 3.35Å; G37-V39 VanDerWaalsContact C-N 3.29Å; V39-W43 HydrophobicContact CG1-CB 4.19Å; V39-A47 HydrophobicContact CB-CB 3.8Å; V39-A47 HydrophobicContact CG1-CB 4.26Å; V39-A47 HydrophobicContact CG2-CB 3.86Å; V39-L50 HydrophobicContact CG1-CD2 4.39Å; V39-L50 HydrophobicContact CG2-CD2 3.9Å |
| 40 | P | 72.4 | Confident | 79.9 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | trans | -64.7 | 138.8 | -179.9 | -15.2 | 27.9 | 0 | 0 | 0 | 111 | V38 H42 W43 | V38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-H42 WeakPolarHBondContact CB-CE1 3.06Å; P40-H42 VanDerWaalsContact CB-ND1 3.35Å; P40-H42 WeakPolarHBondContact CB-ND1 3.32Å; P40-H42 PolarHBondContact O-N 3.28Å; P40-H42 VanDerWaalsContact O-N 3.11Å; P40-W43 HydrophobicContact CG-CE3 4.16Å; P40-W43 VanDerWaalsContact O-CB 3.24Å; P40-W43 WeakPolarHBondContact O-CB 3.22Å; P40-W43 PolarHBondContact O-N 3.49Å | ||
| 41 | E | 72.7 | Confident | 80 | Confident | 204 Ų | 204 | 77.7 Ų | 77.7 | 95% | 0.953 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.5 | 177.9 | -77.8 | -176.1 | 148.5 | 0 | 0 | 113.4 | W43 | E41-W43 PolarHBondContact O-N 2.86Š|
| 42 | H | 73.2 | Confident | 80.1 | Confident | 158 Ų | 158 | 80.3 Ų | 80.3 | 73% | 0.731 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.6 | 176.7 | 63.9 | -96 | 0 | 0 | 0 | 113.6 | P40 | P40-H42 WeakPolarHBondContact CB-CE1 3.06Å; P40-H42 VanDerWaalsContact CB-ND1 3.35Å; P40-H42 WeakPolarHBondContact CB-ND1 3.32Å; P40-H42 PolarHBondContact O-N 3.28Å; P40-H42 VanDerWaalsContact O-N 3.11Å |
| 43 | W | 74.1 | Confident | 80.2 | Confident | 132 Ų | 132 | 82.5 Ų | 82.5 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -72 | 136.6 | 176.9 | -149.2 | -92.1 | 0 | 0 | 0 | 109.6 | V39 P40 E41 I45 | V39-W43 HydrophobicContact CG1-CB 4.19Å; P40-W43 HydrophobicContact CG-CE3 4.16Å; P40-W43 VanDerWaalsContact O-CB 3.24Å; P40-W43 WeakPolarHBondContact O-CB 3.22Å; P40-W43 PolarHBondContact O-N 3.49Å; E41-W43 PolarHBondContact O-N 2.86Å; W43-I45 PolarHBondContact O-N 2.97Å |
| 44 | P | 78 | Confident | 80.4 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 79% | 0.792 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -63.9 | -10 | -178.6 | 24.5 | -34.9 | 0 | 0 | 0 | 113.9 | ||
| 45 | I | 79.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -119.8 | 123.8 | -175.6 | -55.7 | 171.5 | 0 | 0 | 0 | 107.8 | W43 C49 L50 | W43-I45 PolarHBondContact O-N 2.97Å; I45-C49 HydrophobicContact CG2-CB 3.68Å; I45-L50 HydrophobicContact CG2-CB 4.39Å |
| 46 | S | 80.9 | Confident | 81 | Confident | 79 Ų | 79 | 83.9 Ų | 83.9 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | trans | -56.3 | 145 | 176 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | E48 C49 L50 | S46-E48 PolarHBondContact O-N 3.37Å; S46-E48 VanDerWaalsContact O-N 3.14Å; S46-C49 WeakPolarHBondContact O-CB 3.21Å; S46-C49 PolarHBondContact O-N 3.45Å; S46-L50 PolarHBondContact O-N 2.82Å | ||
| 47 | A | 80.8 | Confident | 81.7 | Confident | 25 Ų | 25 | 83.6 Ų | 83.6 | 21% | 0.207 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -53.8 | -37.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V39 L50 T51 | V39-A47 HydrophobicContact CB-CB 3.8Å; V39-A47 HydrophobicContact CG1-CB 4.26Å; V39-A47 HydrophobicContact CG2-CB 3.86Å; A47-L50 PolarHBondContact O-N 2.95Å; A47-T51 VanDerWaalsContact O-CB 3.32Å; A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 PolarHBondContact O-OG1 2.94Å |
| 48 | E | 82.6 | Confident | 82.3 | Confident | 150 Ų | 150 | 79.9 Ų | 79.9 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 176.7 | -63.5 | 166.8 | 102.5 | 0 | 0 | 112 | S46 T51 N52 | S46-E48 PolarHBondContact O-N 3.37Å; S46-E48 VanDerWaalsContact O-N 3.14Å; E48-T51 PolarHBondContact O-N 3.26Å; E48-N52 VanDerWaalsContact O-CB 3.31Å; E48-N52 WeakPolarHBondContact O-CB 3.44Å; E48-N52 PolarHBondContact O-N 3.2Å; E48-N52 PolarHBondContact O-ND2 2.86Å |
| 49 | C | 86.5 | Confident | 83.1 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 111 | I45 S46 S53 | I45-C49 HydrophobicContact CG2-CB 3.68Å; S46-C49 WeakPolarHBondContact O-CB 3.21Å; S46-C49 PolarHBondContact O-N 3.45Å; C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.12Å; C49-S53 PolarHBondContact O-N 3.43Å; C49-S53 PolarHBondContact O-OG 3.24Å |
| 50 | L | 86.2 | Confident | 84 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.6 | -176.7 | 61.3 | 0 | 0 | 0 | 111.6 | L32 V39 I45 S46 A47 S53 L54 | L32-L50 HydrophobicContact CD1-CD2 3.63Å; L32-L50 HydrophobicContact CD1-CG 3.77Å; V39-L50 HydrophobicContact CG1-CD2 4.39Å; V39-L50 HydrophobicContact CG2-CD2 3.9Å; I45-L50 HydrophobicContact CG2-CB 4.39Å; S46-L50 PolarHBondContact O-N 2.82Å; A47-L50 PolarHBondContact O-N 2.95Å; L50-S53 PolarHBondContact O-N 3.46Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.45Å |
| 51 | T | 88.5 | Confident | 84.7 | Confident | 14 Ų | 14 | 76 Ų | 76 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | F29 L32 A47 E48 S53 L54 F55 | F29-T51 HydrophobicContact CD2-CG2 3.54Å; F29-T51 WeakPolarHBondContact CD2-O 3.45Å; F29-T51 HydrophobicContact CE2-CG2 3.52Å; L32-T51 WeakPolarHBondContact CB-OG1 3.27Å; A47-T51 VanDerWaalsContact O-CB 3.32Å; A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 PolarHBondContact O-OG1 2.94Å; E48-T51 PolarHBondContact O-N 3.26Å; T51-S53 VanDerWaalsContact C-N 3.33Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-L54 PolarHBondContact O-N 3.41Å; T51-F55 WeakPolarHBondContact O-CB 3.31Å; T51-F55 PolarHBondContact O-N 3.38Å |
| 52 | N | 88.6 | Confident | 85.4 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 57% | 0.567 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -37 | 176 | -71.7 | -21.5 | 0 | 0 | 0 | 112.3 | E48 F55 F56 | E48-N52 VanDerWaalsContact O-CB 3.31Å; E48-N52 WeakPolarHBondContact O-CB 3.44Å; E48-N52 PolarHBondContact O-N 3.2Å; E48-N52 PolarHBondContact O-ND2 2.86Å; N52-F55 WeakPolarHBondContact O-CB 3.5Å; N52-F55 PolarHBondContact O-N 2.85Å; N52-F56 WeakPolarHBondContact O-CB 3.3Å; N52-F56 PolarHBondContact O-N 3.3Å |
| 53 | S | 89.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176 | -62 | 0 | 0 | 0 | 0 | 111.7 | C49 L50 T51 F56 N57 | C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.12Å; C49-S53 PolarHBondContact O-N 3.43Å; C49-S53 PolarHBondContact O-OG 3.24Å; L50-S53 PolarHBondContact O-N 3.46Å; T51-S53 VanDerWaalsContact C-N 3.33Å; T51-S53 PolarHBondContact O-N 2.94Å; S53-F56 PolarHBondContact O-N 3.1Å; S53-N57 WeakPolarHBondContact O-CB 2.85Å; S53-N57 PolarHBondContact O-N 2.99Å |
| 54 | L | 89.4 | Confident | 86.8 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 174.9 | -74.3 | 167.1 | 0 | 0 | 0 | 111.9 | L28 F29 L32 L50 T51 N57 S58 | L28-L54 HydrophobicContact CB-CD1 4Å; L28-L54 HydrophobicContact CB-CD2 4.29Å; L28-L54 HydrophobicContact CD1-CD2 4.36Å; F29-L54 HydrophobicContact CB-CB 4.09Å; L32-L54 HydrophobicContact CD1-CD1 3.51Å; L32-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.45Å; T51-L54 PolarHBondContact O-N 3.41Å; L54-N57 PolarHBondContact O-N 3.44Å; L54-S58 VanDerWaalsContact O-CB 3.29Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 3.39Å |
| 55 | F | 89.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 173.6 | -175.8 | -106.4 | 0 | 0 | 0 | 111.2 | F29 T51 N52 S58 A59 S92 V96 | F29-F55 HydrophobicContact CD1-CD2 4.13Å; F29-F55 HydrophobicContact CD2-CB 3.72Å; F29-F55 HydrophobicContact CD2-CD2 4.2Å; F29-F55 HydrophobicContact CD2-CG 4.43Å; F29-F55 AromaticContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CE2 4.26Å; F29-F55 HydrophobicContact CE2-CB 3.72Å; F29-F55 AromaticContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CG 4.07Å; F29-F55 HydrophobicContact CG-CB 4.35Å; F29-F55 HydrophobicContact CG-CD2 4.36Å; F29-F55 HydrophobicContact CZ-CB 4.37Å; F29-F55 AromaticContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CE2 4.2Å; F29-F55 HydrophobicContact CZ-CG 4.26Å; T51-F55 WeakPolarHBondContact O-CB 3.31Å; T51-F55 PolarHBondContact O-N 3.38Å; N52-F55 WeakPolarHBondContact O-CB 3.5Å; N52-F55 PolarHBondContact O-N 2.85Å; F55-S58 WeakPolarHBondContact O-CB 3.49Å; F55-S58 PolarHBondContact O-N 2.91Å; F55-A59 WeakPolarHBondContact O-CB 3.17Å; F55-A59 PolarHBondContact O-N 2.85Å; F55-S92 VanDerWaalsContact CZ-CB 3.48Å; F55-V96 HydrophobicContact CD2-CG2 4.26Å; F55-V96 HydrophobicContact CE2-CG2 3.57Å; F55-V96 HydrophobicContact CZ-CG2 4.15Å |
| 56 | F | 89.8 | Confident | 87.4 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 177.2 | -172.1 | -97.8 | 0 | 0 | 0 | 111.8 | N52 S53 S58 A59 V60 | N52-F56 WeakPolarHBondContact O-CB 3.3Å; N52-F56 PolarHBondContact O-N 3.3Å; S53-F56 PolarHBondContact O-N 3.1Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 2.94Å; F56-A59 PolarHBondContact O-N 3.45Å; F56-V60 HydrophobicContact CD1-CG2 4.03Å; F56-V60 HydrophobicContact CE1-CG2 3.67Å; F56-V60 HydrophobicContact CZ-CG2 4.04Å; F56-V60 WeakPolarHBondContact O-CG2 3.39Å; F56-V60 PolarHBondContact O-N 3.32Å |
| 57 | N | 90 | Very high | 87.6 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.6 | -169.1 | 54 | 0 | 0 | 0 | 112.1 | S25 S53 L54 V60 G61 | S25-N57 PolarHBondContact OG-ND2 3.39Å; S53-N57 WeakPolarHBondContact O-CB 2.85Å; S53-N57 PolarHBondContact O-N 2.99Å; L54-N57 PolarHBondContact O-N 3.44Å; N57-V60 PolarHBondContact O-N 2.87Å; N57-G61 PolarHBondContact O-N 3.08Å |
| 58 | S | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | H26 L54 F55 F56 V60 G61 I62 | H26-S58 VanDerWaalsContact CB-OG 3.32Å; H26-S58 WeakPolarHBondContact CB-OG 3.49Å; H26-S58 PolarHBondContact CD2-OG 2.9Å; H26-S58 VanDerWaalsContact CD2-OG 3.3Å; L54-S58 VanDerWaalsContact O-CB 3.29Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 3.39Å; F55-S58 WeakPolarHBondContact O-CB 3.49Å; F55-S58 PolarHBondContact O-N 2.91Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 2.94Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.38Å; S58-G61 PolarHBondContact O-N 2.93Å; S58-G61 VanDerWaalsContact O-N 3.16Å; S58-I62 WeakPolarHBondContact O-CD1 3.22Å; S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.29Å; S58-I62 PolarHBondContact O-N 2.82Å; S58-I62 WeakPolarHBondContact OG-CD1 3.02Å |
| 59 | A | 91.3 | Very high | 87.4 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F55 F56 G61 I62 G63 T88 | F55-A59 WeakPolarHBondContact O-CB 3.17Å; F55-A59 PolarHBondContact O-N 2.85Å; F56-A59 PolarHBondContact O-N 3.45Å; A59-G61 PolarHBondContact O-N 3.45Å; A59-I62 PolarHBondContact O-N 3.27Å; A59-G63 PolarHBondContact O-N 2.92Å; A59-T88 HydrophobicContact CB-CG2 3.75Å; A59-T88 WeakPolarHBondContact O-CG2 3.04Å |
| 60 | V | 90.2 | Very high | 86.8 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | F56 N57 S58 I62 G63 F64 | F56-V60 HydrophobicContact CD1-CG2 4.03Å; F56-V60 HydrophobicContact CE1-CG2 3.67Å; F56-V60 HydrophobicContact CZ-CG2 4.04Å; F56-V60 WeakPolarHBondContact O-CG2 3.39Å; F56-V60 PolarHBondContact O-N 3.32Å; N57-V60 PolarHBondContact O-N 2.87Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.38Å; V60-I62 PolarHBondContact O-N 3.49Å; V60-G63 PolarHBondContact O-N 3.25Å; V60-F64 HydrophobicContact CG1-CD2 3.73Å; V60-F64 HydrophobicContact CG1-CE2 3.91Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 WeakPolarHBondContact O-CD2 3.26Å; V60-F64 PolarHBondContact O-N 2.9Å |
| 61 | G | 87.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N57 S58 A59 Y65 | N57-G61 PolarHBondContact O-N 3.08Å; S58-G61 PolarHBondContact O-N 2.93Å; S58-G61 VanDerWaalsContact O-N 3.16Å; A59-G61 PolarHBondContact O-N 3.45Å; G61-Y65 PolarHBondContact O-N 2.89Å |
| 62 | I | 88.5 | Confident | 85.3 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 176.2 | -63.8 | 156 | 0 | 0 | 0 | 110.7 | S58 A59 V60 F64 Y65 L66 T88 F91 | S58-I62 WeakPolarHBondContact O-CD1 3.22Å; S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.29Å; S58-I62 PolarHBondContact O-N 2.82Å; S58-I62 WeakPolarHBondContact OG-CD1 3.02Å; A59-I62 PolarHBondContact O-N 3.27Å; V60-I62 PolarHBondContact O-N 3.49Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 2.84Å; I62-Y65 WeakPolarHBondContact O-CA 3.38Å; I62-Y65 VanDerWaalsContact O-CB 3.31Å; I62-Y65 WeakPolarHBondContact O-CB 3.26Å; I62-Y65 PolarHBondContact O-N 3.4Å; I62-Y65 VanDerWaalsContact O-N 3.1Å; I62-L66 HydrophobicContact CG2-CD1 4.04Å; I62-L66 HydrophobicContact CG2-CG 4.29Å; I62-L66 WeakPolarHBondContact O-CG 3.26Å; I62-L66 PolarHBondContact O-N 3.37Å; I62-T88 HydrophobicContact CB-CG2 4.43Å; I62-T88 HydrophobicContact CG2-CG2 4.49Å; I62-F91 HydrophobicContact CD1-CD1 3.3Å; I62-F91 HydrophobicContact CD1-CE1 3.51Å; I62-F91 HydrophobicContact CD1-CG 4.23Å; I62-F91 HydrophobicContact CG1-CD1 4.35Å; I62-F91 HydrophobicContact CG1-CE1 4.46Å |
| 63 | G | 88.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 V60 Y65 L66 Y67 T88 | A59-G63 PolarHBondContact O-N 2.92Å; V60-G63 PolarHBondContact O-N 3.25Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-L66 PolarHBondContact O-N 2.87Å; G63-Y67 WeakPolarHBondContact O-CB 3.31Å; G63-Y67 PolarHBondContact O-N 2.65Å; G63-T88 WeakPolarHBondContact CA-OG1 3.42Å; G63-T88 PolarHBondContact N-OG1 3.5Å |
| 64 | F | 87 | Confident | 83.8 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 172.8 | -94 | -82.3 | 0 | 0 | 0 | 112.8 | I18 V60 I62 N68 | I18-F64 HydrophobicContact CG2-CB 3.77Å; I18-F64 HydrophobicContact CG2-CD2 4.34Å; I18-F64 HydrophobicContact CG2-CG 4.14Å; V60-F64 HydrophobicContact CG1-CD2 3.73Å; V60-F64 HydrophobicContact CG1-CE2 3.91Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 WeakPolarHBondContact O-CD2 3.26Å; V60-F64 PolarHBondContact O-N 2.9Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 2.84Å; F64-N68 WeakPolarHBondContact O-CB 3.48Å; F64-N68 PolarHBondContact O-N 2.86Å; F64-N68 VanDerWaalsContact O-N 3.17Å; F64-N68 PolarHBondContact O-ND2 3.45Å |
| 65 | Y | 84.6 | Confident | 83.3 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -53.8 | 173.9 | 179.6 | -103.4 | 0 | 0 | 0 | 111 | P19 G61 I62 G63 N68 F131 D132 | P19-Y65 HydrophobicContact CB-CD2 3.83Å; P19-Y65 HydrophobicContact CB-CG 4.27Å; P19-Y65 HydrophobicContact CG-CD2 3.84Å; P19-Y65 HydrophobicContact CG-CG 4.32Å; G61-Y65 PolarHBondContact O-N 2.89Å; I62-Y65 WeakPolarHBondContact O-CA 3.38Å; I62-Y65 VanDerWaalsContact O-CB 3.31Å; I62-Y65 WeakPolarHBondContact O-CB 3.26Å; I62-Y65 PolarHBondContact O-N 3.4Å; I62-Y65 VanDerWaalsContact O-N 3.1Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; Y65-N68 PolarHBondContact O-N 3.31Å; Y65-F131 HydrophobicContact CE1-CB 4.26Å; Y65-F131 HydrophobicContact CE1-CD2 4.37Å; Y65-D132 PolarHBondContact OH-OD1 3.22Å |
| 66 | L | 86.2 | Confident | 83.1 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 179.7 | -65.8 | 178.7 | 0 | 0 | 0 | 111 | I62 G63 N68 M69 M72 A84 F131 | I62-L66 HydrophobicContact CG2-CD1 4.04Å; I62-L66 HydrophobicContact CG2-CG 4.29Å; I62-L66 WeakPolarHBondContact O-CG 3.26Å; I62-L66 PolarHBondContact O-N 3.37Å; G63-L66 PolarHBondContact O-N 2.87Å; L66-N68 PolarHBondContact O-N 3.44Å; L66-N68 VanDerWaalsContact O-N 3.15Å; L66-M69 HydrophobicContact CD2-SD 3.92Å; L66-M69 VanDerWaalsContact O-CB 3.28Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 VanDerWaalsContact O-CG 3.27Å; L66-M69 WeakPolarHBondContact O-CG 3.1Å; L66-M69 PolarHBondContact O-N 3.47Å; L66-M72 HydrophobicContact CB-CE 4.4Å; L66-M72 WeakPolarHBondContact O-CE 3.28Å; L66-A84 HydrophobicContact CB-CB 4.04Å; L66-F131 HydrophobicContact CD1-CZ 4.5Å; L66-F131 HydrophobicContact CD2-CD1 3.89Å; L66-F131 HydrophobicContact CD2-CD2 3.72Å; L66-F131 HydrophobicContact CD2-CE1 3.58Å; L66-F131 HydrophobicContact CD2-CE2 3.44Å; L66-F131 VanDerWaalsContact CD2-CE2 3.44Å; L66-F131 HydrophobicContact CD2-CG 3.98Å; L66-F131 HydrophobicContact CD2-CZ 3.36Å |
| 67 | Y | 84 | Confident | 82.9 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.9 | -36.1 | 179.3 | -173.8 | -95.1 | 0 | 0 | 0 | 112.4 | G63 M69 K80 T81 A84 | G63-Y67 WeakPolarHBondContact O-CB 3.31Å; G63-Y67 PolarHBondContact O-N 2.65Å; Y67-M69 VanDerWaalsContact C-N 3.29Å; Y67-M69 PolarHBondContact O-N 3.02Å; Y67-K80 VanDerWaalsContact CD1-CE 3.44Å; Y67-K80 HydrophobicContact CD2-CB 4.49Å; Y67-K80 HydrophobicContact CD2-CD 4.22Å; Y67-K80 VanDerWaalsContact CD2-CE 3.41Å; Y67-K80 HydrophobicContact CD2-CG 3.77Å; Y67-K80 HydrophobicContact CE2-CB 4.23Å; Y67-K80 HydrophobicContact CE2-CD 4.12Å; Y67-K80 HydrophobicContact CE2-CG 3.85Å; Y67-K80 HydrophobicContact CG-CG 4.42Å; Y67-K80 WeakPolarHBondContact O-CD 3.43Å; Y67-K80 WeakPolarHBondContact O-CE 3.5Å; Y67-K80 PolarHBondContact O-NZ 3.38Å; Y67-T81 WeakPolarHBondContact CE2-OG1 3.37Å; Y67-A84 HydrophobicContact CD2-CB 4.45Å |
| 68 | N | 80.5 | Confident | 82.8 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 6.4 | -179.3 | -74.1 | -52.2 | 0 | 0 | 0 | 114.9 | F64 Y65 L66 | F64-N68 WeakPolarHBondContact O-CB 3.48Å; F64-N68 PolarHBondContact O-N 2.86Å; F64-N68 VanDerWaalsContact O-N 3.17Å; F64-N68 PolarHBondContact O-ND2 3.45Å; Y65-N68 PolarHBondContact O-N 3.31Å; L66-N68 PolarHBondContact O-N 3.44Å; L66-N68 VanDerWaalsContact O-N 3.15Å |
| 69 | M | 79.9 | Confident | 82.6 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.059 | 31% | 0.307 | C | S | . | . | trans | -63.2 | 141.7 | 176.5 | -72 | -172.7 | 79 | 0 | 0 | 112.6 | L66 Y67 H71 M72 F131 N135 | L66-M69 HydrophobicContact CD2-SD 3.92Å; L66-M69 VanDerWaalsContact O-CB 3.28Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 VanDerWaalsContact O-CG 3.27Å; L66-M69 WeakPolarHBondContact O-CG 3.1Å; L66-M69 PolarHBondContact O-N 3.47Å; Y67-M69 VanDerWaalsContact C-N 3.29Å; Y67-M69 PolarHBondContact O-N 3.02Å; M69-H71 WeakPolarHBondContact CE-CE1 3.46Å; M69-H71 WeakPolarHBondContact CE-ND1 3.37Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; M69-M72 HydrophobicContact CB-CE 4.32Å; M69-M72 HydrophobicContact CB-CG 4.45Å; M69-M72 PolarHBondContact O-N 3.12Å; M69-F131 HydrophobicContact CE-CB 3.48Å; M69-F131 VanDerWaalsContact CE-CB 3.48Å; M69-F131 HydrophobicContact CE-CD1 3.7Å; M69-F131 HydrophobicContact CE-CG 3.96Å; M69-F131 WeakPolarHBondContact CE-O 3.36Å; M69-F131 HydrophobicContact SD-CB 3.98Å; M69-F131 HydrophobicContact SD-CD1 3.54Å; M69-F131 VanDerWaalsContact SD-CD1 3.54Å; M69-F131 HydrophobicContact SD-CE1 4.3Å; M69-F131 HydrophobicContact SD-CG 3.9Å; M69-N135 HydrophobicContact CE-CB 4.21Å | ||
| 70 | E | 73.8 | Confident | 82.4 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -76 | -34.6 | -169.3 | 176.4 | 151.3 | -116.5 | 0 | 0 | 113.1 | M72 K73 N135 | E70-M72 PolarHBondContact O-N 3.43Å; E70-K73 HydrophobicContact CB-CD 4.43Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 2.79Å; E70-K73 IonicContact OE1-NZ 2.75Å; E70-K73 PolarHBondContact OE1-NZ 2.81Å; E70-N135 WeakPolarHBondContact CA-OD1 3.45Å; E70-N135 VanDerWaalsContact CB-OD1 3.29Å; E70-N135 WeakPolarHBondContact CB-OD1 3.26Å; E70-N135 PolarHBondContact N-OD1 2.67Å |
| 71 | H | 72.2 | Confident | 82.2 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.4 | 171.1 | 74.3 | -93.8 | 0 | 0 | 0 | 112.6 | M69 N135 | M69-H71 WeakPolarHBondContact CE-CE1 3.46Å; M69-H71 WeakPolarHBondContact CE-ND1 3.37Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; H71-N135 PolarHBondContact N-OD1 3.42Å |
| 72 | M | 69.4 | Low | 82.4 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.9 | 179.1 | -60.5 | -148.1 | -87.9 | 0 | 0 | 114.7 | L66 M69 E70 H74 M75 K80 F83 | L66-M72 HydrophobicContact CB-CE 4.4Å; L66-M72 WeakPolarHBondContact O-CE 3.28Å; M69-M72 HydrophobicContact CB-CE 4.32Å; M69-M72 HydrophobicContact CB-CG 4.45Å; M69-M72 PolarHBondContact O-N 3.12Å; E70-M72 PolarHBondContact O-N 3.43Å; M72-H74 PolarHBondContact O-N 3.29Å; M72-M75 HydrophobicContact CB-CE 3.61Å; M72-M75 HydrophobicContact CG-CE 3.36Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M72-M75 HydrophobicContact SD-CE 3.48Å; M72-M75 WeakPolarHBondContact SD-CE 3.33Å; M72-K80 HydrophobicContact CB-CD 3.8Å; M72-K80 HydrophobicContact CB-CG 3.87Å; M72-K80 HydrophobicContact CE-CG 4.49Å; M72-K80 WeakPolarHBondContact O-CD 3.36Å; M72-K80 HydrophobicContact SD-CG 4.27Å; M72-F83 HydrophobicContact SD-CB 3.85Å |
| 73 | K | 72.8 | Confident | 82.4 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 48% | 0.478 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.3 | -175.2 | -75.7 | 175.9 | -176.6 | 171.1 | 0 | 114.2 | E70 | E70-K73 HydrophobicContact CB-CD 4.43Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 2.79Å; E70-K73 IonicContact OE1-NZ 2.75Å; E70-K73 PolarHBondContact OE1-NZ 2.81Å |
| 74 | H | 75.2 | Confident | 82.4 | Confident | 142 Ų | 142 | 72.3 Ų | 72.3 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10 | -178.3 | -61.1 | 86.6 | 0 | 0 | 0 | 113.1 | M72 R142 | M72-H74 PolarHBondContact O-N 3.29Å; H74-R142 PolarHBondContact CE1-NH1 2.76Å; H74-R142 PolarHBondContact ND1-NH1 3.27Å |
| 75 | M | 78.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 72 Ų | 72 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -78 | 148.7 | 178.8 | -72.6 | -163.5 | -73 | 0 | 0 | 111.2 | M72 V77 F83 | M72-M75 HydrophobicContact CB-CE 3.61Å; M72-M75 HydrophobicContact CG-CE 3.36Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M72-M75 HydrophobicContact SD-CE 3.48Å; M72-M75 WeakPolarHBondContact SD-CE 3.33Å; M75-V77 PolarHBondContact O-N 3.46Å; M75-F83 HydrophobicContact CE-CD2 3.69Å; M75-F83 HydrophobicContact CE-CE2 4.05Å; M75-F83 HydrophobicContact SD-CD2 3.94Å; M75-F83 HydrophobicContact SD-CE2 3.69Å |
| 76 | P | 85.6 | Confident | 83 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | trans | -57.7 | 141.4 | 172.3 | 23 | -31.6 | 0 | 0 | 0 | 110.3 | I78 R79 K80 | P76-I78 PolarHBondContact O-N 3.24Å; P76-I78 VanDerWaalsContact O-N 3.08Å; P76-R79 HydrophobicContact CG-CB 4.15Å; P76-R79 HydrophobicContact CG-CG 3.99Å; P76-R79 PolarHBondContact O-N 3.44Å; P76-K80 PolarHBondContact O-N 2.9Å | ||
| 77 | V | 85.4 | Confident | 83.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -49 | -42.8 | -172.9 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | M75 R79 K80 T81 | M75-V77 PolarHBondContact O-N 3.46Å; V77-R79 PolarHBondContact O-N 3.16Å; V77-K80 PolarHBondContact O-N 2.68Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.4Å; V77-T81 VanDerWaalsContact O-OG1 3.08Å |
| 78 | I | 87.2 | Confident | 83.6 | Confident | 122 Ų | 122 | 74.5 Ų | 74.5 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.2 | -47.7 | 179.5 | -64.4 | 164.8 | 0 | 0 | 0 | 111.5 | P76 T81 M82 | P76-I78 PolarHBondContact O-N 3.24Å; P76-I78 VanDerWaalsContact O-N 3.08Å; I78-T81 PolarHBondContact O-N 2.93Å; I78-M82 HydrophobicContact CG2-CE 3.75Å; I78-M82 HydrophobicContact CG2-SD 4.13Å; I78-M82 VanDerWaalsContact O-CG 3.31Å; I78-M82 WeakPolarHBondContact O-CG 3.25Å; I78-M82 PolarHBondContact O-N 3.49Å |
| 79 | R | 86.3 | Confident | 84.2 | Confident | 157 Ų | 157 | 73.5 Ų | 73.5 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 178.3 | -73.2 | -172.2 | -178.1 | -170.4 | 0 | 111.3 | P76 V77 T81 M82 F83 | P76-R79 HydrophobicContact CG-CB 4.15Å; P76-R79 HydrophobicContact CG-CG 3.99Å; P76-R79 PolarHBondContact O-N 3.44Å; V77-R79 PolarHBondContact O-N 3.16Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.43Å; R79-M82 PolarHBondContact O-N 2.99Å; R79-F83 HydrophobicContact CB-CD2 4.43Å; R79-F83 HydrophobicContact CB-CE2 4.23Å; R79-F83 WeakPolarHBondContact O-CD2 3.31Å; R79-F83 PolarHBondContact O-N 2.83Å |
| 80 | K | 86.3 | Confident | 84.8 | Confident | 23 Ų | 23 | 77.5 Ų | 77.5 | 10% | 0.1 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.3 | -173.4 | 167.3 | 106 | 156.3 | 0 | 111.7 | Y67 M72 P76 V77 A84 | Y67-K80 VanDerWaalsContact CD1-CE 3.44Å; Y67-K80 HydrophobicContact CD2-CB 4.49Å; Y67-K80 HydrophobicContact CD2-CD 4.22Å; Y67-K80 VanDerWaalsContact CD2-CE 3.41Å; Y67-K80 HydrophobicContact CD2-CG 3.77Å; Y67-K80 HydrophobicContact CE2-CB 4.23Å; Y67-K80 HydrophobicContact CE2-CD 4.12Å; Y67-K80 HydrophobicContact CE2-CG 3.85Å; Y67-K80 HydrophobicContact CG-CG 4.42Å; Y67-K80 WeakPolarHBondContact O-CD 3.43Å; Y67-K80 WeakPolarHBondContact O-CE 3.5Å; Y67-K80 PolarHBondContact O-NZ 3.38Å; M72-K80 HydrophobicContact CB-CD 3.8Å; M72-K80 HydrophobicContact CB-CG 3.87Å; M72-K80 HydrophobicContact CE-CG 4.49Å; M72-K80 WeakPolarHBondContact O-CD 3.36Å; M72-K80 HydrophobicContact SD-CG 4.27Å; P76-K80 PolarHBondContact O-N 2.9Å; V77-K80 PolarHBondContact O-N 2.68Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.34Å; K80-A84 PolarHBondContact O-N 2.81Å |
| 81 | T | 87.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Y67 V77 I78 R79 F83 A84 T85 | Y67-T81 WeakPolarHBondContact CE2-OG1 3.37Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.4Å; V77-T81 VanDerWaalsContact O-OG1 3.08Å; I78-T81 PolarHBondContact O-N 2.93Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.43Å; T81-F83 PolarHBondContact O-N 3.34Å; T81-A84 PolarHBondContact O-N 3.41Å; T81-T85 WeakPolarHBondContact O-CB 3.43Å; T81-T85 PolarHBondContact O-N 3.43Å; T81-T85 PolarHBondContact O-OG1 2.89Å |
| 82 | M | 90.1 | Very high | 86.5 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 61% | 0.606 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.5 | -46.6 | 177.9 | -74 | 174.2 | 172.9 | 0 | 0 | 112.3 | I78 R79 T85 Y86 | I78-M82 HydrophobicContact CG2-CE 3.75Å; I78-M82 HydrophobicContact CG2-SD 4.13Å; I78-M82 VanDerWaalsContact O-CG 3.31Å; I78-M82 WeakPolarHBondContact O-CG 3.25Å; I78-M82 PolarHBondContact O-N 3.49Å; R79-M82 PolarHBondContact O-N 2.99Å; M82-T85 PolarHBondContact O-N 2.85Å; M82-Y86 VanDerWaalsContact O-CB 3.26Å; M82-Y86 WeakPolarHBondContact O-CB 3.17Å; M82-Y86 PolarHBondContact O-N 3.19Å |
| 83 | F | 88.2 | Confident | 87.6 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.7 | -70 | -54.4 | 0 | 0 | 0 | 112.6 | M72 M75 R79 T81 Y86 G87 | M72-F83 HydrophobicContact SD-CB 3.85Å; M75-F83 HydrophobicContact CE-CD2 3.69Å; M75-F83 HydrophobicContact CE-CE2 4.05Å; M75-F83 HydrophobicContact SD-CD2 3.94Å; M75-F83 HydrophobicContact SD-CE2 3.69Å; R79-F83 HydrophobicContact CB-CD2 4.43Å; R79-F83 HydrophobicContact CB-CE2 4.23Å; R79-F83 WeakPolarHBondContact O-CD2 3.31Å; R79-F83 PolarHBondContact O-N 2.83Å; T81-F83 PolarHBondContact O-N 3.34Å; F83-Y86 PolarHBondContact O-N 2.91Å; F83-G87 PolarHBondContact O-N 2.86Å |
| 84 | A | 89.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 4% | 0.041 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L66 Y67 K80 T81 T88 | L66-A84 HydrophobicContact CB-CB 4.04Å; Y67-A84 HydrophobicContact CD2-CB 4.45Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.34Å; K80-A84 PolarHBondContact O-N 2.81Å; T81-A84 PolarHBondContact O-N 3.41Å; A84-T88 VanDerWaalsContact O-CB 3.26Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.4Å; A84-T88 PolarHBondContact O-OG1 2.92Å |
| 85 | T | 91.4 | Very high | 89.3 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 53% | 0.534 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | T81 M82 T88 A89 | T81-T85 WeakPolarHBondContact O-CB 3.43Å; T81-T85 PolarHBondContact O-N 3.43Å; T81-T85 PolarHBondContact O-OG1 2.89Å; M82-T85 PolarHBondContact O-N 2.85Å; T85-T88 PolarHBondContact O-N 2.86Å; T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.46Å |
| 86 | Y | 92.1 | Very high | 89.9 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.5 | -50 | 177.8 | 179.6 | -105.4 | 0 | 0 | 0 | 111.9 | M82 F83 T88 A89 L90 | M82-Y86 VanDerWaalsContact O-CB 3.26Å; M82-Y86 WeakPolarHBondContact O-CB 3.17Å; M82-Y86 PolarHBondContact O-N 3.19Å; F83-Y86 PolarHBondContact O-N 2.91Å; Y86-T88 VanDerWaalsContact C-N 3.3Å; Y86-T88 PolarHBondContact O-N 3.43Å; Y86-A89 PolarHBondContact O-N 3.41Å; Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 3.25Å; Y86-L90 HydrophobicContact CE1-CG 4.04Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CG 4.26Å; Y86-L90 WeakPolarHBondContact O-CB 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.39Å; Y86-L90 PolarHBondContact O-N 3.41Å |
| 87 | G | 90.9 | Very high | 90.2 | Very high | 15 Ų | 15 | 71.1 Ų | 71.1 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F83 F91 | F83-G87 PolarHBondContact O-N 2.86Å; G87-F91 WeakPolarHBondContact O-CB 3.45Å; G87-F91 PolarHBondContact O-N 2.88Å |
| 88 | T | 92.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 69.7 Ų | 69.7 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 174 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | A59 I62 G63 A84 T85 Y86 F91 S92 | A59-T88 HydrophobicContact CB-CG2 3.75Å; A59-T88 WeakPolarHBondContact O-CG2 3.04Å; I62-T88 HydrophobicContact CB-CG2 4.43Å; I62-T88 HydrophobicContact CG2-CG2 4.49Å; G63-T88 WeakPolarHBondContact CA-OG1 3.42Å; G63-T88 PolarHBondContact N-OG1 3.5Å; A84-T88 VanDerWaalsContact O-CB 3.26Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.4Å; A84-T88 PolarHBondContact O-OG1 2.92Å; T85-T88 PolarHBondContact O-N 2.86Å; Y86-T88 VanDerWaalsContact C-N 3.3Å; Y86-T88 PolarHBondContact O-N 3.43Å; T88-F91 PolarHBondContact O-N 3.42Å; T88-S92 VanDerWaalsContact O-CB 3.25Å; T88-S92 WeakPolarHBondContact O-CB 3.25Å; T88-S92 PolarHBondContact O-N 3.17Å; T88-S92 PolarHBondContact O-OG 3Å |
| 89 | A | 93.2 | Very high | 90.6 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T85 Y86 F91 S92 F93 | T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.46Å; Y86-A89 PolarHBondContact O-N 3.41Å; A89-F91 PolarHBondContact O-N 3.01Å; A89-S92 PolarHBondContact O-N 3.43Å; A89-F93 HydrophobicContact CB-CD2 4.16Å; A89-F93 HydrophobicContact CB-CE2 4.21Å; A89-F93 WeakPolarHBondContact O-CB 3.46Å; A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 2.8Å |
| 90 | L | 92.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 175.6 | -78.5 | -178.6 | 0 | 0 | 0 | 111.9 | Y86 G94 | Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 3.25Å; Y86-L90 HydrophobicContact CE1-CG 4.04Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CG 4.26Å; Y86-L90 WeakPolarHBondContact O-CB 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.39Å; Y86-L90 PolarHBondContact O-N 3.41Å; L90-G94 WeakPolarHBondContact O-CA 3.47Å; L90-G94 PolarHBondContact O-N 3.43Å |
| 91 | F | 90.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 178.3 | -173.8 | -84.6 | 0 | 0 | 0 | 111.4 | H26 I62 G87 T88 A89 G94 S95 L123 I124 | H26-F91 AromaticContact CD2-CE1 3.79Å; H26-F91 AromaticContact CE1-CE1 3.9Å; H26-F91 AromaticContact NE2-CE1 3.52Å; I62-F91 HydrophobicContact CD1-CD1 3.3Å; I62-F91 HydrophobicContact CD1-CE1 3.51Å; I62-F91 HydrophobicContact CD1-CG 4.23Å; I62-F91 HydrophobicContact CG1-CD1 4.35Å; I62-F91 HydrophobicContact CG1-CE1 4.46Å; G87-F91 WeakPolarHBondContact O-CB 3.45Å; G87-F91 PolarHBondContact O-N 2.88Å; T88-F91 PolarHBondContact O-N 3.42Å; A89-F91 PolarHBondContact O-N 3.01Å; F91-G94 PolarHBondContact O-N 2.84Å; F91-S95 WeakPolarHBondContact O-CB 3.32Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 2.87Å; F91-L123 HydrophobicContact CE2-CB 3.99Å; F91-L123 HydrophobicContact CZ-CB 4.02Å; F91-I124 HydrophobicContact CZ-CG1 3.89Å |
| 92 | S | 91.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.5 | -46.4 | -173.4 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | F55 T88 A89 V96 | F55-S92 VanDerWaalsContact CZ-CB 3.48Å; T88-S92 VanDerWaalsContact O-CB 3.25Å; T88-S92 WeakPolarHBondContact O-CB 3.25Å; T88-S92 PolarHBondContact O-N 3.17Å; T88-S92 PolarHBondContact O-OG 3Å; A89-S92 PolarHBondContact O-N 3.43Å; S92-V96 WeakPolarHBondContact O-CG2 3.45Å; S92-V96 PolarHBondContact O-N 3.21Å; S92-V96 VanDerWaalsContact O-N 3.15Å |
| 93 | F | 91.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -72.6 | -33.8 | 176 | -67.2 | -59 | 0 | 0 | 0 | 112.4 | A89 V96 F97 | A89-F93 HydrophobicContact CB-CD2 4.16Å; A89-F93 HydrophobicContact CB-CE2 4.21Å; A89-F93 WeakPolarHBondContact O-CB 3.46Å; A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 2.8Å; F93-V96 PolarHBondContact O-N 3.39Å; F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 PolarHBondContact O-N 2.88Å |
| 94 | G | 92 | Very high | 91.1 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L90 F91 F97 L98 | L90-G94 WeakPolarHBondContact O-CA 3.47Å; L90-G94 PolarHBondContact O-N 3.43Å; F91-G94 PolarHBondContact O-N 2.84Å; G94-F97 PolarHBondContact O-N 3.46Å; G94-L98 WeakPolarHBondContact O-CB 3.49Å; G94-L98 PolarHBondContact O-N 2.95Å |
| 95 | S | 91.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174 | -65 | 0 | 0 | 0 | 0 | 112.4 | H26 F91 F97 L98 F99 L123 | H26-S95 PolarHBondContact CE1-OG 3.24Å; H26-S95 WeakPolarHBondContact NE2-CB 3.45Å; H26-S95 PolarHBondContact NE2-OG 3.27Å; F91-S95 WeakPolarHBondContact O-CB 3.32Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 2.87Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.89Å; S95-L98 PolarHBondContact O-N 2.89Å; S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CG 3.17Å; S95-F99 PolarHBondContact O-N 3.34Å; S95-L123 WeakPolarHBondContact OG-CD1 3.45Å |
| 96 | V | 91.2 | Very high | 90.9 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | F29 F55 S92 F93 F99 G100 | F29-V96 HydrophobicContact CE1-CG2 3.9Å; F29-V96 HydrophobicContact CZ-CG2 3.76Å; F55-V96 HydrophobicContact CD2-CG2 4.26Å; F55-V96 HydrophobicContact CE2-CG2 3.57Å; F55-V96 HydrophobicContact CZ-CG2 4.15Å; S92-V96 WeakPolarHBondContact O-CG2 3.45Å; S92-V96 PolarHBondContact O-N 3.21Å; S92-V96 VanDerWaalsContact O-N 3.15Å; F93-V96 PolarHBondContact O-N 3.39Å; V96-F99 PolarHBondContact O-N 2.85Å; V96-G100 PolarHBondContact O-N 2.94Å |
| 97 | F | 92.3 | Very high | 90.5 | Very high | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.671 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 174.7 | 177 | -97.3 | 0 | 0 | 0 | 110.9 | F93 G94 S95 F99 G100 S101 | F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 PolarHBondContact O-N 2.88Å; G94-F97 PolarHBondContact O-N 3.46Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.89Å; F97-F99 PolarHBondContact O-N 2.85Å; F97-G100 WeakPolarHBondContact O-CA 3.49Å; F97-G100 PolarHBondContact O-N 2.94Å; F97-G100 VanDerWaalsContact O-N 3.13Å; F97-S101 PolarHBondContact O-N 3.4Å; F97-S101 PolarHBondContact O-OG 3.3Å; F97-S101 VanDerWaalsContact O-OG 3.08Å |
| 98 | L | 90.7 | Very high | 90.3 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 32% | 0.319 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 178.3 | -171.2 | 64.7 | 0 | 0 | 0 | 112.1 | G94 S95 S101 I102 A119 L123 | G94-L98 WeakPolarHBondContact O-CB 3.49Å; G94-L98 PolarHBondContact O-N 2.95Å; S95-L98 PolarHBondContact O-N 2.89Å; L98-S101 PolarHBondContact O-N 2.69Å; L98-I102 HydrophobicContact CG-CD1 4.2Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.36Å; L98-A119 HydrophobicContact CD2-CB 3.72Å; L98-A119 HydrophobicContact CG-CB 4.38Å; L98-L123 HydrophobicContact CD2-CD1 3.65Å; L98-L123 HydrophobicContact CD2-CD2 4.49Å; L98-L123 HydrophobicContact CD2-CG 4.08Å |
| 99 | F | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 173.6 | -63.6 | -23.8 | 0 | 0 | 0 | 111.9 | H26 F29 Y33 M34 S95 V96 F97 S101 I102 K103 A116 A119 | H26-F99 AromaticContact CE1-CZ 3.93Å; F29-F99 HydrophobicContact CD1-CD2 4.35Å; F29-F99 AromaticContact CD1-CE2 3.85Å; F29-F99 HydrophobicContact CD1-CE2 3.85Å; F29-F99 AromaticContact CE1-CD2 3.86Å; F29-F99 HydrophobicContact CE1-CD2 3.86Å; F29-F99 AromaticContact CE1-CE2 3.79Å; F29-F99 HydrophobicContact CE1-CE2 3.79Å; Y33-F99 HydrophobicContact CD1-CB 3.84Å; Y33-F99 HydrophobicContact CD1-CD2 4.49Å; Y33-F99 HydrophobicContact CE1-CB 3.85Å; M34-F99 HydrophobicContact CE-CB 3.64Å; M34-F99 HydrophobicContact CE-CD1 4.1Å; M34-F99 HydrophobicContact CE-CG 4.1Å; M34-F99 VanDerWaalsContact CE-O 3.28Å; M34-F99 WeakPolarHBondContact CE-O 3.41Å; S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CG 3.17Å; S95-F99 PolarHBondContact O-N 3.34Å; V96-F99 PolarHBondContact O-N 2.85Å; F97-F99 PolarHBondContact O-N 2.85Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 3.21Å; F99-I102 HydrophobicContact CD1-CD1 4.39Å; F99-I102 PolarHBondContact O-N 2.91Å; F99-K103 VanDerWaalsContact O-CB 3.29Å; F99-K103 WeakPolarHBondContact O-CB 3.28Å; F99-K103 PolarHBondContact O-N 2.77Å; F99-A116 HydrophobicContact CD1-CB 4.24Å; F99-A116 HydrophobicContact CE1-CB 4.22Å; F99-A116 WeakPolarHBondContact CE1-O 3.37Å; F99-A119 HydrophobicContact CE1-CB 4.31Å |
| 100 | G | 91.2 | Very high | 89.6 | Confident | 20 Ų | 20 | 67 Ų | 67 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.3 | -47.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | V96 F97 K103 M104 | V96-G100 PolarHBondContact O-N 2.94Å; F97-G100 WeakPolarHBondContact O-CA 3.49Å; F97-G100 PolarHBondContact O-N 2.94Å; F97-G100 VanDerWaalsContact O-N 3.13Å; G100-K103 PolarHBondContact O-N 2.89Å; G100-M104 WeakPolarHBondContact O-CG 3.42Å; G100-M104 PolarHBondContact O-N 3.39Å |
| 101 | S | 91.5 | Very high | 89.4 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 112.6 | F97 L98 F99 K103 M104 A105 | F97-S101 PolarHBondContact O-N 3.4Å; F97-S101 PolarHBondContact O-OG 3.3Å; F97-S101 VanDerWaalsContact O-OG 3.08Å; L98-S101 PolarHBondContact O-N 2.69Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 3.21Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 3.46Å; S101-M104 PolarHBondContact O-N 3.09Å; S101-A105 VanDerWaalsContact O-CB 3.31Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 2.92Å |
| 102 | I | 90.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.2 | -69.5 | 164.5 | 0 | 0 | 0 | 110.5 | M34 L98 F99 M104 A105 T106 R112 A115 A119 | M34-I102 HydrophobicContact CE-CB 3.95Å; M34-I102 HydrophobicContact CE-CG2 3.84Å; L98-I102 HydrophobicContact CG-CD1 4.2Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.36Å; F99-I102 HydrophobicContact CD1-CD1 4.39Å; F99-I102 PolarHBondContact O-N 2.91Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.39Å; I102-A105 PolarHBondContact O-N 3.33Å; I102-T106 PolarHBondContact O-N 3.29Å; I102-R112 HydrophobicContact CG2-CG 4.29Å; I102-A115 HydrophobicContact CD1-CB 4.31Å; I102-A115 HydrophobicContact CG1-CB 4.48Å; I102-A115 HydrophobicContact CG2-CB 3.62Å; I102-A119 HydrophobicContact CD1-CB 3.68Å |
| 103 | K | 87.2 | Confident | 89.1 | Confident | 100 Ų | 100 | 68.2 Ų | 68.2 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 178.1 | -176.9 | 175.9 | 179.1 | -179.8 | 0 | 112.1 | M34 F99 G100 S101 | M34-K103 HydrophobicContact SD-CB 4.07Å; F99-K103 VanDerWaalsContact O-CB 3.29Å; F99-K103 WeakPolarHBondContact O-CB 3.28Å; F99-K103 PolarHBondContact O-N 2.77Å; G100-K103 PolarHBondContact O-N 2.89Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 3.46Å |
| 104 | M | 89.9 | Confident | 89 | Confident | 171 Ų | 171 | 63.9 Ų | 63.9 | 84% | 0.842 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -77.1 | -28.6 | 175.5 | -70 | -178.5 | 69.7 | 0 | 0 | 113.2 | G100 S101 I102 | G100-M104 WeakPolarHBondContact O-CG 3.42Å; G100-M104 PolarHBondContact O-N 3.39Å; S101-M104 PolarHBondContact O-N 3.09Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.39Å |
| 105 | A | 90 | Very high | 88.9 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 72% | 0.719 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.9 | -17 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S101 I102 | S101-A105 VanDerWaalsContact O-CB 3.31Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 2.92Å; I102-A105 PolarHBondContact O-N 3.33Å |
| 106 | T | 85.3 | Confident | 88.8 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | trans | -142.6 | 127.1 | -177 | -153.6 | 0 | 0 | 0 | 0 | 113.8 | I102 L111 R112 | I102-T106 PolarHBondContact O-N 3.29Å; T106-L111 HydrophobicContact CG2-CB 4.45Å; T106-L111 WeakPolarHBondContact OG1-CD2 3.48Å; T106-R112 HydrophobicContact CG2-CB 3.6Å; T106-R112 HydrophobicContact CG2-CG 4.17Å | ||
| 107 | D | 83.6 | Confident | 88.7 | Confident | 157 Ų | 157 | 65.2 Ų | 65.2 | 84% | 0.84 | 38% | 0.38 | S | S | * | . | trans | -83.3 | -21.8 | 173.9 | -63.4 | -45.8 | 0 | 0 | 0 | 112.3 | N109 | D107-N109 PolarHBondContact O-N 3.46Š| ||
| 108 | C | 87.3 | Confident | 88.6 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 55% | 0.554 | 38% | 0.38 | S | S | * | . | trans | -72.7 | 112.1 | -177.8 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | G110 L111 R112 | C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.8Å; C108-L111 HydrophobicContact CB-CB 3.99Å; C108-L111 PolarHBondContact O-N 2.9Å; C108-L111 VanDerWaalsContact O-N 3.16Å; C108-R112 WeakPolarHBondContact O-CB 3.34Å; C108-R112 PolarHBondContact O-N 3.3Å | ||
| 109 | N | 84.7 | Confident | 88.6 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.4 | -43.3 | 179.9 | -74.4 | -48.7 | 0 | 0 | 0 | 114.2 | D107 R112 L113 | D107-N109 PolarHBondContact O-N 3.46Å; N109-R112 PolarHBondContact OD1-NH2 2.73Å; N109-L113 WeakPolarHBondContact O-CG 3.08Å; N109-L113 PolarHBondContact O-N 2.88Å; N109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | G | 86.4 | Confident | 88.5 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C108 R112 L113 A114 | C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.8Å; G110-R112 VanDerWaalsContact C-N 3.34Å; G110-R112 PolarHBondContact O-N 2.82Å; G110-L113 PolarHBondContact O-N 3.48Å; G110-A114 PolarHBondContact O-N 3.35Å |
| 111 | L | 88.6 | Confident | 88.4 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 178.9 | -172.9 | 58.9 | 0 | 0 | 0 | 111.2 | T106 C108 L113 A114 A115 | T106-L111 HydrophobicContact CG2-CB 4.45Å; T106-L111 WeakPolarHBondContact OG1-CD2 3.48Å; C108-L111 HydrophobicContact CB-CB 3.99Å; C108-L111 PolarHBondContact O-N 2.9Å; C108-L111 VanDerWaalsContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.46Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.27Å |
| 112 | R | 87.6 | Confident | 88.3 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 176.3 | -170 | 161.8 | 55.9 | 117.8 | 2.7 | 112.8 | M34 I102 T106 C108 N109 G110 A116 | M34-R112 HydrophobicContact CB-CG 4.17Å; M34-R112 HydrophobicContact CE-CG 4.13Å; M34-R112 HydrophobicContact CG-CG 3.89Å; M34-R112 PolarHBondContact O-NH1 3.27Å; M34-R112 PolarHBondContact O-NH2 3.09Å; M34-R112 HydrophobicContact SD-CG 3.4Å; M34-R112 WeakPolarHBondContact SD-CG 3.49Å; I102-R112 HydrophobicContact CG2-CG 4.29Å; T106-R112 HydrophobicContact CG2-CB 3.6Å; T106-R112 HydrophobicContact CG2-CG 4.17Å; C108-R112 WeakPolarHBondContact O-CB 3.34Å; C108-R112 PolarHBondContact O-N 3.3Å; N109-R112 PolarHBondContact OD1-NH2 2.73Å; G110-R112 VanDerWaalsContact C-N 3.34Å; G110-R112 PolarHBondContact O-N 2.82Å; R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.15Å; R112-A116 PolarHBondContact O-N 3.49Å |
| 113 | L | 88.1 | Confident | 88.3 | Confident | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 177.4 | -70.4 | 167.7 | 0 | 0 | 0 | 111.8 | L31 M34 R35 N109 G110 L111 A116 L117 | L31-L113 HydrophobicContact CD2-CB 4.48Å; L31-L113 HydrophobicContact CD2-CD2 3.74Å; M34-L113 HydrophobicContact CB-CD2 3.81Å; R35-L113 HydrophobicContact CB-CD2 4.27Å; R35-L113 HydrophobicContact CG-CD1 4.18Å; R35-L113 HydrophobicContact CG-CD2 4.25Å; R35-L113 HydrophobicContact CG-CG 4.5Å; N109-L113 WeakPolarHBondContact O-CG 3.08Å; N109-L113 PolarHBondContact O-N 2.88Å; N109-L113 VanDerWaalsContact O-N 3.16Å; G110-L113 PolarHBondContact O-N 3.48Å; L111-L113 PolarHBondContact O-N 3.46Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-L117 PolarHBondContact O-N 2.86Å |
| 114 | A | 89.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | G110 L111 A116 L117 L118 | G110-A114 PolarHBondContact O-N 3.35Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-A116 PolarHBondContact O-N 3.37Å; A114-L117 PolarHBondContact O-N 2.87Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.3Å; A114-L118 PolarHBondContact O-N 3.04Å |
| 115 | A | 89.7 | Confident | 88.2 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | I102 L111 L118 A119 | I102-A115 HydrophobicContact CD1-CB 4.31Å; I102-A115 HydrophobicContact CG1-CB 4.48Å; I102-A115 HydrophobicContact CG2-CB 3.62Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.27Å; A115-L118 PolarHBondContact O-N 2.95Å; A115-A119 WeakPolarHBondContact O-CB 3.19Å; A115-A119 PolarHBondContact O-N 2.86Å |
| 116 | A | 88.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M34 F99 R112 L113 A114 S120 | M34-A116 HydrophobicContact CE-CB 3.7Å; M34-A116 HydrophobicContact CG-CB 3.69Å; F99-A116 HydrophobicContact CD1-CB 4.24Å; F99-A116 HydrophobicContact CE1-CB 4.22Å; F99-A116 WeakPolarHBondContact CE1-O 3.37Å; R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.15Å; R112-A116 PolarHBondContact O-N 3.49Å; L113-A116 PolarHBondContact O-N 2.94Å; A114-A116 PolarHBondContact O-N 3.37Å; A116-S120 VanDerWaalsContact O-CB 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.39Å; A116-S120 PolarHBondContact O-N 3.35Å |
| 117 | L | 89 | Confident | 88.2 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.4 | -78.7 | 179.5 | 0 | 0 | 0 | 111.7 | L31 L113 A114 S120 G121 | L31-L117 HydrophobicContact CD1-CD2 3.98Å; L31-L117 HydrophobicContact CD2-CD1 3.87Å; L31-L117 HydrophobicContact CD2-CD2 3.86Å; L31-L117 HydrophobicContact CD2-CG 3.69Å; L31-L117 HydrophobicContact CG-CD2 3.75Å; L31-L117 HydrophobicContact CG-CG 4.17Å; L113-L117 PolarHBondContact O-N 2.86Å; A114-L117 PolarHBondContact O-N 2.87Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-G121 PolarHBondContact O-N 3.31Å |
| 118 | L | 91.5 | Very high | 88.2 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 176.9 | -71.8 | 172.3 | 0 | 0 | 0 | 111.1 | A114 A115 G121 A122 | A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.3Å; A114-L118 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 2.95Å; L118-G121 PolarHBondContact O-N 3.15Å; L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 3.11Å |
| 119 | A | 90.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 57 Ų | 57 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L98 F99 I102 A115 A122 L123 | L98-A119 HydrophobicContact CD2-CB 3.72Å; L98-A119 HydrophobicContact CG-CB 4.38Å; F99-A119 HydrophobicContact CE1-CB 4.31Å; I102-A119 HydrophobicContact CD1-CB 3.68Å; A115-A119 WeakPolarHBondContact O-CB 3.19Å; A115-A119 PolarHBondContact O-N 2.86Å; A119-A122 PolarHBondContact O-N 2.73Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 VanDerWaalsContact O-CG 3.31Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 2.93Å |
| 120 | S | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 174.6 | -180 | 0 | 0 | 0 | 0 | 111.1 | H26 S27 A116 L117 A122 L123 I124 | H26-S120 PolarHBondContact ND1-OG 2.81Å; S27-S120 PolarHBondContact OG-OG 3.29Å; A116-S120 VanDerWaalsContact O-CB 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.39Å; A116-S120 PolarHBondContact O-N 3.35Å; L117-S120 PolarHBondContact O-N 2.87Å; S120-A122 PolarHBondContact O-N 2.86Å; S120-L123 PolarHBondContact O-N 3.29Å; S120-I124 WeakPolarHBondContact O-CD1 3.31Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.47Å |
| 121 | G | 88.5 | Confident | 88.1 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L117 L118 I124 C125 | L117-G121 PolarHBondContact O-N 3.31Å; L118-G121 PolarHBondContact O-N 3.15Å; G121-I124 PolarHBondContact O-N 3.32Å; G121-C125 VanDerWaalsContact O-CB 3.22Å; G121-C125 WeakPolarHBondContact O-CB 3.39Å; G121-C125 PolarHBondContact O-N 3.01Å |
| 122 | A | 90.4 | Very high | 87.8 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L118 A119 S120 I124 C125 V126 | L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 3.11Å; A119-A122 PolarHBondContact O-N 2.73Å; S120-A122 PolarHBondContact O-N 2.86Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 3.37Å; A122-C125 PolarHBondContact O-N 2.96Å; A122-V126 WeakPolarHBondContact O-CB 3.42Å; A122-V126 VanDerWaalsContact O-CG2 3.28Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.36Å |
| 123 | L | 89.4 | Confident | 87.6 | Confident | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 178 | -77.9 | 175.7 | 0 | 0 | 0 | 112 | F91 S95 L98 A119 S120 G127 | F91-L123 HydrophobicContact CE2-CB 3.99Å; F91-L123 HydrophobicContact CZ-CB 4.02Å; S95-L123 WeakPolarHBondContact OG-CD1 3.45Å; L98-L123 HydrophobicContact CD2-CD1 3.65Å; L98-L123 HydrophobicContact CD2-CD2 4.49Å; L98-L123 HydrophobicContact CD2-CG 4.08Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 VanDerWaalsContact O-CG 3.31Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 2.93Å; S120-L123 PolarHBondContact O-N 3.29Å; L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.37Å |
| 124 | I | 86.9 | Confident | 87.5 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 177.3 | -66.7 | 165.3 | 0 | 0 | 0 | 110.5 | A23 H26 F91 S120 G121 A122 K128 | A23-I124 HydrophobicContact CB-CD1 3.92Å; A23-I124 HydrophobicContact CB-CG2 4.28Å; H26-I124 HydrophobicContact CB-CD1 4.21Å; F91-I124 HydrophobicContact CZ-CG1 3.89Å; S120-I124 WeakPolarHBondContact O-CD1 3.31Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.47Å; G121-I124 PolarHBondContact O-N 3.32Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 3.37Å; I124-K128 WeakPolarHBondContact O-CB 3.29Å; I124-K128 PolarHBondContact O-N 3.45Å |
| 125 | C | 87.3 | Confident | 87.1 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 54% | 0.541 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.1 | -52.8 | -179.3 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | G121 A122 G127 K128 E129 | G121-C125 VanDerWaalsContact O-CB 3.22Å; G121-C125 WeakPolarHBondContact O-CB 3.39Å; G121-C125 PolarHBondContact O-N 3.01Å; A122-C125 PolarHBondContact O-N 2.96Å; C125-G127 PolarHBondContact O-N 3.14Å; C125-K128 PolarHBondContact O-N 2.94Å; C125-E129 PolarHBondContact O-N 3.36Å |
| 126 | V | 89.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 66 Ų | 66 | 58% | 0.582 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 178.2 | 173 | 0 | 0 | 0 | 0 | 110.6 | A122 K128 E129 Y130 | A122-V126 WeakPolarHBondContact O-CB 3.42Å; A122-V126 VanDerWaalsContact O-CG2 3.28Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.36Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.11Å; V126-E129 PolarHBondContact O-N 2.96Å; V126-Y130 VanDerWaalsContact O-CB 3.29Å; V126-Y130 WeakPolarHBondContact O-CB 3.1Å; V126-Y130 PolarHBondContact O-N 3.08Å |
| 127 | G | 86.2 | Confident | 86.4 | Confident | 16 Ų | 16 | 70 Ų | 70 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L123 C125 Y130 F131 | L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.37Å; C125-G127 PolarHBondContact O-N 3.14Å; G127-Y130 PolarHBondContact O-N 2.87Å; G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 WeakPolarHBondContact O-CD2 3.19Å; G127-F131 PolarHBondContact O-N 3.13Å |
| 128 | K | 84.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 45% | 0.452 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 176 | 176.9 | 167.8 | 171.2 | 43 | 0 | 111.9 | I124 C125 V126 F131 D132 | I124-K128 WeakPolarHBondContact O-CB 3.29Å; I124-K128 PolarHBondContact O-N 3.45Å; C125-K128 PolarHBondContact O-N 2.94Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.11Å; K128-F131 PolarHBondContact O-N 3.5Å; K128-D132 IonicContact NZ-OD1 2.78Å; K128-D132 IonicContact NZ-OD2 3.75Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 VanDerWaalsContact O-CB 3.32Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.25Å; K128-D132 PolarHBondContact O-N 2.94Å |
| 129 | E | 86.6 | Confident | 85 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 179.1 | -171.5 | 175.9 | 168.9 | 0 | 0 | 112 | C125 V126 F131 D132 H133 | C125-E129 PolarHBondContact O-N 3.36Å; V126-E129 PolarHBondContact O-N 2.96Å; E129-F131 PolarHBondContact O-N 3.27Å; E129-D132 PolarHBondContact O-N 3.43Å; E129-H133 WeakPolarHBondContact O-CB 3.43Å; E129-H133 PolarHBondContact O-N 3.34Å |
| 130 | Y | 85.1 | Confident | 84.3 | Confident | 146 Ų | 146 | 68.8 Ų | 68.8 | 57% | 0.573 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.4 | -50.4 | 175.1 | 176.9 | -98.3 | 0 | 0 | 0 | 111.6 | V126 G127 D132 H133 V134 | V126-Y130 VanDerWaalsContact O-CB 3.29Å; V126-Y130 WeakPolarHBondContact O-CB 3.1Å; V126-Y130 PolarHBondContact O-N 3.08Å; G127-Y130 PolarHBondContact O-N 2.87Å; Y130-D132 PolarHBondContact O-N 3.16Å; Y130-H133 PolarHBondContact O-N 3.16Å; Y130-V134 HydrophobicContact CD1-CG2 4.3Å; Y130-V134 HydrophobicContact CE1-CG2 3.9Å; Y130-V134 HydrophobicContact CE2-CG2 4.29Å; Y130-V134 VanDerWaalsContact O-CG2 3.32Å; Y130-V134 WeakPolarHBondContact O-CG2 3.28Å; Y130-V134 PolarHBondContact O-N 3.38Å |
| 131 | F | 84.1 | Confident | 83.4 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | -179.8 | -78.4 | -55.9 | 0 | 0 | 0 | 112.5 | Y65 L66 M69 G127 K128 E129 N135 | Y65-F131 HydrophobicContact CE1-CB 4.26Å; Y65-F131 HydrophobicContact CE1-CD2 4.37Å; L66-F131 HydrophobicContact CD1-CZ 4.5Å; L66-F131 HydrophobicContact CD2-CD1 3.89Å; L66-F131 HydrophobicContact CD2-CD2 3.72Å; L66-F131 HydrophobicContact CD2-CE1 3.58Å; L66-F131 HydrophobicContact CD2-CE2 3.44Å; L66-F131 VanDerWaalsContact CD2-CE2 3.44Å; L66-F131 HydrophobicContact CD2-CG 3.98Å; L66-F131 HydrophobicContact CD2-CZ 3.36Å; M69-F131 HydrophobicContact CE-CB 3.48Å; M69-F131 VanDerWaalsContact CE-CB 3.48Å; M69-F131 HydrophobicContact CE-CD1 3.7Å; M69-F131 HydrophobicContact CE-CG 3.96Å; M69-F131 WeakPolarHBondContact CE-O 3.36Å; M69-F131 HydrophobicContact SD-CB 3.98Å; M69-F131 HydrophobicContact SD-CD1 3.54Å; M69-F131 VanDerWaalsContact SD-CD1 3.54Å; M69-F131 HydrophobicContact SD-CE1 4.3Å; M69-F131 HydrophobicContact SD-CG 3.9Å; G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 WeakPolarHBondContact O-CD2 3.19Å; G127-F131 PolarHBondContact O-N 3.13Å; K128-F131 PolarHBondContact O-N 3.5Å; E129-F131 PolarHBondContact O-N 3.27Å; F131-N135 VanDerWaalsContact O-CB 3.31Å; F131-N135 WeakPolarHBondContact O-CB 3.29Å; F131-N135 PolarHBondContact O-N 2.92Å |
| 132 | D | 82.5 | Confident | 82.3 | Confident | 63 Ų | 63 | 78 Ų | 78 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.1 | -75.4 | -17.8 | 0 | 0 | 0 | 110.6 | Y65 K128 E129 Y130 N135 Q136 | Y65-D132 PolarHBondContact OH-OD1 3.22Å; K128-D132 IonicContact NZ-OD1 2.78Å; K128-D132 IonicContact NZ-OD2 3.75Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 VanDerWaalsContact O-CB 3.32Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.25Å; K128-D132 PolarHBondContact O-N 2.94Å; E129-D132 PolarHBondContact O-N 3.43Å; Y130-D132 PolarHBondContact O-N 3.16Å; D132-N135 WeakPolarHBondContact O-CB 3.25Å; D132-N135 PolarHBondContact O-N 3.38Å; D132-Q136 WeakPolarHBondContact O-CG 3.45Å; D132-Q136 PolarHBondContact O-N 3.1Å |
| 133 | H | 84.3 | Confident | 81.1 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 175 | -174.6 | 67.2 | 0 | 0 | 0 | 112.5 | E129 Y130 N135 Q136 L137 | E129-H133 WeakPolarHBondContact O-CB 3.43Å; E129-H133 PolarHBondContact O-N 3.34Å; Y130-H133 PolarHBondContact O-N 3.16Å; H133-N135 PolarHBondContact O-N 2.88Å; H133-Q136 WeakPolarHBondContact O-CB 3.45Å; H133-Q136 PolarHBondContact O-N 2.8Å; H133-Q136 VanDerWaalsContact O-N 3.09Å; H133-L137 PolarHBondContact O-N 3.19Å |
| 134 | V | 85.3 | Confident | 79.4 | Confident | 40 Ų | 40 | 91.4 Ų | 91.4 | 24% | 0.242 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58 | -37.9 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | Y130 G138 | Y130-V134 HydrophobicContact CD1-CG2 4.3Å; Y130-V134 HydrophobicContact CE1-CG2 3.9Å; Y130-V134 HydrophobicContact CE2-CG2 4.29Å; Y130-V134 VanDerWaalsContact O-CG2 3.32Å; Y130-V134 WeakPolarHBondContact O-CG2 3.28Å; Y130-V134 PolarHBondContact O-N 3.38Å; V134-G138 PolarHBondContact O-N 3.2Å; V134-G138 VanDerWaalsContact O-N 3.09Å |
| 135 | N | 80.5 | Confident | 79 | Confident | 34 Ų | 34 | 93.7 Ų | 93.7 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 177.9 | -163.6 | 69.8 | 0 | 0 | 0 | 112.8 | M69 E70 H71 F131 D132 H133 A139 | M69-N135 HydrophobicContact CE-CB 4.21Å; E70-N135 WeakPolarHBondContact CA-OD1 3.45Å; E70-N135 VanDerWaalsContact CB-OD1 3.29Å; E70-N135 WeakPolarHBondContact CB-OD1 3.26Å; E70-N135 PolarHBondContact N-OD1 2.67Å; H71-N135 PolarHBondContact N-OD1 3.42Å; F131-N135 VanDerWaalsContact O-CB 3.31Å; F131-N135 WeakPolarHBondContact O-CB 3.29Å; F131-N135 PolarHBondContact O-N 2.92Å; D132-N135 WeakPolarHBondContact O-CB 3.25Å; D132-N135 PolarHBondContact O-N 3.38Å; H133-N135 PolarHBondContact O-N 2.88Å; N135-A139 PolarHBondContact O-N 3.26Å |
| 136 | Q | 82.4 | Confident | 78.6 | Confident | 116 Ų | 116 | 94.4 Ų | 94.4 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 174.3 | -72.3 | 172.6 | -2.8 | 0 | 0 | 111.4 | D132 H133 G138 A139 E140 | D132-Q136 WeakPolarHBondContact O-CG 3.45Å; D132-Q136 PolarHBondContact O-N 3.1Å; H133-Q136 WeakPolarHBondContact O-CB 3.45Å; H133-Q136 PolarHBondContact O-N 2.8Å; H133-Q136 VanDerWaalsContact O-N 3.09Å; Q136-G138 VanDerWaalsContact C-N 3.29Å; Q136-G138 PolarHBondContact O-N 3.3Å; Q136-A139 WeakPolarHBondContact O-CA 3.31Å; Q136-A139 WeakPolarHBondContact O-CB 3.36Å; Q136-A139 PolarHBondContact O-N 3.29Å; Q136-E140 PolarHBondContact O-N 3.24Å |
| 137 | L | 83 | Confident | 78 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 45% | 0.445 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57 | -42.8 | 176.8 | -71 | 171.8 | 0 | 0 | 0 | 112.1 | H133 A139 E140 S141 | H133-L137 PolarHBondContact O-N 3.19Å; L137-A139 PolarHBondContact O-N 2.92Å; L137-E140 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-N 2.97Å |
| 138 | G | 76.1 | Confident | 77.5 | Confident | 27 Ų | 27 | 98.9 Ų | 98.9 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -20.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V134 Q136 | V134-G138 PolarHBondContact O-N 3.2Å; V134-G138 VanDerWaalsContact O-N 3.09Å; Q136-G138 VanDerWaalsContact C-N 3.29Å; Q136-G138 PolarHBondContact O-N 3.3Å |
| 139 | A | 74.4 | Confident | 77.1 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -85.5 | -35.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N135 Q136 L137 R142 | N135-A139 PolarHBondContact O-N 3.26Å; Q136-A139 WeakPolarHBondContact O-CA 3.31Å; Q136-A139 WeakPolarHBondContact O-CB 3.36Å; Q136-A139 PolarHBondContact O-N 3.29Å; L137-A139 PolarHBondContact O-N 2.92Å; A139-R142 PolarHBondContact O-N 3.44Å |
| 140 | E | 75 | Confident | 76.5 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 176.3 | -70.8 | 177 | 169.7 | 0 | 0 | 111.9 | Q136 L137 R142 K143 | Q136-E140 PolarHBondContact O-N 3.24Å; L137-E140 PolarHBondContact O-N 3.45Å; E140-R142 PolarHBondContact O-N 3.46Å; E140-K143 PolarHBondContact O-N 3.18Å |
| 141 | S | 70.1 | Confident | 75.9 | Confident | 92 Ų | 92 | 92.8 Ų | 92.8 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -7.8 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 114.6 | L137 | L137-S141 PolarHBondContact O-N 2.97Š|
| 142 | R | 66.1 | Low | 75.2 | Confident | 138 Ų | 138 | 96 Ų | 96 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.2 | 173 | -81.9 | -145.5 | -63 | -94 | -3.8 | 114.2 | H74 A139 E140 | H74-R142 PolarHBondContact CE1-NH1 2.76Å; H74-R142 PolarHBondContact ND1-NH1 3.27Å; A139-R142 PolarHBondContact O-N 3.44Å; E140-R142 PolarHBondContact O-N 3.46Å |
| 143 | K | 63.9 | Low | 74.6 | Confident | 185 Ų | 185 | 98.8 Ų | 98.8 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.6 | 178.2 | -74 | -175.6 | 178.2 | 177.5 | 0 | 112.9 | E140 | E140-K143 PolarHBondContact O-N 3.18Š|
| 144 | D | 54.5 | Low | 73.7 | Confident | 201 Ų | 201 | 98.5 Ų | 98.5 | 100% | 1.075 | 52% | 0.516 | S | S | * | . | trans | -84.8 | 0 | 173 | -58 | -27.5 | 0 | 0 | 0 | 111 |
Retrieved 144 of 144 residues in 267.4 ms
(Link to these results)