| 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 | 51.8 | Low | 64.9 | Low | 192 Ų | 192 | 107.5 Ų | 107.5 | 95% | 0.946 | 61% | 0.61 | S | S | * | * | 0 | -59.5 | 0 | -73.1 | -93 | -111.9 | 0 | 0 | 111.4 | Q3 L4 M5 | M1-Q3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-M5 WeakPolarHBondContact O-CG 3.31Å; M1-M5 PolarHBondContact O-N 3.2Å | |||
| 2 | A | 52.9 | Low | 66.5 | Low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.2 | -43.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L4 M5 D6 | A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å; A2-M5 PolarHBondContact O-N 2.91Å; A2-D6 VanDerWaalsContact O-CB 3.29Å; A2-D6 WeakPolarHBondContact O-CB 3.44Å; A2-D6 PolarHBondContact O-N 2.67Å |
| 3 | Q | 53.4 | Low | 67.8 | Low | 179 Ų | 179 | 110.2 Ų | 110.2 | 84% | 0.836 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.3 | -29.8 | 176.2 | -75.5 | 178.9 | -20.5 | 0 | 0 | 113.8 | M1 G7 | M1-Q3 PolarHBondContact O-N 3.38Å; Q3-G7 PolarHBondContact O-N 2.83Å |
| 4 | L | 56.2 | Low | 69 | Low | 142 Ų | 142 | 106 Ų | 106 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.3 | -39 | 177 | -109.7 | 150 | 0 | 0 | 0 | 111 | M1 A2 G7 A8 | M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.15Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å; L4-G7 PolarHBondContact O-N 2.96Å; L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.09Å |
| 5 | M | 53.8 | Low | 70.2 | Confident | 136 Ų | 136 | 105.5 Ų | 105.5 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.6 | -37.9 | 174.2 | -67.5 | 178.2 | 75.9 | 0 | 0 | 112.2 | M1 A2 A8 G9 | M1-M5 WeakPolarHBondContact O-CG 3.31Å; M1-M5 PolarHBondContact O-N 3.2Å; A2-M5 PolarHBondContact O-N 2.91Å; M5-A8 PolarHBondContact O-N 3.33Å; M5-G9 PolarHBondContact O-N 2.97Å |
| 6 | D | 64.6 | Low | 71.3 | Confident | 86 Ų | 86 | 104.4 Ų | 104.4 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67 | -39.1 | 173.5 | -174.9 | 40.2 | 0 | 0 | 0 | 111.5 | A2 K10 | A2-D6 VanDerWaalsContact O-CB 3.29Å; A2-D6 WeakPolarHBondContact O-CB 3.44Å; A2-D6 PolarHBondContact O-N 2.67Å; D6-K10 WeakPolarHBondContact O-CB 3.18Å; D6-K10 WeakPolarHBondContact O-CD 3.42Å; D6-K10 VanDerWaalsContact O-CG 3.25Å; D6-K10 WeakPolarHBondContact O-CG 3.38Å; D6-K10 PolarHBondContact O-N 2.64Å; D6-K10 VanDerWaalsContact OD1-CE 3.31Å; D6-K10 WeakPolarHBondContact OD1-CE 3.27Å; D6-K10 IonicContact OD1-NZ 3.72Å; D6-K10 PolarHBondContact OD1-NZ 2.85Å; D6-K10 WeakPolarHBondContact OD2-CE 3.47Å; D6-K10 IonicContact OD2-NZ 3.43Å; D6-K10 PolarHBondContact OD2-NZ 3.05Å |
| 7 | G | 70.3 | Confident | 72.2 | Confident | 38 Ų | 38 | 103.1 Ų | 103.1 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q3 L4 L11 | Q3-G7 PolarHBondContact O-N 2.83Å; L4-G7 PolarHBondContact O-N 2.96Å; G7-L11 VanDerWaalsContact O-CB 3.29Å; G7-L11 WeakPolarHBondContact O-CB 3.19Å; G7-L11 PolarHBondContact O-N 3.13Å |
| 8 | A | 72.4 | Confident | 73.1 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.9 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L4 M5 L11 S12 | L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.09Å; M5-A8 PolarHBondContact O-N 3.33Å; A8-L11 PolarHBondContact O-N 3.22Å; A8-S12 VanDerWaalsContact O-CB 3.31Å; A8-S12 WeakPolarHBondContact O-CB 3.14Å; A8-S12 PolarHBondContact O-N 3.25Å |
| 9 | G | 77.6 | Confident | 73.9 | Confident | 42 Ų | 42 | 97.5 Ų | 97.5 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M5 S12 W13 | M5-G9 PolarHBondContact O-N 2.97Å; G9-S12 PolarHBondContact O-N 3.28Å; G9-W13 WeakPolarHBondContact O-CB 3.45Å; G9-W13 PolarHBondContact O-N 3.23Å |
| 10 | K | 78.7 | Confident | 74.7 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 55% | 0.548 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 174 | -75.4 | 168.1 | 178.6 | 163.6 | 0 | 112.1 | D6 W13 V14 | D6-K10 WeakPolarHBondContact O-CB 3.18Å; D6-K10 WeakPolarHBondContact O-CD 3.42Å; D6-K10 VanDerWaalsContact O-CG 3.25Å; D6-K10 WeakPolarHBondContact O-CG 3.38Å; D6-K10 PolarHBondContact O-N 2.64Å; D6-K10 VanDerWaalsContact OD1-CE 3.31Å; D6-K10 WeakPolarHBondContact OD1-CE 3.27Å; D6-K10 IonicContact OD1-NZ 3.72Å; D6-K10 PolarHBondContact OD1-NZ 2.85Å; D6-K10 WeakPolarHBondContact OD2-CE 3.47Å; D6-K10 IonicContact OD2-NZ 3.43Å; D6-K10 PolarHBondContact OD2-NZ 3.05Å; K10-W13 PolarHBondContact O-N 3.27Å; K10-V14 VanDerWaalsContact O-CG2 3.28Å; K10-V14 WeakPolarHBondContact O-CG2 3.43Å; K10-V14 PolarHBondContact O-N 3.02Å |
| 11 | L | 82.2 | Confident | 75.4 | Confident | 106 Ų | 106 | 94.6 Ų | 94.6 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 177.3 | -176.9 | 65 | 0 | 0 | 0 | 111.5 | G7 A8 W13 V14 L15 | G7-L11 VanDerWaalsContact O-CB 3.29Å; G7-L11 WeakPolarHBondContact O-CB 3.19Å; G7-L11 PolarHBondContact O-N 3.13Å; A8-L11 PolarHBondContact O-N 3.22Å; L11-W13 VanDerWaalsContact C-N 3.32Å; L11-W13 PolarHBondContact O-N 3.19Å; L11-V14 PolarHBondContact O-N 3.07Å; L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.22Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 3.24Å |
| 12 | S | 83.8 | Confident | 77.2 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 54% | 0.538 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | A8 G9 L15 L16 | A8-S12 VanDerWaalsContact O-CB 3.31Å; A8-S12 WeakPolarHBondContact O-CB 3.14Å; A8-S12 PolarHBondContact O-N 3.25Å; G9-S12 PolarHBondContact O-N 3.28Å; S12-L15 PolarHBondContact O-N 3.13Å; S12-L16 WeakPolarHBondContact O-CB 3.45Å; S12-L16 PolarHBondContact O-N 3.11Å |
| 13 | W | 84.4 | Confident | 78.9 | Confident | 172 Ų | 172 | 88.5 Ų | 88.5 | 65% | 0.652 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 175.2 | -179.7 | -114.1 | 0 | 0 | 0 | 112.9 | G9 K10 L11 L15 L16 K17 | G9-W13 WeakPolarHBondContact O-CB 3.45Å; G9-W13 PolarHBondContact O-N 3.23Å; K10-W13 PolarHBondContact O-N 3.27Å; L11-W13 VanDerWaalsContact C-N 3.32Å; L11-W13 PolarHBondContact O-N 3.19Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 2.79Å; W13-L16 HydrophobicContact CE3-CD2 4.25Å; W13-L16 HydrophobicContact CZ3-CD2 4.2Å; W13-L16 PolarHBondContact O-N 3Å; W13-K17 VanDerWaalsContact O-CB 3.3Å; W13-K17 WeakPolarHBondContact O-CB 3.42Å; W13-K17 PolarHBondContact O-N 3.49Å |
| 14 | V | 84.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | K10 L11 S18 | K10-V14 VanDerWaalsContact O-CG2 3.28Å; K10-V14 WeakPolarHBondContact O-CG2 3.43Å; K10-V14 PolarHBondContact O-N 3.02Å; L11-V14 PolarHBondContact O-N 3.07Å; V14-S18 VanDerWaalsContact O-CB 3.27Å; V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.49Å; V14-S18 PolarHBondContact O-OG 3.43Å |
| 15 | L | 86.7 | Confident | 82.2 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 52% | 0.518 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.8 | -72.2 | 171.8 | 0 | 0 | 0 | 111.6 | L11 S12 W13 K17 S18 V19 | L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.22Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 3.24Å; S12-L15 PolarHBondContact O-N 3.13Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 2.79Å; L15-K17 PolarHBondContact O-N 3.26Å; L15-S18 WeakPolarHBondContact O-CB 3.26Å; L15-S18 PolarHBondContact O-N 2.63Å; L15-S18 VanDerWaalsContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 2.98Å |
| 16 | L | 88 | Confident | 83.8 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 176.6 | 178.9 | 62.4 | 0 | 0 | 0 | 111.2 | S12 W13 S18 V19 I20 | S12-L16 WeakPolarHBondContact O-CB 3.45Å; S12-L16 PolarHBondContact O-N 3.11Å; W13-L16 HydrophobicContact CE3-CD2 4.25Å; W13-L16 HydrophobicContact CZ3-CD2 4.2Å; W13-L16 PolarHBondContact O-N 3Å; L16-S18 VanDerWaalsContact C-N 3.29Å; L16-S18 PolarHBondContact O-N 2.89Å; L16-V19 PolarHBondContact O-N 3.42Å; L16-I20 HydrophobicContact CD1-CD1 4.02Å; L16-I20 HydrophobicContact CD1-CG1 4.38Å; L16-I20 HydrophobicContact CG-CD1 3.95Å; L16-I20 WeakPolarHBondContact O-CG1 3.23Å; L16-I20 PolarHBondContact O-N 3.39Å |
| 17 | K | 86.9 | Confident | 85 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 175.2 | -172.7 | -179.3 | -177.6 | -176.3 | 0 | 111.3 | W13 L15 R21 | W13-K17 VanDerWaalsContact O-CB 3.3Å; W13-K17 WeakPolarHBondContact O-CB 3.42Å; W13-K17 PolarHBondContact O-N 3.49Å; L15-K17 PolarHBondContact O-N 3.26Å; K17-R21 WeakPolarHBondContact O-CB 3.35Å; K17-R21 WeakPolarHBondContact O-CD 3.47Å; K17-R21 WeakPolarHBondContact O-CG 3.36Å; K17-R21 PolarHBondContact O-N 2.87Å |
| 18 | S | 87.4 | Confident | 85.8 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | V14 L15 L16 F22 F275 | V14-S18 VanDerWaalsContact O-CB 3.27Å; V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.49Å; V14-S18 PolarHBondContact O-OG 3.43Å; L15-S18 WeakPolarHBondContact O-CB 3.26Å; L15-S18 PolarHBondContact O-N 2.63Å; L15-S18 VanDerWaalsContact O-N 3.14Å; L16-S18 VanDerWaalsContact C-N 3.29Å; L16-S18 PolarHBondContact O-N 2.89Å; S18-F22 VanDerWaalsContact O-CB 3.3Å; S18-F22 WeakPolarHBondContact O-CB 3.49Å; S18-F22 PolarHBondContact O-N 2.98Å; S18-F275 WeakPolarHBondContact CA-O 3.29Å; S18-F275 PolarHBondContact OG-O 3.49Å |
| 19 | V | 89.9 | Confident | 86.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 53% | 0.527 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -50.8 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | L15 L16 R21 F22 T23 | L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 2.98Å; L16-V19 PolarHBondContact O-N 3.42Å; V19-R21 VanDerWaalsContact C-N 3.27Å; V19-R21 PolarHBondContact O-N 3.03Å; V19-F22 PolarHBondContact O-N 2.71Å; V19-F22 VanDerWaalsContact O-N 3.14Å; V19-T23 WeakPolarHBondContact O-CB 3.11Å; V19-T23 PolarHBondContact O-N 3.35Å; V19-T23 PolarHBondContact O-OG1 2.87Å |
| 20 | I | 89.6 | Confident | 87 | Confident | 105 Ų | 105 | 76 Ų | 76 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.1 | -45 | 179 | -67.9 | 167.2 | 0 | 0 | 0 | 110.8 | L16 T23 F24 | L16-I20 HydrophobicContact CD1-CD1 4.02Å; L16-I20 HydrophobicContact CD1-CG1 4.38Å; L16-I20 HydrophobicContact CG-CD1 3.95Å; L16-I20 WeakPolarHBondContact O-CG1 3.23Å; L16-I20 PolarHBondContact O-N 3.39Å; I20-T23 PolarHBondContact O-N 3.2Å; I20-F24 WeakPolarHBondContact O-CB 3.3Å; I20-F24 PolarHBondContact O-N 2.77Å |
| 21 | R | 89 | Confident | 87.5 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 11% | 0.109 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.8 | -72.7 | 171.9 | 61.7 | 122.5 | 16.5 | 112.8 | K17 V19 T23 F24 M25 W72 W273 I274 F275 | K17-R21 WeakPolarHBondContact O-CB 3.35Å; K17-R21 WeakPolarHBondContact O-CD 3.47Å; K17-R21 WeakPolarHBondContact O-CG 3.36Å; K17-R21 PolarHBondContact O-N 2.87Å; V19-R21 VanDerWaalsContact C-N 3.27Å; V19-R21 PolarHBondContact O-N 3.03Å; R21-T23 VanDerWaalsContact C-N 3.34Å; R21-F24 PolarHBondContact O-N 2.82Å; R21-M25 WeakPolarHBondContact O-CB 3.49Å; R21-M25 PolarHBondContact O-N 3.43Å; R21-W72 PolarHBondContact NH2-O 3.02Å; R21-W273 PolarHBondContact NH2-O 2.69Å; R21-I274 PolarHBondContact NE-O 2.95Å; R21-I274 PolarHBondContact NH2-O 3.38Å; R21-F275 WeakPolarHBondContact CD-O 3.44Å; R21-F275 PolarHBondContact NE-O 2.9Å |
| 22 | F | 89.7 | Confident | 87.8 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 37% | 0.373 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177 | 177.3 | -96.7 | 0 | 0 | 0 | 110.9 | S18 V19 M25 F26 I274 F275 | S18-F22 VanDerWaalsContact O-CB 3.3Å; S18-F22 WeakPolarHBondContact O-CB 3.49Å; S18-F22 PolarHBondContact O-N 2.98Å; V19-F22 PolarHBondContact O-N 2.71Å; V19-F22 VanDerWaalsContact O-N 3.14Å; F22-M25 HydrophobicContact CD2-CE 3.9Å; F22-M25 HydrophobicContact CE2-CE 3.98Å; F22-M25 PolarHBondContact O-N 3.07Å; F22-F26 VanDerWaalsContact O-CB 3.29Å; F22-F26 WeakPolarHBondContact O-CB 3.29Å; F22-F26 PolarHBondContact O-N 2.86Å; F22-I274 HydrophobicContact CD2-CG2 3.94Å; F22-F275 HydrophobicContact CB-CD1 4.05Å; F22-F275 HydrophobicContact CB-CE1 3.72Å; F22-F275 HydrophobicContact CD2-CD1 4.49Å; F22-F275 AromaticContact CD2-CE1 3.6Å; F22-F275 HydrophobicContact CD2-CE1 3.6Å; F22-F275 AromaticContact CD2-CZ 3.77Å; F22-F275 HydrophobicContact CD2-CZ 3.77Å; F22-F275 HydrophobicContact CE2-CE1 4.48Å; F22-F275 HydrophobicContact CE2-CZ 4.28Å; F22-F275 AromaticContact CG-CE1 3.81Å; F22-F275 HydrophobicContact CG-CE1 3.81Å; F22-F275 HydrophobicContact CG-CZ 4.4Å |
| 23 | T | 89.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | V19 I20 R21 M25 F26 F27 | V19-T23 WeakPolarHBondContact O-CB 3.11Å; V19-T23 PolarHBondContact O-N 3.35Å; V19-T23 PolarHBondContact O-OG1 2.87Å; I20-T23 PolarHBondContact O-N 3.2Å; R21-T23 VanDerWaalsContact C-N 3.34Å; T23-M25 PolarHBondContact O-N 3.42Å; T23-F26 PolarHBondContact O-N 3.33Å; T23-F27 HydrophobicContact CG2-CD2 3.69Å; T23-F27 HydrophobicContact CG2-CE2 3.53Å; T23-F27 WeakPolarHBondContact O-CD2 3.41Å; T23-F27 PolarHBondContact O-N 3.15Å |
| 24 | F | 89.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 175.9 | 175.4 | -99.5 | 0 | 0 | 0 | 112 | I20 R21 F26 F27 N28 F355 | I20-F24 WeakPolarHBondContact O-CB 3.3Å; I20-F24 PolarHBondContact O-N 2.77Å; R21-F24 PolarHBondContact O-N 2.82Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 2.92Å; F24-F27 PolarHBondContact O-N 3.43Å; F24-N28 VanDerWaalsContact O-CB 3.25Å; F24-N28 WeakPolarHBondContact O-CB 3.29Å; F24-N28 PolarHBondContact O-N 2.9Å; F24-F355 HydrophobicContact CE2-CE2 4.05Å; F24-F355 HydrophobicContact CE2-CZ 4.08Å; F24-F355 HydrophobicContact CZ-CE2 4.44Å |
| 25 | M | 88.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 178.3 | -179.9 | -82.9 | -75.4 | 0 | 0 | 111.6 | R21 F22 T23 N28 N29 W72 I274 | R21-M25 WeakPolarHBondContact O-CB 3.49Å; R21-M25 PolarHBondContact O-N 3.43Å; F22-M25 HydrophobicContact CD2-CE 3.9Å; F22-M25 HydrophobicContact CE2-CE 3.98Å; F22-M25 PolarHBondContact O-N 3.07Å; T23-M25 PolarHBondContact O-N 3.42Å; M25-N28 PolarHBondContact O-N 2.95Å; M25-N29 PolarHBondContact O-N 3.17Å; M25-N29 PolarHBondContact O-ND2 3.36Å; M25-N29 PolarHBondContact SD-ND2 3.28Å; M25-W72 HydrophobicContact CG-CD2 4Å; M25-W72 HydrophobicContact CG-CE3 4.24Å; M25-W72 HydrophobicContact CG-CH2 3.84Å; M25-W72 HydrophobicContact CG-CZ2 3.57Å; M25-W72 HydrophobicContact CG-CZ3 4.16Å; M25-W72 HydrophobicContact SD-CH2 4.34Å; M25-W72 HydrophobicContact SD-CZ2 4.49Å; M25-I274 HydrophobicContact CE-CB 4.23Å; M25-I274 HydrophobicContact CE-CD1 3.81Å; M25-I274 HydrophobicContact CE-CG1 3.86Å; M25-I274 HydrophobicContact CE-CG2 3.33Å |
| 26 | F | 88.6 | Confident | 88.6 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -53.7 | 179.4 | -179.3 | -96.7 | 0 | 0 | 0 | 111 | F22 T23 F24 N28 N29 C30 | F22-F26 VanDerWaalsContact O-CB 3.29Å; F22-F26 WeakPolarHBondContact O-CB 3.29Å; F22-F26 PolarHBondContact O-N 2.86Å; T23-F26 PolarHBondContact O-N 3.33Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 2.92Å; F26-N28 VanDerWaalsContact C-N 3.32Å; F26-N28 PolarHBondContact O-N 3.3Å; F26-N29 PolarHBondContact O-N 3.44Å; F26-C30 WeakPolarHBondContact O-CB 3.27Å; F26-C30 PolarHBondContact O-N 2.69Å; F26-C30 PolarHBondContact O-SG 3Å |
| 27 | F | 88.3 | Confident | 88.7 | Confident | 117 Ų | 117 | 49 Ų | 49 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.9 | -78.3 | -67.3 | 0 | 0 | 0 | 112.2 | T23 F24 N29 C30 V31 | T23-F27 HydrophobicContact CG2-CD2 3.69Å; T23-F27 HydrophobicContact CG2-CE2 3.53Å; T23-F27 WeakPolarHBondContact O-CD2 3.41Å; T23-F27 PolarHBondContact O-N 3.15Å; F24-F27 PolarHBondContact O-N 3.43Å; F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.43Å; F27-C30 PolarHBondContact O-N 2.79Å; F27-V31 WeakPolarHBondContact O-CB 3.29Å; F27-V31 WeakPolarHBondContact O-CG2 3.11Å; F27-V31 PolarHBondContact O-N 2.71Å |
| 28 | N | 88.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 177 | -175.1 | 54.7 | 0 | 0 | 0 | 111.9 | F24 M25 F26 V31 A32 M68 Q351 F355 | F24-N28 VanDerWaalsContact O-CB 3.25Å; F24-N28 WeakPolarHBondContact O-CB 3.29Å; F24-N28 PolarHBondContact O-N 2.9Å; M25-N28 PolarHBondContact O-N 2.95Å; F26-N28 VanDerWaalsContact C-N 3.32Å; F26-N28 PolarHBondContact O-N 3.3Å; N28-V31 PolarHBondContact O-N 2.87Å; N28-A32 WeakPolarHBondContact O-CB 3.29Å; N28-A32 PolarHBondContact O-N 3.45Å; N28-M68 PolarHBondContact ND2-SD 3.11Å; N28-Q351 PolarHBondContact OD1-OE1 3.04Å; N28-F355 HydrophobicContact CB-CZ 4.34Å |
| 29 | N | 87.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 177.1 | -79.6 | -90.3 | 0 | 0 | 0 | 112.4 | M25 F26 F27 V31 I33 W72 | M25-N29 PolarHBondContact O-N 3.17Å; M25-N29 PolarHBondContact O-ND2 3.36Å; M25-N29 PolarHBondContact SD-ND2 3.28Å; F26-N29 PolarHBondContact O-N 3.44Å; F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.43Å; N29-V31 PolarHBondContact O-N 3.29Å; N29-I33 HydrophobicContact CB-CD1 4.16Å; N29-I33 WeakPolarHBondContact O-CB 3.48Å; N29-I33 PolarHBondContact O-N 2.91Å; N29-I33 WeakPolarHBondContact OD1-CD1 3.43Å; N29-W72 WeakPolarHBondContact ND2-CH2 3.46Å; N29-W72 WeakPolarHBondContact ND2-CZ2 3.04Å |
| 30 | C | 86.9 | Confident | 88.7 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -27.3 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 112.8 | F26 F27 P34 | F26-C30 WeakPolarHBondContact O-CB 3.27Å; F26-C30 PolarHBondContact O-N 2.69Å; F26-C30 PolarHBondContact O-SG 3Å; F27-C30 PolarHBondContact O-N 2.79Å; C30-P34 WeakPolarHBondContact O-CD 3.27Å; C30-P34 WeakPolarHBondContact O-CG 3.47Å |
| 31 | V | 88.1 | Confident | 88.6 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -92.8 | -50.5 | 178.5 | 165 | 0 | 0 | 0 | 0 | 111.2 | F27 N28 N29 S35 A354 F355 | F27-V31 WeakPolarHBondContact O-CB 3.29Å; F27-V31 WeakPolarHBondContact O-CG2 3.11Å; F27-V31 PolarHBondContact O-N 2.71Å; N28-V31 PolarHBondContact O-N 2.87Å; N29-V31 PolarHBondContact O-N 3.29Å; V31-S35 VanDerWaalsContact O-CB 3.24Å; V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.92Å; V31-S35 PolarHBondContact O-OG 3.31Å; V31-A354 WeakPolarHBondContact CG1-O 3.42Å; V31-F355 HydrophobicContact CG1-CD1 4.5Å |
| 32 | A | 89.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -41.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | N28 Y36 L65 M68 A354 | N28-A32 WeakPolarHBondContact O-CB 3.29Å; N28-A32 PolarHBondContact O-N 3.45Å; A32-Y36 VanDerWaalsContact O-CB 3.32Å; A32-Y36 WeakPolarHBondContact O-CB 3.5Å; A32-Y36 PolarHBondContact O-N 3.29Å; A32-L65 HydrophobicContact CB-CD2 3.81Å; A32-M68 HydrophobicContact CB-CE 4.19Å; A32-M68 HydrophobicContact CB-SD 3.74Å; A32-A354 HydrophobicContact CB-CB 4.27Å |
| 33 | I | 89.1 | Confident | 88.6 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.4 | -48.7 | -174.4 | -61.5 | 172.4 | 0 | 0 | 0 | 111.6 | N29 S35 Y36 C37 N136 L139 V140 | N29-I33 HydrophobicContact CB-CD1 4.16Å; N29-I33 WeakPolarHBondContact O-CB 3.48Å; N29-I33 PolarHBondContact O-N 2.91Å; N29-I33 WeakPolarHBondContact OD1-CD1 3.43Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.08Å; I33-Y36 WeakPolarHBondContact O-CB 3.44Å; I33-Y36 PolarHBondContact O-N 2.95Å; I33-C37 PolarHBondContact O-N 3.02Å; I33-C37 PolarHBondContact O-SG 2.94Å; I33-C37 VanDerWaalsContact O-SG 3.36Å; I33-N136 HydrophobicContact CD1-CB 3.43Å; I33-N136 VanDerWaalsContact CD1-CB 3.43Å; I33-L139 HydrophobicContact CG2-CD2 3.94Å; I33-V140 HydrophobicContact CG1-CG2 4.32Å; I33-V140 HydrophobicContact CG2-CG2 4.22Å |
| 34 | P | 88.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 174.7 | -27 | 39.3 | 0 | 0 | 0 | 112.1 | C30 Y36 C37 L38 | C30-P34 WeakPolarHBondContact O-CD 3.27Å; C30-P34 WeakPolarHBondContact O-CG 3.47Å; P34-Y36 VanDerWaalsContact C-N 3.33Å; P34-Y36 PolarHBondContact O-N 2.89Å; P34-C37 PolarHBondContact O-N 3.27Å; P34-L38 WeakPolarHBondContact O-CB 3.36Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.48Å; P34-L38 PolarHBondContact O-N 2.9Å |
| 35 | S | 88.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | V31 I33 C37 L38 Y39 G358 | V31-S35 VanDerWaalsContact O-CB 3.24Å; V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.92Å; V31-S35 PolarHBondContact O-OG 3.31Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.08Å; S35-C37 PolarHBondContact O-N 3.27Å; S35-L38 PolarHBondContact O-N 2.85Å; S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.6Å; S35-G358 WeakPolarHBondContact OG-CA 3.31Å; S35-G358 PolarHBondContact OG-N 3.35Å |
| 36 | Y | 89.7 | Confident | 88.3 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 175 | 171.9 | -101.7 | 0 | 0 | 0 | 112.5 | A32 I33 P34 L38 Y39 L40 E58 M61 L65 V140 I143 | A32-Y36 VanDerWaalsContact O-CB 3.32Å; A32-Y36 WeakPolarHBondContact O-CB 3.5Å; A32-Y36 PolarHBondContact O-N 3.29Å; I33-Y36 WeakPolarHBondContact O-CB 3.44Å; I33-Y36 PolarHBondContact O-N 2.95Å; P34-Y36 VanDerWaalsContact C-N 3.33Å; P34-Y36 PolarHBondContact O-N 2.89Å; Y36-L38 PolarHBondContact O-N 2.92Å; Y36-Y39 PolarHBondContact O-N 3.42Å; Y36-L40 HydrophobicContact CD1-CD1 4.14Å; Y36-L40 HydrophobicContact CD2-CD1 4.3Å; Y36-L40 HydrophobicContact CE1-CD1 3.54Å; Y36-L40 HydrophobicContact CE2-CD1 3.73Å; Y36-L40 HydrophobicContact CE2-CG 4.39Å; Y36-L40 HydrophobicContact CG-CD1 4.5Å; Y36-L40 WeakPolarHBondContact O-CG 3.27Å; Y36-L40 PolarHBondContact O-N 3.18Å; Y36-L40 VanDerWaalsContact O-N 3.08Å; Y36-E58 PolarHBondContact OH-OE1 3.35Å; Y36-M61 HydrophobicContact CD2-CB 3.8Å; Y36-M61 HydrophobicContact CD2-CE 4.32Å; Y36-M61 HydrophobicContact CD2-SD 4.45Å; Y36-M61 HydrophobicContact CE2-CB 3.78Å; Y36-M61 HydrophobicContact CE2-CE 4.24Å; Y36-L65 HydrophobicContact CD1-CD1 4.02Å; Y36-L65 HydrophobicContact CD2-CD1 3.64Å; Y36-L65 HydrophobicContact CE1-CD1 4.35Å; Y36-L65 HydrophobicContact CE2-CD1 3.99Å; Y36-L65 HydrophobicContact CG-CD1 3.63Å; Y36-V140 HydrophobicContact CD1-CG2 4.34Å; Y36-V140 HydrophobicContact CE1-CB 4.44Å; Y36-V140 HydrophobicContact CE1-CG1 3.93Å; Y36-V140 HydrophobicContact CE1-CG2 4.42Å; Y36-I143 HydrophobicContact CD1-CD1 4.44Å; Y36-I143 HydrophobicContact CE1-CB 4.25Å; Y36-I143 HydrophobicContact CE1-CD1 4.07Å; Y36-I143 HydrophobicContact CE1-CG2 4.08Å |
| 37 | C | 89.3 | Confident | 88.1 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | I33 P34 S35 L40 L41 I143 | I33-C37 PolarHBondContact O-N 3.02Å; I33-C37 PolarHBondContact O-SG 2.94Å; I33-C37 VanDerWaalsContact O-SG 3.36Å; P34-C37 PolarHBondContact O-N 3.27Å; S35-C37 PolarHBondContact O-N 3.27Å; C37-L40 PolarHBondContact O-N 3.29Å; C37-L41 WeakPolarHBondContact O-CG 3.05Å; C37-L41 PolarHBondContact O-N 3.35Å; C37-I143 VanDerWaalsContact SG-CD1 3.58Å |
| 38 | L | 88.3 | Confident | 87.9 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 179.5 | -70 | 169.5 | 0 | 0 | 0 | 112 | P34 S35 Y36 L40 L41 L42 W361 L365 | P34-L38 WeakPolarHBondContact O-CB 3.36Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.48Å; P34-L38 PolarHBondContact O-N 2.9Å; S35-L38 PolarHBondContact O-N 2.85Å; Y36-L38 PolarHBondContact O-N 2.92Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.85Å; L38-L41 HydrophobicContact CD2-CD1 4.49Å; L38-L41 PolarHBondContact O-N 3.36Å; L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 PolarHBondContact O-N 2.95Å; L38-W361 HydrophobicContact CB-CD2 3.79Å; L38-W361 HydrophobicContact CB-CE3 4.1Å; L38-W361 HydrophobicContact CB-CG 4.34Å; L38-W361 HydrophobicContact CB-CH2 4.06Å; L38-W361 HydrophobicContact CB-CZ2 3.74Å; L38-W361 HydrophobicContact CB-CZ3 4.23Å; L38-W361 HydrophobicContact CD1-CB 3.84Å; L38-W361 HydrophobicContact CD1-CD2 3.65Å; L38-W361 HydrophobicContact CD1-CE3 3.84Å; L38-W361 HydrophobicContact CD1-CG 3.65Å; L38-W361 HydrophobicContact CG-CD2 4.33Å; L38-W361 HydrophobicContact CG-CE3 4.43Å; L38-L365 HydrophobicContact CD1-CD1 4.19Å |
| 39 | Y | 89.3 | Confident | 87.8 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 172.9 | -76 | -55.1 | 0 | 0 | 0 | 111.6 | S35 Y36 L41 L42 L43 M61 F353 S357 M360 W361 | S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.6Å; Y36-Y39 PolarHBondContact O-N 3.42Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 3.38Å; Y39-L42 PolarHBondContact O-N 3.02Å; Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 WeakPolarHBondContact O-CG 3.11Å; Y39-L43 PolarHBondContact O-N 3Å; Y39-M61 HydrophobicContact CD2-SD 4.4Å; Y39-M61 HydrophobicContact CG-SD 4.4Å; Y39-F353 HydrophobicContact CE2-CE1 4.3Å; Y39-F353 HydrophobicContact CE2-CZ 4.36Å; Y39-S357 VanDerWaalsContact OH-CB 3.28Å; Y39-S357 WeakPolarHBondContact OH-CB 3.21Å; Y39-S357 PolarHBondContact OH-OG 3.02Å; Y39-M360 HydrophobicContact CE1-CE 4Å; Y39-M360 VanDerWaalsContact OH-CE 3.31Å; Y39-M360 WeakPolarHBondContact OH-CE 3.38Å; Y39-W361 AromaticContact CD1-CZ2 3.84Å; Y39-W361 HydrophobicContact CD1-CZ2 3.84Å; Y39-W361 AromaticContact CD1-NE1 3.91Å; Y39-W361 AromaticContact CD2-NE1 3.92Å; Y39-W361 HydrophobicContact CE1-CZ2 4.03Å; Y39-W361 AromaticContact CE1-NE1 3.64Å; Y39-W361 AromaticContact CE2-NE1 3.67Å; Y39-W361 HydrophobicContact CG-CZ2 4.4Å; Y39-W361 AromaticContact CZ-NE1 3.52Å |
| 40 | L | 87.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.1 | -27.6 | 178.7 | -69.6 | 178.9 | 0 | 0 | 0 | 113.7 | Y36 C37 L38 Q44 F54 E58 M61 I143 | Y36-L40 HydrophobicContact CD1-CD1 4.14Å; Y36-L40 HydrophobicContact CD2-CD1 4.3Å; Y36-L40 HydrophobicContact CE1-CD1 3.54Å; Y36-L40 HydrophobicContact CE2-CD1 3.73Å; Y36-L40 HydrophobicContact CE2-CG 4.39Å; Y36-L40 HydrophobicContact CG-CD1 4.5Å; Y36-L40 WeakPolarHBondContact O-CG 3.27Å; Y36-L40 PolarHBondContact O-N 3.18Å; Y36-L40 VanDerWaalsContact O-N 3.08Å; C37-L40 PolarHBondContact O-N 3.29Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.85Å; L40-Q44 WeakPolarHBondContact O-CG 3.45Å; L40-Q44 PolarHBondContact O-N 2.73Å; L40-Q44 PolarHBondContact O-NE2 2.88Å; L40-F54 HydrophobicContact CD2-CE2 3.99Å; L40-F54 HydrophobicContact CD2-CZ 3.79Å; L40-E58 HydrophobicContact CD1-CG 4.09Å; L40-E58 HydrophobicContact CD2-CB 3.97Å; L40-E58 HydrophobicContact CD2-CG 3.91Å; L40-M61 HydrophobicContact CD2-CE 3.35Å; L40-M61 HydrophobicContact CG-CE 3.78Å; L40-I143 HydrophobicContact CD1-CG2 3.29Å |
| 41 | L | 88.1 | Confident | 87.6 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.8 | -45.2 | 169.8 | -72.8 | 172.1 | 0 | 0 | 0 | 111.1 | C37 L38 Y39 L43 Q44 | C37-L41 WeakPolarHBondContact O-CG 3.05Å; C37-L41 PolarHBondContact O-N 3.35Å; L38-L41 HydrophobicContact CD2-CD1 4.49Å; L38-L41 PolarHBondContact O-N 3.36Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 3.38Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.24Å; L41-Q44 WeakPolarHBondContact O-CB 3.35Å; L41-Q44 WeakPolarHBondContact O-CG 3.3Å; L41-Q44 PolarHBondContact O-N 2.92Å |
| 42 | L | 88.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 60% | 0.597 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.9 | -36 | 176.7 | -172.4 | 73.4 | 0 | 0 | 0 | 111.9 | L38 Y39 Q44 P45 W361 | L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 PolarHBondContact O-N 2.95Å; Y39-L42 PolarHBondContact O-N 3.02Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 2.79Å; L42-P45 WeakPolarHBondContact O-CD 3.44Å; L42-W361 HydrophobicContact CB-CH2 4.36Å; L42-W361 HydrophobicContact CD2-CH2 4.22Å; L42-W361 HydrophobicContact CD2-CZ2 4.43Å |
| 43 | L | 89.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.4 | -179.5 | -66.3 | 171.5 | 0 | 0 | 0 | 114 | Y39 L41 P45 L46 R47 F54 I57 M61 | Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 WeakPolarHBondContact O-CG 3.11Å; Y39-L43 PolarHBondContact O-N 3Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.24Å; L43-P45 VanDerWaalsContact C-CD 3.44Å; L43-L46 HydrophobicContact CD2-CD2 4.12Å; L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-L46 VanDerWaalsContact O-N 3.11Å; L43-R47 PolarHBondContact O-N 3.18Å; L43-F54 HydrophobicContact CB-CD2 3.95Å; L43-F54 HydrophobicContact CB-CE2 3.84Å; L43-F54 WeakPolarHBondContact O-CD2 3.18Å; L43-I57 HydrophobicContact CD1-CG2 3.81Å; L43-M61 HydrophobicContact CD1-CE 4.4Å |
| 44 | Q | 88.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 176 | -70.4 | -57 | -48.8 | 0 | 0 | 114.5 | L40 L41 L42 L46 R47 I48 | L40-Q44 WeakPolarHBondContact O-CG 3.45Å; L40-Q44 PolarHBondContact O-N 2.73Å; L40-Q44 PolarHBondContact O-NE2 2.88Å; L41-Q44 WeakPolarHBondContact O-CB 3.35Å; L41-Q44 WeakPolarHBondContact O-CG 3.3Å; L41-Q44 PolarHBondContact O-N 2.92Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 2.79Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; Q44-R47 VanDerWaalsContact O-CB 3.25Å; Q44-R47 WeakPolarHBondContact O-CB 3.38Å; Q44-R47 PolarHBondContact O-N 3.1Å; Q44-R47 VanDerWaalsContact O-N 3.13Å; Q44-I48 PolarHBondContact O-N 2.88Å |
| 45 | P | 86.6 | Confident | 87.1 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -37.4 | 174.5 | -23.1 | 35.1 | 0 | 0 | 0 | 112.3 | L42 L43 R47 I48 W49 | L42-P45 WeakPolarHBondContact O-CD 3.44Å; L43-P45 VanDerWaalsContact C-CD 3.44Å; P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 2.67Å; P45-I48 PolarHBondContact O-N 3.41Å; P45-I48 VanDerWaalsContact O-N 3.15Å; P45-W49 PolarHBondContact O-N 2.85Å |
| 46 | L | 85.8 | Confident | 87.1 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 29% | 0.288 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 175.8 | -177.1 | 64.5 | 0 | 0 | 0 | 111.2 | L43 Q44 I48 W49 D50 I57 | L43-L46 HydrophobicContact CD2-CD2 4.12Å; L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-L46 VanDerWaalsContact O-N 3.11Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; L46-I48 PolarHBondContact O-N 3.49Å; L46-W49 PolarHBondContact O-N 3.11Å; L46-D50 HydrophobicContact CD1-CB 4.39Å; L46-D50 CarbonylContact O-C 3.55Å; L46-D50 VanDerWaalsContact O-C 3.25Å; L46-D50 WeakPolarHBondContact O-CA 3.32Å; L46-D50 PolarHBondContact O-N 3.3Å; L46-D50 VanDerWaalsContact O-O 3.11Å; L46-I57 HydrophobicContact CD2-CD1 3.67Å |
| 47 | R | 83.6 | Confident | 87 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -33.2 | 175.5 | -172.8 | -177.2 | 172.7 | -172.4 | -0.2 | 113.2 | L43 Q44 P45 F54 | L43-R47 PolarHBondContact O-N 3.18Å; Q44-R47 VanDerWaalsContact O-CB 3.25Å; Q44-R47 WeakPolarHBondContact O-CB 3.38Å; Q44-R47 PolarHBondContact O-N 3.1Å; Q44-R47 VanDerWaalsContact O-N 3.13Å; P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 2.67Å; R47-F54 HydrophobicContact CB-CB 4.2Å; R47-F54 HydrophobicContact CB-CD1 4.15Å; R47-F54 HydrophobicContact CB-CD2 3.81Å; R47-F54 HydrophobicContact CB-CE2 4.21Å; R47-F54 HydrophobicContact CB-CG 3.77Å; R47-F54 HydrophobicContact CG-CD1 3.96Å; R47-F54 HydrophobicContact CG-CE1 4.3Å; R47-F54 HydrophobicContact CG-CG 4.08Å |
| 48 | I | 84.7 | Confident | 87.1 | Confident | 156 Ų | 156 | 71.2 Ų | 71.2 | 80% | 0.8 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -77.5 | -39.1 | 179.7 | -60.8 | 169.7 | 0 | 0 | 0 | 110.4 | Q44 P45 L46 | Q44-I48 PolarHBondContact O-N 2.88Å; P45-I48 PolarHBondContact O-N 3.41Å; P45-I48 VanDerWaalsContact O-N 3.15Å; L46-I48 PolarHBondContact O-N 3.49Å |
| 49 | W | 85.4 | Confident | 87.1 | Confident | 240 Ų | 240 | 69.4 Ų | 69.4 | 91% | 0.909 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -77.4 | -54.1 | -179.3 | -165.9 | -33.1 | 0 | 0 | 0 | 111.9 | P45 L46 | P45-W49 PolarHBondContact O-N 2.85Å; L46-W49 PolarHBondContact O-N 3.11Å |
| 50 | D | 85.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | trans | -136.4 | 89.6 | -178.9 | -173 | -10.5 | 0 | 0 | 0 | 110.3 | L46 S52 A53 F54 | L46-D50 HydrophobicContact CD1-CB 4.39Å; L46-D50 CarbonylContact O-C 3.55Å; L46-D50 VanDerWaalsContact O-C 3.25Å; L46-D50 WeakPolarHBondContact O-CA 3.32Å; L46-D50 PolarHBondContact O-N 3.3Å; L46-D50 VanDerWaalsContact O-O 3.11Å; D50-S52 PolarHBondContact O-N 2.93Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3.47Å; D50-A53 HydrophobicContact CB-CB 4.06Å; D50-A53 VanDerWaalsContact CG-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.35Å; D50-A53 PolarHBondContact OD1-N 3.07Å; D50-A53 WeakPolarHBondContact OD2-CB 3.49Å; D50-F54 PolarHBondContact O-N 3.44Å; D50-F54 VanDerWaalsContact O-N 3.13Å | ||
| 51 | S | 84.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59 | -33.1 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | F54 W55 | S51-F54 PolarHBondContact O-N 2.92Å; S51-W55 PolarHBondContact O-N 2.88Å; S51-W55 VanDerWaalsContact O-N 3.14Å; S51-W55 PolarHBondContact OG-NE1 3.06Å; S51-W55 VanDerWaalsContact OG-NE1 3.13Å |
| 52 | S | 83.8 | Confident | 87.5 | Confident | 86 Ų | 86 | 64 Ų | 64 | 60% | 0.601 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.5 | -46.5 | -178.1 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | D50 F54 W55 H56 | D50-S52 PolarHBondContact O-N 2.93Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3.47Å; S52-F54 VanDerWaalsContact C-N 3.31Å; S52-F54 PolarHBondContact O-N 3.31Å; S52-W55 PolarHBondContact O-N 3.1Å; S52-H56 WeakPolarHBondContact O-CB 3.21Å; S52-H56 PolarHBondContact O-N 3.18Å |
| 53 | A | 86.1 | Confident | 87.6 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 24% | 0.24 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D50 H56 I57 | D50-A53 HydrophobicContact CB-CB 4.06Å; D50-A53 VanDerWaalsContact CG-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.35Å; D50-A53 PolarHBondContact OD1-N 3.07Å; D50-A53 WeakPolarHBondContact OD2-CB 3.49Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 PolarHBondContact O-N 3.07Å; A53-I57 VanDerWaalsContact O-CG1 3.3Å; A53-I57 WeakPolarHBondContact O-CG1 3.39Å; A53-I57 PolarHBondContact O-N 2.91Å |
| 54 | F | 88.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 176.5 | 177.8 | -92.3 | 0 | 0 | 0 | 112.2 | L40 L43 R47 D50 S51 S52 H56 I57 E58 | L40-F54 HydrophobicContact CD2-CE2 3.99Å; L40-F54 HydrophobicContact CD2-CZ 3.79Å; L43-F54 HydrophobicContact CB-CD2 3.95Å; L43-F54 HydrophobicContact CB-CE2 3.84Å; L43-F54 WeakPolarHBondContact O-CD2 3.18Å; R47-F54 HydrophobicContact CB-CB 4.2Å; R47-F54 HydrophobicContact CB-CD1 4.15Å; R47-F54 HydrophobicContact CB-CD2 3.81Å; R47-F54 HydrophobicContact CB-CE2 4.21Å; R47-F54 HydrophobicContact CB-CG 3.77Å; R47-F54 HydrophobicContact CG-CD1 3.96Å; R47-F54 HydrophobicContact CG-CE1 4.3Å; R47-F54 HydrophobicContact CG-CG 4.08Å; D50-F54 PolarHBondContact O-N 3.44Å; D50-F54 VanDerWaalsContact O-N 3.13Å; S51-F54 PolarHBondContact O-N 2.92Å; S52-F54 VanDerWaalsContact C-N 3.31Å; S52-F54 PolarHBondContact O-N 3.31Å; F54-H56 VanDerWaalsContact C-N 3.29Å; F54-H56 PolarHBondContact O-N 2.86Å; F54-I57 PolarHBondContact O-N 3.21Å; F54-E58 WeakPolarHBondContact O-CB 3.27Å; F54-E58 PolarHBondContact O-N 2.93Å |
| 55 | W | 87.1 | Confident | 87.9 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -29.7 | 179 | -63.1 | 120.8 | 0 | 0 | 0 | 112.6 | S51 S52 E58 G59 S174 R175 | S51-W55 PolarHBondContact O-N 2.88Å; S51-W55 VanDerWaalsContact O-N 3.14Å; S51-W55 PolarHBondContact OG-NE1 3.06Å; S51-W55 VanDerWaalsContact OG-NE1 3.13Å; S52-W55 PolarHBondContact O-N 3.1Å; W55-E58 HydrophobicContact CE3-CB 4.38Å; W55-E58 HydrophobicContact CE3-CG 4.36Å; W55-E58 HydrophobicContact CZ3-CG 4.48Å; W55-G59 PolarHBondContact O-N 3.3Å; W55-S174 VanDerWaalsContact CD1-O 3.24Å; W55-S174 PolarHBondContact NE1-O 2.94Å; W55-R175 HydrophobicContact CD2-CB 3.98Å; W55-R175 HydrophobicContact CD2-CG 3.89Å; W55-R175 HydrophobicContact CE3-CB 4.14Å; W55-R175 HydrophobicContact CE3-CG 4.03Å; W55-R175 HydrophobicContact CG-CB 4.28Å; W55-R175 HydrophobicContact CH2-CG 3.95Å; W55-R175 HydrophobicContact CZ2-CG 3.79Å; W55-R175 HydrophobicContact CZ3-CG 4.06Å |
| 56 | H | 88.3 | Confident | 88.1 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 171.7 | -172.6 | 94.5 | 0 | 0 | 0 | 111.5 | S52 A53 F54 G59 V60 R122 | S52-H56 WeakPolarHBondContact O-CB 3.21Å; S52-H56 PolarHBondContact O-N 3.18Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 PolarHBondContact O-N 3.07Å; F54-H56 VanDerWaalsContact C-N 3.29Å; F54-H56 PolarHBondContact O-N 2.86Å; H56-G59 PolarHBondContact O-N 2.59Å; H56-V60 WeakPolarHBondContact O-CG2 3.36Å; H56-V60 PolarHBondContact O-N 3.2Å; H56-V60 VanDerWaalsContact O-N 3.09Å; H56-R122 PolarHBondContact CD2-NH2 2.83Å; H56-R122 PolarHBondContact CE1-NH1 3.32Å; H56-R122 PolarHBondContact CE1-NH2 2.91Å; H56-R122 PolarHBondContact ND1-NH2 3.14Å; H56-R122 PolarHBondContact NE2-NH2 3.23Å; H56-R122 PolarHBondContact O-NH2 2.59Å |
| 57 | I | 88.8 | Confident | 88.3 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 179.7 | -66.4 | 164.6 | 0 | 0 | 0 | 110.5 | L43 L46 A53 F54 G59 V60 M61 | L43-I57 HydrophobicContact CD1-CG2 3.81Å; L46-I57 HydrophobicContact CD2-CD1 3.67Å; A53-I57 VanDerWaalsContact O-CG1 3.3Å; A53-I57 WeakPolarHBondContact O-CG1 3.39Å; A53-I57 PolarHBondContact O-N 2.91Å; F54-I57 PolarHBondContact O-N 3.21Å; I57-G59 VanDerWaalsContact C-N 3.32Å; I57-G59 PolarHBondContact O-N 3.16Å; I57-V60 WeakPolarHBondContact O-CB 3.4Å; I57-V60 PolarHBondContact O-N 3.2Å; I57-V60 VanDerWaalsContact O-N 3.11Å; I57-M61 HydrophobicContact CG2-CE 4.01Å; I57-M61 HydrophobicContact CG2-SD 4.43Å; I57-M61 WeakPolarHBondContact O-CG 3.43Å; I57-M61 PolarHBondContact O-N 2.98Å |
| 58 | E | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -46.8 | 175.4 | -174.2 | -81.6 | 158.6 | 0 | 0 | 111.3 | Y36 L40 F54 W55 V60 M61 F62 H144 R177 | Y36-E58 PolarHBondContact OH-OE1 3.35Å; L40-E58 HydrophobicContact CD1-CG 4.09Å; L40-E58 HydrophobicContact CD2-CB 3.97Å; L40-E58 HydrophobicContact CD2-CG 3.91Å; F54-E58 WeakPolarHBondContact O-CB 3.27Å; F54-E58 PolarHBondContact O-N 2.93Å; W55-E58 HydrophobicContact CE3-CB 4.38Å; W55-E58 HydrophobicContact CE3-CG 4.36Å; W55-E58 HydrophobicContact CZ3-CG 4.48Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.08Å; E58-M61 PolarHBondContact O-N 3.07Å; E58-F62 WeakPolarHBondContact O-CB 3.3Å; E58-F62 PolarHBondContact O-N 2.72Å; E58-H144 VanDerWaalsContact CD-ND1 3.35Å; E58-H144 WeakPolarHBondContact OE1-CA 2.71Å; E58-H144 IonicContact OE1-CE1 2.59Å; E58-H144 IonicContact OE1-CG 2.77Å; E58-H144 IonicContact OE1-ND1 3.54Å; E58-H144 PolarHBondContact OE1-ND1 3.27Å; E58-H144 IonicContact OE2-CE1 2.67Å; E58-H144 IonicContact OE2-ND1 2.72Å; E58-H144 PolarHBondContact OE2-ND1 3.36Å; E58-R177 IonicContact OE1-NH2 3.48Å; E58-R177 IonicContact OE2-CZ 3.8Å; E58-R177 IonicContact OE2-NH1 3.18Å; E58-R177 PolarHBondContact OE2-NH1 2.89Å; E58-R177 IonicContact OE2-NH2 3.26Å; E58-R177 PolarHBondContact OE2-NH2 2.85Å |
| 59 | G | 87.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W55 H56 I57 K63 R122 | W55-G59 PolarHBondContact O-N 3.3Å; H56-G59 PolarHBondContact O-N 2.59Å; I57-G59 VanDerWaalsContact C-N 3.32Å; I57-G59 PolarHBondContact O-N 3.16Å; G59-K63 WeakPolarHBondContact O-CB 3.41Å; G59-K63 PolarHBondContact O-N 3.13Å; G59-R122 WeakPolarHBondContact O-CG 3.39Å |
| 60 | V | 90.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -50.5 | 172.5 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | H56 I57 E58 F62 K63 W64 | H56-V60 WeakPolarHBondContact O-CG2 3.36Å; H56-V60 PolarHBondContact O-N 3.2Å; H56-V60 VanDerWaalsContact O-N 3.09Å; I57-V60 WeakPolarHBondContact O-CB 3.4Å; I57-V60 PolarHBondContact O-N 3.2Å; I57-V60 VanDerWaalsContact O-N 3.11Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.08Å; V60-F62 VanDerWaalsContact C-N 3.29Å; V60-F62 PolarHBondContact O-N 2.86Å; V60-K63 WeakPolarHBondContact O-CB 3.32Å; V60-K63 PolarHBondContact O-N 2.74Å; V60-K63 VanDerWaalsContact O-N 3.15Å; V60-W64 HydrophobicContact CG1-CD2 4.15Å; V60-W64 HydrophobicContact CG1-CH2 4.28Å; V60-W64 HydrophobicContact CG1-CZ2 3.49Å; V60-W64 VanDerWaalsContact CG1-CZ2 3.49Å; V60-W64 PolarHBondContact O-N 2.85Å |
| 61 | M | 90.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 9% | 0.094 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | -179.5 | -66.5 | -171.8 | -63 | 0 | 0 | 111.7 | Y36 Y39 L40 L43 I57 E58 W64 L65 | Y36-M61 HydrophobicContact CD2-CB 3.8Å; Y36-M61 HydrophobicContact CD2-CE 4.32Å; Y36-M61 HydrophobicContact CD2-SD 4.45Å; Y36-M61 HydrophobicContact CE2-CB 3.78Å; Y36-M61 HydrophobicContact CE2-CE 4.24Å; Y39-M61 HydrophobicContact CD2-SD 4.4Å; Y39-M61 HydrophobicContact CG-SD 4.4Å; L40-M61 HydrophobicContact CD2-CE 3.35Å; L40-M61 HydrophobicContact CG-CE 3.78Å; L43-M61 HydrophobicContact CD1-CE 4.4Å; I57-M61 HydrophobicContact CG2-CE 4.01Å; I57-M61 HydrophobicContact CG2-SD 4.43Å; I57-M61 WeakPolarHBondContact O-CG 3.43Å; I57-M61 PolarHBondContact O-N 2.98Å; E58-M61 PolarHBondContact O-N 3.07Å; M61-W64 WeakPolarHBondContact O-CB 3.06Å; M61-W64 PolarHBondContact O-N 2.74Å; M61-W64 VanDerWaalsContact O-N 3.17Å; M61-L65 PolarHBondContact O-N 2.94Å |
| 62 | F | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -49.9 | 172.3 | -174.6 | -116.5 | 0 | 0 | 0 | 110.6 | E58 V60 W64 L65 L66 V121 M124 F137 V140 H144 | E58-F62 WeakPolarHBondContact O-CB 3.3Å; E58-F62 PolarHBondContact O-N 2.72Å; V60-F62 VanDerWaalsContact C-N 3.29Å; V60-F62 PolarHBondContact O-N 2.86Å; F62-W64 PolarHBondContact O-N 2.72Å; F62-L65 WeakPolarHBondContact O-CB 3.47Å; F62-L65 PolarHBondContact O-N 2.83Å; F62-L65 VanDerWaalsContact O-N 3.08Å; F62-L66 VanDerWaalsContact C-CD1 3.48Å; F62-L66 HydrophobicContact CB-CD1 4.43Å; F62-L66 HydrophobicContact CD1-CD1 3.19Å; F62-L66 HydrophobicContact CD2-CD1 3.84Å; F62-L66 HydrophobicContact CE1-CD1 3.18Å; F62-L66 HydrophobicContact CE1-CG 4.4Å; F62-L66 HydrophobicContact CE2-CD1 3.81Å; F62-L66 HydrophobicContact CE2-CG 4.49Å; F62-L66 HydrophobicContact CG-CD1 3.54Å; F62-L66 HydrophobicContact CZ-CD1 3.5Å; F62-L66 VanDerWaalsContact CZ-CD1 3.5Å; F62-L66 HydrophobicContact CZ-CD2 4.29Å; F62-L66 HydrophobicContact CZ-CG 4.34Å; F62-L66 WeakPolarHBondContact O-CD1 3.18Å; F62-L66 WeakPolarHBondContact O-CG 3.32Å; F62-L66 PolarHBondContact O-N 2.94Å; F62-V121 WeakPolarHBondContact CD1-O 3.32Å; F62-M124 HydrophobicContact CE1-CE 3.79Å; F62-M124 HydrophobicContact CE1-CG 4.27Å; F62-M124 HydrophobicContact CZ-CE 4.3Å; F62-F137 HydrophobicContact CE2-CE2 4.49Å; F62-V140 HydrophobicContact CD2-CG1 3.64Å; F62-V140 HydrophobicContact CE2-CG1 3.79Å; F62-H144 AromaticContact CD1-CE1 3.15Å; F62-H144 WeakPolarHBondContact CD1-CE1 3.2Å; F62-H144 AromaticContact CD1-ND1 3.54Å; F62-H144 AromaticContact CD1-NE2 3.54Å; F62-H144 HydrophobicContact CD2-CB 4.27Å; F62-H144 AromaticContact CD2-CG 3.96Å; F62-H144 AromaticContact CD2-ND1 3.73Å; F62-H144 AromaticContact CE1-CD2 3.67Å; F62-H144 AromaticContact CE1-CE1 3.54Å; F62-H144 AromaticContact CE1-ND1 3.93Å; F62-H144 AromaticContact CE1-NE2 3.4Å; F62-H144 WeakPolarHBondContact CE1-NE2 3.25Å; F62-H144 HydrophobicContact CE2-CB 4.13Å; F62-H144 AromaticContact CE2-CG 3.9Å; F62-H144 AromaticContact CG-CE1 3.53Å; F62-H144 AromaticContact CG-ND1 3.43Å; F62-H144 WeakPolarHBondContact CG-ND1 3.5Å; F62-H144 HydrophobicContact CZ-CB 4.5Å; F62-H144 AromaticContact CZ-CD2 3.76Å; F62-H144 AromaticContact CZ-CG 3.92Å |
| 63 | K | 91.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 21.5 Ų | 21.5 | 16% | 0.161 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.2 | -35.7 | 174.2 | 178.4 | 171.9 | -174.8 | 171.1 | 0 | 113 | G59 V60 A67 Q115 G118 V121 R122 | G59-K63 WeakPolarHBondContact O-CB 3.41Å; G59-K63 PolarHBondContact O-N 3.13Å; V60-K63 WeakPolarHBondContact O-CB 3.32Å; V60-K63 PolarHBondContact O-N 2.74Å; V60-K63 VanDerWaalsContact O-N 3.15Å; K63-A67 WeakPolarHBondContact O-CB 3.42Å; K63-A67 PolarHBondContact O-N 3.24Å; K63-Q115 WeakPolarHBondContact CE-O 3.44Å; K63-Q115 VanDerWaalsContact CG-NE2 3.32Å; K63-Q115 PolarHBondContact NZ-O 2.99Å; K63-Q115 VanDerWaalsContact NZ-O 3.15Å; K63-Q115 PolarHBondContact O-NE2 3.29Å; K63-G118 PolarHBondContact NZ-O 3.13Å; K63-V121 HydrophobicContact CB-CB 4.47Å; K63-V121 HydrophobicContact CB-CG1 3.95Å; K63-V121 HydrophobicContact CD-CB 4.5Å; K63-V121 HydrophobicContact CG-CB 4.23Å; K63-V121 HydrophobicContact CG-CG1 3.95Å; K63-R122 HydrophobicContact CB-CG 3.83Å; K63-R122 HydrophobicContact CD-CG 3.82Å; K63-R122 HydrophobicContact CG-CG 4.39Å |
| 64 | W | 91.9 | Very high | 89.6 | Confident | 65 Ų | 65 | 23.5 Ų | 23.5 | 25% | 0.246 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.4 | -43.7 | 176.6 | -62.9 | -3.5 | 0 | 0 | 0 | 112 | V60 M61 F62 L66 A67 M68 W346 V350 F353 | V60-W64 HydrophobicContact CG1-CD2 4.15Å; V60-W64 HydrophobicContact CG1-CH2 4.28Å; V60-W64 HydrophobicContact CG1-CZ2 3.49Å; V60-W64 VanDerWaalsContact CG1-CZ2 3.49Å; V60-W64 PolarHBondContact O-N 2.85Å; M61-W64 WeakPolarHBondContact O-CB 3.06Å; M61-W64 PolarHBondContact O-N 2.74Å; M61-W64 VanDerWaalsContact O-N 3.17Å; F62-W64 PolarHBondContact O-N 2.72Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.19Å; W64-A67 VanDerWaalsContact O-CB 3.3Å; W64-A67 WeakPolarHBondContact O-CB 3.28Å; W64-A67 PolarHBondContact O-N 2.97Å; W64-M68 WeakPolarHBondContact O-CG 3.42Å; W64-M68 PolarHBondContact O-N 3.39Å; W64-W346 AromaticContact CD1-CH2 3.67Å; W64-W346 AromaticContact CD1-CZ2 3.34Å; W64-W346 HydrophobicContact CD2-CH2 4.14Å; W64-W346 AromaticContact CE2-CH2 3.52Å; W64-W346 AromaticContact CE2-CZ2 3.95Å; W64-W346 HydrophobicContact CG-CH2 4.2Å; W64-W346 HydrophobicContact CG-CZ2 4.21Å; W64-W346 AromaticContact CZ2-CH2 3.98Å; W64-W346 HydrophobicContact CZ2-CH2 3.98Å; W64-W346 AromaticContact NE1-CH2 3.24Å; W64-W346 AromaticContact NE1-CZ2 3.15Å; W64-V350 HydrophobicContact CB-CG1 3.91Å; W64-V350 HydrophobicContact CB-CG2 4.48Å; W64-V350 HydrophobicContact CG-CG2 4.33Å; W64-F353 AromaticContact CE3-CD1 3.96Å; W64-F353 HydrophobicContact CE3-CD1 3.96Å; W64-F353 HydrophobicContact CE3-CE1 4.04Å; W64-F353 AromaticContact CZ3-CD1 3.68Å; W64-F353 HydrophobicContact CZ3-CD1 3.68Å; W64-F353 AromaticContact CZ3-CE1 3.52Å; W64-F353 HydrophobicContact CZ3-CE1 3.52Å; W64-F353 HydrophobicContact CZ3-CG 4.33Å; W64-F353 HydrophobicContact CZ3-CZ 4.03Å |
| 65 | L | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 12% | 0.115 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 175 | -70.8 | 172.5 | 0 | 0 | 0 | 111.7 | A32 Y36 M61 F62 A67 M68 V69 V140 | A32-L65 HydrophobicContact CB-CD2 3.81Å; Y36-L65 HydrophobicContact CD1-CD1 4.02Å; Y36-L65 HydrophobicContact CD2-CD1 3.64Å; Y36-L65 HydrophobicContact CE1-CD1 4.35Å; Y36-L65 HydrophobicContact CE2-CD1 3.99Å; Y36-L65 HydrophobicContact CG-CD1 3.63Å; M61-L65 PolarHBondContact O-N 2.94Å; F62-L65 WeakPolarHBondContact O-CB 3.47Å; F62-L65 PolarHBondContact O-N 2.83Å; F62-L65 VanDerWaalsContact O-N 3.08Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.28Å; L65-M68 HydrophobicContact CD2-SD 4.35Å; L65-M68 WeakPolarHBondContact O-CB 3.47Å; L65-M68 PolarHBondContact O-N 2.98Å; L65-V69 PolarHBondContact O-N 2.89Å; L65-V140 HydrophobicContact CD1-CG1 3.68Å; L65-V140 HydrophobicContact CD1-CG2 3.96Å |
| 66 | L | 91.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 177.1 | -67.1 | 135.5 | 0 | 0 | 0 | 112.3 | F62 W64 M68 V69 S70 M111 V121 M124 F137 | F62-L66 VanDerWaalsContact C-CD1 3.48Å; F62-L66 HydrophobicContact CB-CD1 4.43Å; F62-L66 HydrophobicContact CD1-CD1 3.19Å; F62-L66 HydrophobicContact CD2-CD1 3.84Å; F62-L66 HydrophobicContact CE1-CD1 3.18Å; F62-L66 HydrophobicContact CE1-CG 4.4Å; F62-L66 HydrophobicContact CE2-CD1 3.81Å; F62-L66 HydrophobicContact CE2-CG 4.49Å; F62-L66 HydrophobicContact CG-CD1 3.54Å; F62-L66 HydrophobicContact CZ-CD1 3.5Å; F62-L66 VanDerWaalsContact CZ-CD1 3.5Å; F62-L66 HydrophobicContact CZ-CD2 4.29Å; F62-L66 HydrophobicContact CZ-CG 4.34Å; F62-L66 WeakPolarHBondContact O-CD1 3.18Å; F62-L66 WeakPolarHBondContact O-CG 3.32Å; F62-L66 PolarHBondContact O-N 2.94Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.19Å; L66-M68 VanDerWaalsContact C-N 3.29Å; L66-M68 PolarHBondContact O-N 3.31Å; L66-V69 PolarHBondContact O-N 3.44Å; L66-S70 WeakPolarHBondContact O-CB 3.48Å; L66-S70 PolarHBondContact O-N 3.01Å; L66-S70 PolarHBondContact O-OG 3.01Å; L66-M111 HydrophobicContact CD2-CB 4.11Å; L66-M111 HydrophobicContact CD2-CE 3.53Å; L66-M111 HydrophobicContact CD2-CG 3.41Å; L66-M111 VanDerWaalsContact CD2-CG 3.41Å; L66-M111 HydrophobicContact CD2-SD 3.68Å; L66-V121 HydrophobicContact CB-CG1 3.92Å; L66-V121 HydrophobicContact CD1-CG1 3.45Å; L66-V121 VanDerWaalsContact CD1-CG1 3.45Å; L66-V121 HydrophobicContact CG-CG1 4.19Å; L66-M124 HydrophobicContact CD1-CE 3.72Å; L66-M124 HydrophobicContact CD2-CE 3.55Å; L66-M124 HydrophobicContact CG-CE 4.26Å; L66-F137 HydrophobicContact CD2-CE2 4.36Å |
| 67 | A | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K63 W64 L65 S70 S71 Q115 L347 | K63-A67 WeakPolarHBondContact O-CB 3.42Å; K63-A67 PolarHBondContact O-N 3.24Å; W64-A67 VanDerWaalsContact O-CB 3.3Å; W64-A67 WeakPolarHBondContact O-CB 3.28Å; W64-A67 PolarHBondContact O-N 2.97Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.28Å; A67-S70 WeakPolarHBondContact O-CB 3.29Å; A67-S70 PolarHBondContact O-N 3Å; A67-S71 PolarHBondContact O-N 3.06Å; A67-Q115 VanDerWaalsContact CB-NE2 3.35Å; A67-L347 HydrophobicContact CB-CD2 3.88Å |
| 68 | M | 90 | Very high | 89.4 | Confident | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.9 | -62.4 | 174.2 | -163.6 | 0 | 0 | 111.4 | N28 A32 W64 L65 L66 S70 S71 W72 V350 A354 | N28-M68 PolarHBondContact ND2-SD 3.11Å; A32-M68 HydrophobicContact CB-CE 4.19Å; A32-M68 HydrophobicContact CB-SD 3.74Å; W64-M68 WeakPolarHBondContact O-CG 3.42Å; W64-M68 PolarHBondContact O-N 3.39Å; L65-M68 HydrophobicContact CD2-SD 4.35Å; L65-M68 WeakPolarHBondContact O-CB 3.47Å; L65-M68 PolarHBondContact O-N 2.98Å; L66-M68 VanDerWaalsContact C-N 3.29Å; L66-M68 PolarHBondContact O-N 3.31Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.97Å; M68-S71 WeakPolarHBondContact O-CB 3.46Å; M68-S71 PolarHBondContact O-N 3.28Å; M68-S71 PolarHBondContact O-OG 2.81Å; M68-W72 VanDerWaalsContact O-CD1 3.24Å; M68-W72 PolarHBondContact O-N 2.84Å; M68-W72 PolarHBondContact O-NE1 3.36Å; M68-V350 HydrophobicContact CE-CG1 3.42Å; M68-V350 VanDerWaalsContact CE-CG1 3.42Å; M68-V350 HydrophobicContact CG-CG1 3.83Å; M68-A354 HydrophobicContact CE-CB 3.37Å; M68-A354 HydrophobicContact SD-CB 4.27Å |
| 69 | V | 89.7 | Confident | 89.3 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.5 | 179 | 0 | 0 | 0 | 0 | 110.6 | L65 L66 S71 W72 M111 | L65-V69 PolarHBondContact O-N 2.89Å; L66-V69 PolarHBondContact O-N 3.44Å; V69-S71 VanDerWaalsContact C-N 3.29Å; V69-S71 PolarHBondContact O-N 2.65Å; V69-W72 HydrophobicContact CB-CE3 4.32Å; V69-W72 HydrophobicContact CB-CH2 4.44Å; V69-W72 HydrophobicContact CB-CZ3 4.19Å; V69-W72 HydrophobicContact CG1-CE3 3.95Å; V69-W72 HydrophobicContact CG1-CZ3 3.89Å; V69-W72 HydrophobicContact CG2-CH2 3.79Å; V69-W72 HydrophobicContact CG2-CZ2 4.28Å; V69-W72 HydrophobicContact CG2-CZ3 3.93Å; V69-W72 WeakPolarHBondContact O-CB 3.35Å; V69-W72 PolarHBondContact O-N 3.3Å; V69-W72 VanDerWaalsContact O-N 3.17Å; V69-M111 HydrophobicContact CB-SD 4.32Å; V69-M111 HydrophobicContact CG1-SD 3.87Å |
| 70 | S | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | L66 A67 M68 W72 G73 W74 M111 M112 | L66-S70 WeakPolarHBondContact O-CB 3.48Å; L66-S70 PolarHBondContact O-N 3.01Å; L66-S70 PolarHBondContact O-OG 3.01Å; A67-S70 WeakPolarHBondContact O-CB 3.29Å; A67-S70 PolarHBondContact O-N 3Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.97Å; S70-W72 PolarHBondContact O-N 3.18Å; S70-G73 PolarHBondContact O-N 3.33Å; S70-W74 PolarHBondContact O-N 3.18Å; S70-W74 VanDerWaalsContact O-N 3.11Å; S70-M111 VanDerWaalsContact OG-C 3.29Å; S70-M111 PolarHBondContact OG-O 3.1Å; S70-M112 WeakPolarHBondContact OG-CA 3.26Å; S70-M112 PolarHBondContact OG-N 2.89Å |
| 71 | S | 89.1 | Confident | 89.4 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -28.8 | 178 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | A67 M68 V69 G73 W74 I75 Q351 | A67-S71 PolarHBondContact O-N 3.06Å; M68-S71 WeakPolarHBondContact O-CB 3.46Å; M68-S71 PolarHBondContact O-N 3.28Å; M68-S71 PolarHBondContact O-OG 2.81Å; V69-S71 VanDerWaalsContact C-N 3.29Å; V69-S71 PolarHBondContact O-N 2.65Å; S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 3.41Å; S71-W74 PolarHBondContact O-N 3.33Å; S71-I75 WeakPolarHBondContact O-CB 3.45Å; S71-I75 WeakPolarHBondContact O-CD1 3.24Å; S71-I75 VanDerWaalsContact O-CG1 3.22Å; S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 2.86Å; S71-Q351 PolarHBondContact OG-NE2 3.29Å |
| 72 | W | 88.5 | Confident | 89.5 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.2 | -54.6 | -21.2 | 0 | 0 | 0 | 111.6 | R21 M25 N29 M68 V69 S70 A76 I274 | R21-W72 PolarHBondContact NH2-O 3.02Å; M25-W72 HydrophobicContact CG-CD2 4Å; M25-W72 HydrophobicContact CG-CE3 4.24Å; M25-W72 HydrophobicContact CG-CH2 3.84Å; M25-W72 HydrophobicContact CG-CZ2 3.57Å; M25-W72 HydrophobicContact CG-CZ3 4.16Å; M25-W72 HydrophobicContact SD-CH2 4.34Å; M25-W72 HydrophobicContact SD-CZ2 4.49Å; N29-W72 WeakPolarHBondContact ND2-CH2 3.46Å; N29-W72 WeakPolarHBondContact ND2-CZ2 3.04Å; M68-W72 VanDerWaalsContact O-CD1 3.24Å; M68-W72 PolarHBondContact O-N 2.84Å; M68-W72 PolarHBondContact O-NE1 3.36Å; V69-W72 HydrophobicContact CB-CE3 4.32Å; V69-W72 HydrophobicContact CB-CH2 4.44Å; V69-W72 HydrophobicContact CB-CZ3 4.19Å; V69-W72 HydrophobicContact CG1-CE3 3.95Å; V69-W72 HydrophobicContact CG1-CZ3 3.89Å; V69-W72 HydrophobicContact CG2-CH2 3.79Å; V69-W72 HydrophobicContact CG2-CZ2 4.28Å; V69-W72 HydrophobicContact CG2-CZ3 3.93Å; V69-W72 WeakPolarHBondContact O-CB 3.35Å; V69-W72 PolarHBondContact O-N 3.3Å; V69-W72 VanDerWaalsContact O-N 3.17Å; S70-W72 PolarHBondContact O-N 3.18Å; W72-A76 PolarHBondContact O-N 2.92Å; W72-I274 HydrophobicContact CE3-CG1 4.46Å |
| 73 | G | 86.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.4 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S70 S71 I75 A76 G77 Y78 | S70-G73 PolarHBondContact O-N 3.33Å; S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 3.41Å; G73-I75 PolarHBondContact O-N 3.31Å; G73-A76 WeakPolarHBondContact O-CA 3.42Å; G73-A76 WeakPolarHBondContact O-CB 3.3Å; G73-A76 PolarHBondContact O-N 3.06Å; G73-G77 PolarHBondContact O-N 2.86Å; G73-Y78 CarbonylContact C-O 3.56Å; G73-Y78 WeakPolarHBondContact O-CB 3.2Å; G73-Y78 PolarHBondContact O-N 3.39Å |
| 74 | W | 87.4 | Confident | 89.2 | Confident | 70 Ų | 70 | 23.6 Ų | 23.6 | 27% | 0.265 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.8 | -47.8 | -178.4 | -168.3 | -99.4 | 0 | 0 | 0 | 112.8 | S70 S71 A76 G77 T79 M112 M340 T341 L342 | S70-W74 PolarHBondContact O-N 3.18Å; S70-W74 VanDerWaalsContact O-N 3.11Å; S71-W74 PolarHBondContact O-N 3.33Å; W74-A76 PolarHBondContact O-N 3.47Å; W74-G77 PolarHBondContact O-N 3.09Å; W74-T79 HydrophobicContact CE3-CG2 4.07Å; W74-T79 HydrophobicContact CH2-CG2 4.14Å; W74-T79 HydrophobicContact CZ3-CG2 3.73Å; W74-M112 HydrophobicContact CE3-SD 3.96Å; W74-M340 WeakPolarHBondContact CH2-O 3.47Å; W74-M340 HydrophobicContact CZ3-CE 4.43Å; W74-M340 WeakPolarHBondContact CZ3-O 3.35Å; W74-T341 HydrophobicContact CH2-CG2 4.49Å; W74-L342 HydrophobicContact CB-CD1 3.92Å; W74-L342 HydrophobicContact CD2-CB 4.27Å; W74-L342 HydrophobicContact CD2-CD1 4.18Å; W74-L342 HydrophobicContact CD2-CG 4.34Å; W74-L342 HydrophobicContact CE3-CD1 4.21Å; W74-L342 HydrophobicContact CE3-CG 4.22Å; W74-L342 HydrophobicContact CG-CD1 4.06Å |
| 75 | I | 85.8 | Confident | 88.9 | Confident | 114 Ų | 114 | 24 Ų | 24 | 59% | 0.585 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -64.7 | -22.3 | 177.1 | -64.4 | 165.4 | 0 | 0 | 0 | 111.6 | S71 G73 G77 | S71-I75 WeakPolarHBondContact O-CB 3.45Å; S71-I75 WeakPolarHBondContact O-CD1 3.24Å; S71-I75 VanDerWaalsContact O-CG1 3.22Å; S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 2.86Å; G73-I75 PolarHBondContact O-N 3.31Å; I75-G77 VanDerWaalsContact C-N 3.29Å |
| 76 | A | 85.4 | Confident | 88.5 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W72 G73 W74 Y78 | W72-A76 PolarHBondContact O-N 2.92Å; G73-A76 WeakPolarHBondContact O-CA 3.42Å; G73-A76 WeakPolarHBondContact O-CB 3.3Å; G73-A76 PolarHBondContact O-N 3.06Å; W74-A76 PolarHBondContact O-N 3.47Å; A76-Y78 VanDerWaalsContact C-N 3.33Å; A76-Y78 HydrophobicContact CB-CD1 4.23Å; A76-Y78 HydrophobicContact CB-CD2 3.39Å; A76-Y78 HydrophobicContact CB-CE1 4.19Å; A76-Y78 HydrophobicContact CB-CE2 3.31Å; A76-Y78 HydrophobicContact CB-CG 3.84Å |
| 77 | G | 86.1 | Confident | 88.2 | Confident | 25 Ų | 25 | 25.5 Ų | 25.5 | 26% | 0.258 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 23 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G73 W74 I75 P280 T281 | G73-G77 PolarHBondContact O-N 2.86Å; W74-G77 PolarHBondContact O-N 3.09Å; I75-G77 VanDerWaalsContact C-N 3.29Å; G77-P280 CarbonylContact O-C 3.5Å; G77-P280 VanDerWaalsContact O-CA 3.26Å; G77-P280 WeakPolarHBondContact O-CA 3.44Å; G77-P280 WeakPolarHBondContact O-CB 3.36Å; G77-T281 PolarHBondContact O-N 2.83Å; G77-T281 VanDerWaalsContact O-N 3.15Å |
| 78 | Y | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.3 | 166.5 | -50.4 | -38.2 | 0 | 0 | 0 | 108.1 | G73 A76 M112 M268 T272 W273 G276 R278 T281 | G73-Y78 CarbonylContact C-O 3.56Å; G73-Y78 WeakPolarHBondContact O-CB 3.2Å; G73-Y78 PolarHBondContact O-N 3.39Å; A76-Y78 VanDerWaalsContact C-N 3.33Å; A76-Y78 HydrophobicContact CB-CD1 4.23Å; A76-Y78 HydrophobicContact CB-CD2 3.39Å; A76-Y78 HydrophobicContact CB-CE1 4.19Å; A76-Y78 HydrophobicContact CB-CE2 3.31Å; A76-Y78 HydrophobicContact CB-CG 3.84Å; Y78-M112 VanDerWaalsContact O-CE 3.27Å; Y78-M112 WeakPolarHBondContact O-CE 2.99Å; Y78-M268 HydrophobicContact CD1-SD 4.01Å; Y78-M268 HydrophobicContact CD2-SD 4.44Å; Y78-M268 HydrophobicContact CE1-SD 4.28Å; Y78-M268 HydrophobicContact CG-CE 4.44Å; Y78-M268 HydrophobicContact CG-SD 4.11Å; Y78-T272 HydrophobicContact CE2-CG2 4.02Å; Y78-T272 VanDerWaalsContact CE2-O 3.24Å; Y78-T272 WeakPolarHBondContact CE2-O 3.43Å; Y78-T272 VanDerWaalsContact OH-CG2 3.27Å; Y78-T272 WeakPolarHBondContact OH-CG2 3.49Å; Y78-T272 PolarHBondContact OH-O 3.42Å; Y78-W273 HydrophobicContact CD2-CG 4.47Å; Y78-G276 VanDerWaalsContact OH-CA 3.31Å; Y78-G276 WeakPolarHBondContact OH-CA 3.2Å; Y78-R278 HydrophobicContact CE1-CB 4.24Å; Y78-R278 PolarHBondContact OH-N 3.17Å; Y78-R278 PolarHBondContact OH-O 2.86Å; Y78-T281 WeakPolarHBondContact CA-O 3.41Å |
| 79 | T | 89.4 | Confident | 87.5 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 166.7 | -177.9 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | W74 T281 V282 T283 | W74-T79 HydrophobicContact CE3-CG2 4.07Å; W74-T79 HydrophobicContact CH2-CG2 4.14Å; W74-T79 HydrophobicContact CZ3-CG2 3.73Å; T79-T281 PolarHBondContact N-O 2.61Å; T79-V282 WeakPolarHBondContact O-CA 3.5Å; T79-T283 PolarHBondContact O-N 3.01Å |
| 80 | V | 90.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.5 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | E82 T109 M112 C113 T283 V285 M340 | V80-E82 HydrophobicContact CG1-CG 4.42Å; V80-T109 HydrophobicContact CG1-CG2 4.47Å; V80-T109 HydrophobicContact CG2-CG2 3.9Å; V80-M112 HydrophobicContact CG2-CB 4.37Å; V80-M112 HydrophobicContact CG2-CE 3.37Å; V80-M112 HydrophobicContact CG2-SD 4.07Å; V80-C113 HydrophobicContact CG1-CB 4.18Å; V80-T283 CarbonylContact C-O 3.25Å; V80-T283 VanDerWaalsContact CA-O 3.27Å; V80-T283 WeakPolarHBondContact CA-O 3.44Å; V80-V285 HydrophobicContact CG1-CB 4.13Å; V80-V285 HydrophobicContact CG1-CG2 3.53Å; V80-M340 HydrophobicContact CB-CB 4.5Å; V80-M340 HydrophobicContact CB-CE 3.86Å; V80-M340 HydrophobicContact CG2-CE 3.9Å; V80-M340 PolarHBondContact O-N 3.3Å |
| 81 | T | 91.2 | Very high | 86.8 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125 | 166.7 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | W83 V282 T283 H284 V285 R338 | T81-W83 HydrophobicContact CG2-CZ2 3.86Å; T81-W83 VanDerWaalsContact O-CD1 3.24Å; T81-W83 PolarHBondContact O-NE1 2.85Å; T81-V282 WeakPolarHBondContact OG1-CG1 3.13Å; T81-T283 PolarHBondContact N-O 2.78Å; T81-H284 CarbonylContact O-C 3.45Å; T81-H284 VanDerWaalsContact O-CA 3.3Å; T81-H284 WeakPolarHBondContact O-CA 3.47Å; T81-V285 PolarHBondContact O-N 2.84Å; T81-R338 CarbonylContact C-O 3.59Å; T81-R338 WeakPolarHBondContact CA-O 3.48Å |
| 82 | E | 90.5 | Very high | 86.6 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144 | -178.4 | -54.6 | -171.8 | 117.2 | 0 | 0 | 110.7 | V80 K117 V285 Y287 S337 R338 | V80-E82 HydrophobicContact CG1-CG 4.42Å; E82-K117 WeakPolarHBondContact OE1-CE 3.44Å; E82-K117 IonicContact OE1-NZ 3.38Å; E82-K117 PolarHBondContact OE1-NZ 3.42Å; E82-K117 IonicContact OE2-NZ 2.69Å; E82-K117 PolarHBondContact OE2-NZ 3.47Å; E82-K117 VanDerWaalsContact OE2-NZ 3.1Å; E82-V285 CarbonylContact C-O 3.52Å; E82-V285 VanDerWaalsContact CA-O 3.27Å; E82-V285 WeakPolarHBondContact CA-O 3.33Å; E82-Y287 HydrophobicContact CB-CE2 4Å; E82-Y287 HydrophobicContact CG-CE2 4.05Å; E82-Y287 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y287 PolarHBondContact OE1-OH 3.11Å; E82-Y287 VanDerWaalsContact OE1-OH 3.12Å; E82-S337 CarbonylContact O-C 3.59Å; E82-S337 WeakPolarHBondContact O-CA 3.47Å; E82-R338 HydrophobicContact CB-CB 4.45Å; E82-R338 PolarHBondContact N-O 2.93Å; E82-R338 PolarHBondContact O-N 3.42Å; E82-R338 IonicContact OE2-NH1 2.9Å |
| 83 | W | 89.6 | Confident | 86.5 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158.8 | -176.8 | -52.9 | 77.2 | 0 | 0 | 0 | 109.8 | T81 H284 V285 H286 Y287 F326 A335 S337 | T81-W83 HydrophobicContact CG2-CZ2 3.86Å; T81-W83 VanDerWaalsContact O-CD1 3.24Å; T81-W83 PolarHBondContact O-NE1 2.85Å; W83-H284 AromaticContact CE2-ND1 3.41Å; W83-H284 AromaticContact CZ2-CE1 3.82Å; W83-H284 AromaticContact CZ2-ND1 3.36Å; W83-H284 WeakPolarHBondContact CZ2-ND1 3.16Å; W83-H284 AromaticContact NE1-CG 3.68Å; W83-H284 AromaticContact NE1-ND1 3.02Å; W83-H284 PolarHBondContact NE1-ND1 3.44Å; W83-V285 PolarHBondContact N-O 2.86Å; W83-H286 HydrophobicContact CB-CB 4.31Å; W83-H286 CarbonylContact O-C 3.58Å; W83-H286 WeakPolarHBondContact O-CA 3.33Å; W83-Y287 PolarHBondContact O-N 2.81Å; W83-F326 HydrophobicContact CB-CD2 3.86Å; W83-F326 HydrophobicContact CB-CE2 4.49Å; W83-F326 AromaticContact CD1-CD2 3.56Å; W83-F326 AromaticContact CD1-CE2 3.78Å; W83-F326 HydrophobicContact CD2-CB 4.41Å; W83-F326 AromaticContact CD2-CD2 3.82Å; W83-F326 HydrophobicContact CD2-CD2 3.82Å; W83-F326 HydrophobicContact CE3-CB 4.31Å; W83-F326 AromaticContact CG-CD2 3.47Å; W83-F326 HydrophobicContact CG-CD2 3.47Å; W83-F326 VanDerWaalsContact CG-CD2 3.47Å; W83-F326 HydrophobicContact CG-CE2 4.11Å; W83-F326 HydrophobicContact CG-CG 4.42Å; W83-F326 AromaticContact NE1-CD2 3.98Å; W83-A335 HydrophobicContact CE3-CB 3.69Å; W83-A335 HydrophobicContact CZ3-CB 3.76Å; W83-A335 WeakPolarHBondContact CZ3-O 3.24Å; W83-S337 VanDerWaalsContact CH2-CB 3.45Å; W83-S337 VanDerWaalsContact CZ3-CB 3.46Å |
| 84 | G | 86.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.3 | -140.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 85 | D | 85.8 | Confident | 86.8 | Confident | 72 Ų | 72 | 40.4 Ų | 40.4 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -72.4 | 151.5 | -170.8 | -64.5 | -23.1 | 0 | 0 | 0 | 113.5 | V87 Y287 R288 M289 | D85-V87 PolarHBondContact O-N 3.32Å; D85-Y287 PolarHBondContact N-O 2.84Å; D85-Y287 WeakPolarHBondContact O-CB 3.2Å; D85-R288 WeakPolarHBondContact OD2-CA 3.28Å; D85-M289 HydrophobicContact CB-CE 3.82Å; D85-M289 HydrophobicContact CB-CG 3.91Å; D85-M289 HydrophobicContact CB-SD 4.27Å; D85-M289 PolarHBondContact OD2-N 2.88Å |
| 86 | D | 83.9 | Confident | 87.1 | Confident | 56 Ų | 56 | 35 Ų | 35 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | -87.9 | 106 | 175.2 | -165.1 | -8.5 | 0 | 0 | 0 | 112 | R88 | D86-R88 VanDerWaalsContact C-N 3.27Å; D86-R88 PolarHBondContact O-N 3.46Å; D86-R88 VanDerWaalsContact OD1-CB 3.26Å; D86-R88 WeakPolarHBondContact OD1-CB 3.3Å; D86-R88 WeakPolarHBondContact OD1-CG 3.22Å; D86-R88 IonicContact OD1-CZ 3.93Å; D86-R88 PolarHBondContact OD1-N 2.77Å; D86-R88 IonicContact OD1-NE 2.98Å; D86-R88 PolarHBondContact OD1-NE 3.01Å; D86-R88 IonicContact OD2-CZ 3.15Å; D86-R88 IonicContact OD2-NE 2.89Å; D86-R88 PolarHBondContact OD2-NE 3.12Å; D86-R88 IonicContact OD2-NH2 2.63Å; D86-R88 PolarHBondContact OD2-NH2 3.47Å | ||
| 87 | V | 85.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.9 | 179.4 | -72.5 | 0 | 0 | 0 | 0 | 114.3 | D85 D89 I90 K117 W179 I256 Y287 M289 | D85-V87 PolarHBondContact O-N 3.32Å; V87-D89 VanDerWaalsContact C-N 3.33Å; V87-I90 HydrophobicContact CB-CG1 4.5Å; V87-I90 WeakPolarHBondContact O-CG1 3.42Å; V87-K117 HydrophobicContact CB-CD 4.46Å; V87-K117 HydrophobicContact CG2-CD 3.36Å; V87-W179 HydrophobicContact CB-CH2 4.11Å; V87-I256 HydrophobicContact CG1-CD1 4.21Å; V87-I256 HydrophobicContact CG1-CG2 3.9Å; V87-Y287 HydrophobicContact CG1-CD1 3.77Å; V87-Y287 HydrophobicContact CG1-CE1 4.48Å; V87-Y287 HydrophobicContact CG1-CG 4Å; V87-Y287 HydrophobicContact CG2-CD1 4.16Å; V87-Y287 HydrophobicContact CG2-CD2 4.49Å; V87-Y287 HydrophobicContact CG2-CE1 4.19Å; V87-Y287 HydrophobicContact CG2-CG 4.32Å; V87-M289 HydrophobicContact CB-SD 4.45Å; V87-M289 HydrophobicContact CG1-CG 4.12Å; V87-M289 HydrophobicContact CG1-SD 3.82Å |
| 88 | R | 82.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 33.6 Ų | 33.6 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -34.6 | 179.7 | -70.3 | 178.6 | -70.1 | 176.7 | 2.7 | 112.5 | D86 I90 S91 K117 | D86-R88 VanDerWaalsContact C-N 3.27Å; D86-R88 PolarHBondContact O-N 3.46Å; D86-R88 VanDerWaalsContact OD1-CB 3.26Å; D86-R88 WeakPolarHBondContact OD1-CB 3.3Å; D86-R88 WeakPolarHBondContact OD1-CG 3.22Å; D86-R88 IonicContact OD1-CZ 3.93Å; D86-R88 PolarHBondContact OD1-N 2.77Å; D86-R88 IonicContact OD1-NE 2.98Å; D86-R88 PolarHBondContact OD1-NE 3.01Å; D86-R88 IonicContact OD2-CZ 3.15Å; D86-R88 IonicContact OD2-NE 2.89Å; D86-R88 PolarHBondContact OD2-NE 3.12Å; D86-R88 IonicContact OD2-NH2 2.63Å; D86-R88 PolarHBondContact OD2-NH2 3.47Å; R88-I90 VanDerWaalsContact C-N 3.26Å; R88-I90 PolarHBondContact O-N 3.47Å; R88-S91 VanDerWaalsContact O-CB 3.23Å; R88-S91 WeakPolarHBondContact O-CB 3.01Å; R88-S91 PolarHBondContact O-N 3.5Å; R88-S91 PolarHBondContact O-OG 3.46Å; R88-K117 HydrophobicContact CG-CG 4.39Å |
| 89 | D | 82 | Confident | 88.1 | Confident | 134 Ų | 134 | 33.5 Ų | 33.5 | 72% | 0.717 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.4 | -175.5 | -65.1 | -21.4 | 0 | 0 | 0 | 112.1 | V87 | V87-D89 VanDerWaalsContact C-N 3.33Š|
| 90 | I | 84.3 | Confident | 88.4 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14.6 | 178.8 | 61.1 | 164.3 | 0 | 0 | 0 | 113.2 | V87 R88 E92 E93 W179 W254 I256 M289 | V87-I90 HydrophobicContact CB-CG1 4.5Å; V87-I90 WeakPolarHBondContact O-CG1 3.42Å; R88-I90 VanDerWaalsContact C-N 3.26Å; R88-I90 PolarHBondContact O-N 3.47Å; I90-E92 PolarHBondContact O-N 3.13Å; I90-E92 VanDerWaalsContact O-N 3.15Å; I90-E93 HydrophobicContact CB-CB 4.34Å; I90-E93 PolarHBondContact O-N 3.13Å; I90-W179 HydrophobicContact CD1-CZ2 4.24Å; I90-W179 HydrophobicContact CG1-CZ2 4.06Å; I90-W179 PolarHBondContact O-NE1 2.77Å; I90-W254 HydrophobicContact CD1-CB 4.34Å; I90-W254 HydrophobicContact CD1-CG 4.31Å; I90-W254 HydrophobicContact CG2-CD2 4.35Å; I90-W254 HydrophobicContact CG2-CG 4.37Å; I90-W254 HydrophobicContact CG2-CZ2 4.44Å; I90-I256 HydrophobicContact CD1-CD1 3.43Å; I90-I256 VanDerWaalsContact CD1-CD1 3.43Å; I90-I256 HydrophobicContact CD1-CG1 3.73Å; I90-I256 HydrophobicContact CG1-CD1 4.46Å; I90-M289 HydrophobicContact CD1-CG 4.31Å; I90-M289 HydrophobicContact CD1-SD 3.49Å; I90-M289 WeakPolarHBondContact CD1-SD 3.44Å; I90-M289 HydrophobicContact CG1-SD 3.97Å |
| 91 | S | 81.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.9 | -177.6 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | R88 T119 | R88-S91 VanDerWaalsContact O-CB 3.23Å; R88-S91 WeakPolarHBondContact O-CB 3.01Å; R88-S91 PolarHBondContact O-N 3.5Å; R88-S91 PolarHBondContact O-OG 3.46Å; S91-T119 PolarHBondContact O-OG1 3.29Å |
| 92 | E | 83.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 32.7 Ų | 32.7 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.5 | 175.7 | -67.9 | -66.9 | 173.7 | 0 | 0 | 113.6 | I90 T119 K123 K178 | I90-E92 PolarHBondContact O-N 3.13Å; I90-E92 VanDerWaalsContact O-N 3.15Å; E92-T119 VanDerWaalsContact CD-OG1 3.26Å; E92-T119 WeakPolarHBondContact OE1-CG2 3.3Å; E92-T119 PolarHBondContact OE1-OG1 2.76Å; E92-K123 IonicContact OE2-NZ 2.68Å; E92-K178 VanDerWaalsContact O-CD 3.29Å; E92-K178 WeakPolarHBondContact O-CD 3.42Å; E92-K178 WeakPolarHBondContact O-CE 3.49Å; E92-K178 PolarHBondContact O-NZ 3.43Å; E92-K178 IonicContact OE2-NZ 2.95Å; E92-K178 PolarHBondContact OE2-NZ 3.21Å |
| 93 | E | 86.2 | Confident | 88.3 | Confident | 61 Ų | 61 | 32.4 Ų | 32.4 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -97.1 | 156.3 | 178.1 | -59.3 | -167.3 | 179.2 | 0 | 0 | 111.1 | I90 W179 Q253 W254 | I90-E93 HydrophobicContact CB-CB 4.34Å; I90-E93 PolarHBondContact O-N 3.13Å; E93-W179 PolarHBondContact O-NE1 3.11Å; E93-W179 VanDerWaalsContact O-NE1 3.08Å; E93-Q253 PolarHBondContact OE2-OE1 3.14Å; E93-Q253 VanDerWaalsContact OE2-OE1 3.05Å; E93-W254 VanDerWaalsContact OE2-CD1 3.24Å; E93-W254 PolarHBondContact OE2-NE1 3.15Å |
| 94 | E | 89.3 | Confident | 88.2 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | trans | -78.2 | 123.3 | 177.5 | -68.5 | 176.1 | -157.7 | 0 | 0 | 109.6 | H173 K178 S249 G251 L252 Q253 W254 | E94-H173 IonicContact OE1-CE1 3.98Å; E94-K178 CarbonylContact C-O 3.55Å; E94-K178 VanDerWaalsContact CA-O 3.27Å; E94-K178 WeakPolarHBondContact CA-O 3.21Å; E94-K178 HydrophobicContact CG-CB 4.38Å; E94-K178 HydrophobicContact CG-CG 4.37Å; E94-S249 PolarHBondContact OE1-OG 2.84Å; E94-G251 WeakPolarHBondContact CB-O 3.3Å; E94-G251 VanDerWaalsContact OE2-CA 3.27Å; E94-G251 WeakPolarHBondContact OE2-CA 3.5Å; E94-L252 PolarHBondContact OE2-N 3Å; E94-Q253 PolarHBondContact O-N 3.08Å; E94-W254 PolarHBondContact O-N 3.01Å | ||
| 95 | A | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K178 W179 I180 W254 I256 | A95-K178 PolarHBondContact N-O 3.4Å; A95-W179 HydrophobicContact CB-CD2 4.24Å; A95-W179 HydrophobicContact CB-CG 4.32Å; A95-W179 CarbonylContact O-C 3.57Å; A95-W179 VanDerWaalsContact O-CA 3.28Å; A95-W179 WeakPolarHBondContact O-CA 3.47Å; A95-I180 PolarHBondContact O-N 3.39Å; A95-W254 CarbonylContact C-O 3.5Å; A95-W254 VanDerWaalsContact CA-O 3.29Å; A95-W254 WeakPolarHBondContact CA-O 3.39Å; A95-W254 HydrophobicContact CB-CB 4.13Å; A95-I256 HydrophobicContact CB-CD1 3.79Å; A95-I256 HydrophobicContact CB-CG1 4.09Å |
| 96 | M | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.5 | 172.6 | -178.9 | 179.8 | 67.2 | 0 | 0 | 108.8 | I98 L182 T219 I222 L223 L252 W254 V255 I256 | M96-I98 HydrophobicContact CE-CG2 4.25Å; M96-L182 HydrophobicContact CG-CD2 3.36Å; M96-L182 HydrophobicContact SD-CD2 3.85Å; M96-T219 HydrophobicContact CE-CG2 3.58Å; M96-T219 HydrophobicContact SD-CG2 4.05Å; M96-I222 HydrophobicContact CG-CG2 4.2Å; M96-I222 HydrophobicContact SD-CB 4.01Å; M96-I222 HydrophobicContact SD-CD1 4.4Å; M96-I222 HydrophobicContact SD-CG2 3.69Å; M96-L223 HydrophobicContact CE-CD1 4.05Å; M96-L223 HydrophobicContact CE-CD2 3.63Å; M96-L223 HydrophobicContact CE-CG 3.74Å; M96-L223 HydrophobicContact SD-CD2 4.35Å; M96-L223 HydrophobicContact SD-CG 4.21Å; M96-L252 HydrophobicContact CB-CD1 4.09Å; M96-L252 HydrophobicContact CB-CD2 4.28Å; M96-W254 PolarHBondContact N-O 3.18Å; M96-V255 HydrophobicContact CE-CB 4.46Å; M96-V255 HydrophobicContact CE-CG1 3.86Å; M96-V255 HydrophobicContact CE-CG2 3.76Å; M96-V255 CarbonylContact O-C 3.53Å; M96-V255 VanDerWaalsContact O-CA 3.3Å; M96-V255 WeakPolarHBondContact O-CA 3.43Å; M96-I256 PolarHBondContact O-N 2.9Å |
| 97 | V | 94.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.4 | -176.6 | -167.9 | 0 | 0 | 0 | 0 | 110 | V99 W179 I180 V181 L182 I256 V258 | V97-V99 HydrophobicContact CG1-CG2 3.9Å; V97-W179 HydrophobicContact CG2-CD2 4.27Å; V97-W179 HydrophobicContact CG2-CE3 3.51Å; V97-W179 HydrophobicContact CG2-CZ3 4.03Å; V97-I180 PolarHBondContact N-O 3.15Å; V97-V181 HydrophobicContact CB-CG2 4.16Å; V97-V181 HydrophobicContact CG2-CG2 4.27Å; V97-L182 VanDerWaalsContact O-CD2 3.31Å; V97-L182 WeakPolarHBondContact O-CD2 3.41Å; V97-L182 PolarHBondContact O-N 3.3Å; V97-I256 CarbonylContact C-O 3.55Å; V97-I256 VanDerWaalsContact CA-O 3.32Å; V97-I256 WeakPolarHBondContact CA-O 3.37Å; V97-I256 HydrophobicContact CG1-CB 4.35Å; V97-I256 HydrophobicContact CG1-CG2 4.47Å; V97-I256 HydrophobicContact CG2-CB 4.28Å; V97-I256 HydrophobicContact CG2-CD1 4.18Å; V97-V258 HydrophobicContact CG1-CB 4.47Å; V97-V258 HydrophobicContact CG1-CG2 3.49Å; V97-V258 VanDerWaalsContact CG1-CG2 3.49Å |
| 98 | I | 94.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.1 | 175.7 | 57.7 | 170.6 | 0 | 0 | 0 | 109.8 | M96 L182 P184 V255 I256 D257 V258 W305 L306 | M96-I98 HydrophobicContact CE-CG2 4.25Å; I98-L182 HydrophobicContact CG2-CD1 4.37Å; I98-L182 HydrophobicContact CG2-CD2 3.95Å; I98-L182 HydrophobicContact CG2-CG 4.1Å; I98-P184 HydrophobicContact CB-CG 3.9Å; I98-P184 HydrophobicContact CG2-CG 3.85Å; I98-V255 HydrophobicContact CD1-CG1 4.19Å; I98-V255 HydrophobicContact CG1-CG1 4.22Å; I98-I256 PolarHBondContact N-O 3.29Å; I98-D257 HydrophobicContact CD1-CB 4.13Å; I98-D257 HydrophobicContact CG1-CB 4.03Å; I98-D257 WeakPolarHBondContact CG1-OD1 3.22Å; I98-V258 PolarHBondContact O-N 3.08Å; I98-W305 HydrophobicContact CD1-CH2 4.45Å; I98-W305 HydrophobicContact CD1-CZ3 4.29Å; I98-L306 HydrophobicContact CD1-CD1 4Å |
| 99 | V | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.9 | -175 | -159.9 | 0 | 0 | 0 | 0 | 110.6 | V97 L110 V181 L182 F183 P184 V258 I260 | V97-V99 HydrophobicContact CG1-CG2 3.9Å; V99-L110 HydrophobicContact CG1-CD1 4.26Å; V99-L110 HydrophobicContact CG1-CD2 4.49Å; V99-L110 HydrophobicContact CG2-CD1 3.99Å; V99-L110 HydrophobicContact CG2-CD2 4.42Å; V99-V181 HydrophobicContact CG2-CG1 4.03Å; V99-L182 PolarHBondContact N-O 3.08Å; V99-F183 HydrophobicContact CB-CD1 3.82Å; V99-F183 HydrophobicContact CB-CE1 3.71Å; V99-F183 HydrophobicContact CG1-CD1 4.41Å; V99-F183 HydrophobicContact CG1-CE1 3.96Å; V99-F183 HydrophobicContact CG2-CE1 4.38Å; V99-P184 WeakPolarHBondContact O-CD 3.41Å; V99-V258 WeakPolarHBondContact CA-O 3.33Å; V99-V258 HydrophobicContact CB-CB 4.44Å; V99-V258 HydrophobicContact CG1-CB 4.08Å; V99-V258 HydrophobicContact CG1-CG1 4.12Å; V99-V258 HydrophobicContact CG2-CB 4.06Å; V99-V258 HydrophobicContact CG2-CG2 4.48Å; V99-I260 HydrophobicContact CG1-CD1 3.64Å; V99-I260 HydrophobicContact CG1-CG1 3.89Å |
| 100 | N | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -67.6 | 153.9 | 165.2 | 66.8 | -51.7 | 0 | 0 | 0 | 110.1 | E185 V211 V258 T259 I260 K313 | N100-E185 VanDerWaalsContact CA-OE1 3.26Å; N100-E185 WeakPolarHBondContact CA-OE1 3.37Å; N100-E185 WeakPolarHBondContact CB-OE1 3.39Å; N100-V211 HydrophobicContact CB-CG1 4.09Å; N100-V258 PolarHBondContact N-O 3.3Å; N100-V258 PolarHBondContact OD1-O 3.07Å; N100-T259 WeakPolarHBondContact OD1-CA 3.44Å; N100-I260 PolarHBondContact ND2-O 3.44Å; N100-I260 PolarHBondContact OD1-N 3.43Å; N100-K313 HydrophobicContact CB-CD 4.22Å | ||
| 101 | H | 91.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 14 Ų | 14 | 9% | 0.088 | 7% | 0.072 | C | C | . | . | trans | -128.3 | 99.7 | -171.9 | -160.5 | 24.5 | 0 | 0 | 0 | 112.9 | S103 D106 F183 E185 F188 L189 | H101-S103 PolarHBondContact CE1-O 2.93Å; H101-D106 WeakPolarHBondContact CA-OD2 3.42Å; H101-D106 IonicContact CE1-OD2 3.71Å; H101-D106 IonicContact CG-OD2 2.74Å; H101-D106 IonicContact ND1-OD2 2.69Å; H101-D106 PolarHBondContact ND1-OD2 2.94Å; H101-F183 HydrophobicContact CB-CB 4.06Å; H101-F183 HydrophobicContact CB-CD1 3.71Å; H101-F183 HydrophobicContact CB-CG 4.19Å; H101-F183 AromaticContact CG-CD1 3.71Å; H101-F183 AromaticContact CG-CG 3.99Å; H101-F183 AromaticContact ND1-CD1 3.74Å; H101-F183 AromaticContact ND1-CE1 3.89Å; H101-E185 HydrophobicContact CB-CB 4.28Å; H101-E185 PolarHBondContact N-OE1 2.86Å; H101-F188 AromaticContact CD2-CD1 3.78Å; H101-F188 AromaticContact CE1-CD1 3.39Å; H101-F188 WeakPolarHBondContact CE1-CD1 3.46Å; H101-F188 AromaticContact CE1-CE1 3.24Å; H101-F188 WeakPolarHBondContact CE1-CE1 3.5Å; H101-F188 AromaticContact ND1-CD1 3.93Å; H101-F188 AromaticContact NE2-CD1 3.24Å; H101-F188 WeakPolarHBondContact NE2-CD1 3.47Å; H101-F188 AromaticContact NE2-CE1 3.15Å; H101-F188 WeakPolarHBondContact NE2-CE1 3.43Å; H101-L189 WeakPolarHBondContact O-CB 3.44Å; H101-L189 PolarHBondContact O-N 3.47Å | ||
| 102 | Q | 89 | Confident | 90.8 | Very high | 13 Ų | 13 | 13 Ų | 13 | 6% | 0.061 | 7% | 0.065 | C | C | . | . | trans | -100.6 | -39.2 | -178.1 | -56.2 | -168.5 | -71.3 | 0 | 0 | 112.3 | D106 L189 I260 Y262 P267 Y321 | Q102-D106 PolarHBondContact N-OD2 3.07Å; Q102-L189 HydrophobicContact CG-CD2 4.3Å; Q102-I260 PolarHBondContact OE1-O 3.48Å; Q102-Y262 HydrophobicContact CB-CD2 4.48Å; Q102-Y262 HydrophobicContact CB-CE2 4.18Å; Q102-P267 HydrophobicContact CB-CB 4.04Å; Q102-Y321 PolarHBondContact NE2-OH 3.48Å | ||
| 103 | S | 89.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | trans | -159.1 | 179.2 | -177.5 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | H101 G105 D106 M268 | H101-S103 PolarHBondContact CE1-O 2.93Å; S103-G105 PolarHBondContact O-N 3.5Å; S103-G105 PolarHBondContact OG-N 2.92Å; S103-D106 PolarHBondContact N-OD2 3.12Å; S103-D106 WeakPolarHBondContact O-CB 3.34Å; S103-D106 PolarHBondContact O-N 3.14Å; S103-M268 WeakPolarHBondContact CB-O 3.15Å; S103-M268 PolarHBondContact OG-O 2.85Å | ||
| 104 | T | 88.1 | Confident | 91.2 | Very high | 31 Ų | 31 | 5.9 Ų | 5.9 | 19% | 0.19 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | D106 F188 D269 I270 | T104-D106 PolarHBondContact O-N 2.95Å; T104-F188 HydrophobicContact CG2-CE1 3.85Å; T104-F188 HydrophobicContact CG2-CE2 4.31Å; T104-F188 HydrophobicContact CG2-CZ 3.46Å; T104-F188 VanDerWaalsContact CG2-CZ 3.46Å; T104-D269 WeakPolarHBondContact OG1-CA 3.24Å; T104-D269 PolarHBondContact OG1-OD1 3.24Å; T104-I270 PolarHBondContact OG1-N 3.47Å |
| 105 | G | 88.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -71.7 | -13.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S103 V107 C108 T109 Y262 M268 | S103-G105 PolarHBondContact O-N 3.5Å; S103-G105 PolarHBondContact OG-N 2.92Å; G105-V107 VanDerWaalsContact C-N 3.27Å; G105-V107 PolarHBondContact O-N 3.49Å; G105-C108 PolarHBondContact O-N 3.49Å; G105-T109 WeakPolarHBondContact O-CB 3.41Å; G105-T109 PolarHBondContact O-N 3.22Å; G105-T109 PolarHBondContact O-OG1 3.05Å; G105-Y262 VanDerWaalsContact C-OH 3.22Å; G105-M268 WeakPolarHBondContact CA-O 3.39Å; G105-M268 PolarHBondContact N-O 3.47Å; G105-M268 VanDerWaalsContact N-O 3.1Å |
| 106 | D | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.8 | -60 | -19 | 0 | 0 | 0 | 110.4 | H101 Q102 S103 T104 T109 L110 F183 I260 Y262 | H101-D106 WeakPolarHBondContact CA-OD2 3.42Å; H101-D106 IonicContact CE1-OD2 3.71Å; H101-D106 IonicContact CG-OD2 2.74Å; H101-D106 IonicContact ND1-OD2 2.69Å; H101-D106 PolarHBondContact ND1-OD2 2.94Å; Q102-D106 PolarHBondContact N-OD2 3.07Å; S103-D106 PolarHBondContact N-OD2 3.12Å; S103-D106 WeakPolarHBondContact O-CB 3.34Å; S103-D106 PolarHBondContact O-N 3.14Å; T104-D106 PolarHBondContact O-N 2.95Å; D106-T109 WeakPolarHBondContact O-CB 3.25Å; D106-T109 PolarHBondContact O-N 3.11Å; D106-L110 WeakPolarHBondContact O-CG 3.48Å; D106-L110 PolarHBondContact O-N 2.84Å; D106-F183 HydrophobicContact CB-CE1 4.11Å; D106-F183 HydrophobicContact CB-CZ 4.42Å; D106-I260 HydrophobicContact CB-CD1 3.83Å; D106-Y262 WeakPolarHBondContact CA-OH 3.39Å; D106-Y262 PolarHBondContact N-OH 3.37Å; D106-Y262 VanDerWaalsContact N-OH 3.12Å; D106-Y262 WeakPolarHBondContact OD1-CE2 3.4Å; D106-Y262 VanDerWaalsContact OD1-CZ 3.32Å; D106-Y262 PolarHBondContact OD1-OH 3.05Å |
| 107 | V | 90.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 7.9 Ų | 7.9 | 13% | 0.127 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | G105 T109 L110 M111 W126 F183 | G105-V107 VanDerWaalsContact C-N 3.27Å; G105-V107 PolarHBondContact O-N 3.49Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 2.81Å; V107-M111 HydrophobicContact CG1-CE 3.36Å; V107-M111 HydrophobicContact CG1-CG 4.47Å; V107-M111 HydrophobicContact CG1-SD 4.06Å; V107-M111 WeakPolarHBondContact O-CG 3.39Å; V107-M111 PolarHBondContact O-N 2.92Å; V107-W126 HydrophobicContact CG1-CH2 4.2Å; V107-W126 HydrophobicContact CG1-CZ2 4.5Å; V107-W126 HydrophobicContact CG1-CZ3 4.32Å; V107-F183 HydrophobicContact CG2-CE2 4.23Å; V107-F183 HydrophobicContact CG2-CZ 4.12Å |
| 108 | C | 91 | Very high | 89.8 | Confident | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.4 | G105 M111 M112 W273 | G105-C108 PolarHBondContact O-N 3.49Å; C108-M111 PolarHBondContact O-N 2.78Å; C108-M112 PolarHBondContact O-N 3.02Å; C108-W273 HydrophobicContact CB-CD2 3.57Å; C108-W273 HydrophobicContact CB-CE3 3.65Å; C108-W273 HydrophobicContact CB-CG 4.21Å; C108-W273 HydrophobicContact CB-CH2 3.61Å; C108-W273 HydrophobicContact CB-CZ2 3.61Å; C108-W273 HydrophobicContact CB-CZ3 3.67Å; C108-W273 VanDerWaalsContact O-CH2 3.28Å; C108-W273 WeakPolarHBondContact O-CH2 3.27Å |
| 109 | T | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | -57 | 0 | 0 | 0 | 0 | 110.8 | V80 G105 D106 V107 M112 C113 I260 T283 V285 | V80-T109 HydrophobicContact CG1-CG2 4.47Å; V80-T109 HydrophobicContact CG2-CG2 3.9Å; G105-T109 WeakPolarHBondContact O-CB 3.41Å; G105-T109 PolarHBondContact O-N 3.22Å; G105-T109 PolarHBondContact O-OG1 3.05Å; D106-T109 WeakPolarHBondContact O-CB 3.25Å; D106-T109 PolarHBondContact O-N 3.11Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 3.35Å; T109-M112 WeakPolarHBondContact O-CB 3.41Å; T109-M112 PolarHBondContact O-N 3.26Å; T109-C113 PolarHBondContact O-N 2.91Å; T109-C113 PolarHBondContact O-SG 2.85Å; T109-I260 HydrophobicContact CG2-CG2 4.48Å; T109-T283 HydrophobicContact CG2-CG2 3.74Å; T109-V285 HydrophobicContact CG2-CG2 3.82Å |
| 110 | L | 92.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.7 | -71.1 | 170.4 | 0 | 0 | 0 | 112.6 | V99 D106 V107 M112 C113 L114 W126 V181 F183 V258 I260 | V99-L110 HydrophobicContact CG1-CD1 4.26Å; V99-L110 HydrophobicContact CG1-CD2 4.49Å; V99-L110 HydrophobicContact CG2-CD1 3.99Å; V99-L110 HydrophobicContact CG2-CD2 4.42Å; D106-L110 WeakPolarHBondContact O-CG 3.48Å; D106-L110 PolarHBondContact O-N 2.84Å; V107-L110 PolarHBondContact O-N 2.81Å; L110-M112 PolarHBondContact O-N 3.09Å; L110-C113 VanDerWaalsContact CA-SG 3.52Å; L110-C113 PolarHBondContact O-N 3.46Å; L110-C113 PolarHBondContact O-SG 2.99Å; L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.24Å; L110-W126 HydrophobicContact CB-CH2 3.77Å; L110-W126 HydrophobicContact CD1-CH2 3.88Å; L110-W126 HydrophobicContact CD1-CZ3 3.89Å; L110-V181 HydrophobicContact CD1-CG1 4.04Å; L110-F183 HydrophobicContact CD1-CE1 4.23Å; L110-F183 HydrophobicContact CD1-CZ 3.79Å; L110-V258 HydrophobicContact CD2-CG1 4.21Å; L110-I260 HydrophobicContact CD1-CD1 4.5Å; L110-I260 HydrophobicContact CD2-CD1 4.28Å; L110-I260 HydrophobicContact CG-CD1 4.08Å |
| 111 | M | 91.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.02 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.1 | -36.6 | 174 | -65.5 | 171.3 | 169.9 | 0 | 0 | 111.5 | L66 V69 S70 V107 C108 W126 F137 | L66-M111 HydrophobicContact CD2-CB 4.11Å; L66-M111 HydrophobicContact CD2-CE 3.53Å; L66-M111 HydrophobicContact CD2-CG 3.41Å; L66-M111 VanDerWaalsContact CD2-CG 3.41Å; L66-M111 HydrophobicContact CD2-SD 3.68Å; V69-M111 HydrophobicContact CB-SD 4.32Å; V69-M111 HydrophobicContact CG1-SD 3.87Å; S70-M111 VanDerWaalsContact OG-C 3.29Å; S70-M111 PolarHBondContact OG-O 3.1Å; V107-M111 HydrophobicContact CG1-CE 3.36Å; V107-M111 HydrophobicContact CG1-CG 4.47Å; V107-M111 HydrophobicContact CG1-SD 4.06Å; V107-M111 WeakPolarHBondContact O-CG 3.39Å; V107-M111 PolarHBondContact O-N 2.92Å; C108-M111 PolarHBondContact O-N 2.78Å; M111-W126 HydrophobicContact CE-CZ2 4.37Å; M111-W126 HydrophobicContact CG-CZ2 4.17Å; M111-F137 HydrophobicContact CE-CD1 4.42Å; M111-F137 HydrophobicContact CE-CD2 4.04Å; M111-F137 HydrophobicContact CE-CE1 3.73Å; M111-F137 HydrophobicContact CE-CE2 3.31Å; M111-F137 HydrophobicContact CE-CZ 3.14Å |
| 112 | M | 90.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69 | -59.5 | 175.8 | -138.8 | -157.9 | -35.4 | 0 | 0 | 110.5 | S70 W74 Y78 V80 C108 T109 L110 L114 Q115 W273 M340 L342 | S70-M112 WeakPolarHBondContact OG-CA 3.26Å; S70-M112 PolarHBondContact OG-N 2.89Å; W74-M112 HydrophobicContact CE3-SD 3.96Å; Y78-M112 VanDerWaalsContact O-CE 3.27Å; Y78-M112 WeakPolarHBondContact O-CE 2.99Å; V80-M112 HydrophobicContact CG2-CB 4.37Å; V80-M112 HydrophobicContact CG2-CE 3.37Å; V80-M112 HydrophobicContact CG2-SD 4.07Å; C108-M112 PolarHBondContact O-N 3.02Å; T109-M112 WeakPolarHBondContact O-CB 3.41Å; T109-M112 PolarHBondContact O-N 3.26Å; L110-M112 PolarHBondContact O-N 3.09Å; M112-L114 VanDerWaalsContact C-N 3.3Å; M112-L114 PolarHBondContact O-N 3.39Å; M112-Q115 WeakPolarHBondContact O-CB 3.26Å; M112-Q115 PolarHBondContact O-N 3.18Å; M112-Q115 VanDerWaalsContact O-N 3.07Å; M112-W273 HydrophobicContact CB-CH2 4.28Å; M112-W273 HydrophobicContact CE-CH2 3.17Å; M112-W273 HydrophobicContact CE-CZ2 3.88Å; M112-W273 HydrophobicContact CE-CZ3 3.87Å; M112-W273 HydrophobicContact SD-CH2 4.46Å; M112-M340 HydrophobicContact CB-CE 3.71Å; M112-M340 HydrophobicContact CB-SD 4.38Å; M112-M340 HydrophobicContact CE-CE 4.3Å; M112-M340 HydrophobicContact CG-CE 3.29Å; M112-M340 HydrophobicContact CG-SD 4.32Å; M112-M340 HydrophobicContact SD-CE 3.13Å; M112-M340 WeakPolarHBondContact SD-CE 3.3Å; M112-L342 HydrophobicContact CG-CD1 3.97Å; M112-L342 HydrophobicContact SD-CD1 4.44Å |
| 113 | C | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.1 | -31.1 | -172.3 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | V80 T109 L110 Q115 K117 Y287 M340 | V80-C113 HydrophobicContact CG1-CB 4.18Å; T109-C113 PolarHBondContact O-N 2.91Å; T109-C113 PolarHBondContact O-SG 2.85Å; L110-C113 VanDerWaalsContact CA-SG 3.52Å; L110-C113 PolarHBondContact O-N 3.46Å; L110-C113 PolarHBondContact O-SG 2.99Å; C113-Q115 VanDerWaalsContact C-N 3.31Å; C113-Q115 PolarHBondContact O-N 2.71Å; C113-K117 WeakPolarHBondContact O-CE 3.27Å; C113-Y287 WeakPolarHBondContact CB-OH 3.47Å; C113-Y287 PolarHBondContact SG-OH 3.47Å; C113-M340 WeakPolarHBondContact CA-SD 3.5Å; C113-M340 HydrophobicContact CB-SD 4.27Å |
| 114 | L | 89.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8.8 | 179.9 | -58.4 | 178.2 | 0 | 0 | 0 | 113 | L110 M112 D116 K117 V120 V121 M124 W179 | L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.24Å; M112-L114 VanDerWaalsContact C-N 3.3Å; M112-L114 PolarHBondContact O-N 3.39Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.3Å; L114-K117 HydrophobicContact CD2-CD 3.7Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 PolarHBondContact O-N 3.43Å; L114-V120 HydrophobicContact CB-CG1 4.09Å; L114-V120 HydrophobicContact CD1-CG1 4Å; L114-V120 HydrophobicContact CD2-CG1 4.19Å; L114-V120 HydrophobicContact CG-CG1 4.3Å; L114-V121 VanDerWaalsContact C-CG2 3.43Å; L114-V121 HydrophobicContact CB-CG2 3.6Å; L114-V121 VanDerWaalsContact O-CG2 3.27Å; L114-V121 WeakPolarHBondContact O-CG2 3.23Å; L114-M124 HydrophobicContact CD1-SD 4.29Å; L114-W179 HydrophobicContact CD2-CZ3 4.03Å |
| 115 | Q | 88 | Confident | 88.2 | Confident | 12 Ų | 12 | 10.3 Ų | 10.3 | 6% | 0.056 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -33.3 | -171.6 | -167.4 | 62.8 | 12.5 | 0 | 0 | 113.7 | K63 A67 M112 C113 K117 L342 | K63-Q115 WeakPolarHBondContact CE-O 3.44Å; K63-Q115 VanDerWaalsContact CG-NE2 3.32Å; K63-Q115 PolarHBondContact NZ-O 2.99Å; K63-Q115 VanDerWaalsContact NZ-O 3.15Å; K63-Q115 PolarHBondContact O-NE2 3.29Å; A67-Q115 VanDerWaalsContact CB-NE2 3.35Å; M112-Q115 WeakPolarHBondContact O-CB 3.26Å; M112-Q115 PolarHBondContact O-N 3.18Å; M112-Q115 VanDerWaalsContact O-N 3.07Å; C113-Q115 VanDerWaalsContact C-N 3.31Å; C113-Q115 PolarHBondContact O-N 2.71Å; Q115-K117 VanDerWaalsContact C-N 3.31Å; Q115-L342 HydrophobicContact CB-CD2 3.86Å; Q115-L342 HydrophobicContact CG-CD2 3.87Å |
| 116 | D | 83.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 10.3 Ų | 10.3 | 25% | 0.251 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.6 | 177.8 | 82.2 | -28.2 | 0 | 0 | 0 | 113.1 | L114 G118 R338 | L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.3Å; D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 2.96Å; D116-R338 IonicContact OD2-CZ 3.69Å; D116-R338 IonicContact OD2-NH1 3.44Å; D116-R338 PolarHBondContact OD2-NH1 3.18Å; D116-R338 IonicContact OD2-NH2 3.71Å; D116-R338 PolarHBondContact OD2-NH2 3.22Å |
| 117 | K | 83.5 | Confident | 88.2 | Confident | 3 Ų | 3 | 10.7 Ų | 10.7 | 1% | 0.013 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -94.6 | 58.2 | -173.9 | -49.6 | -169 | -172.9 | -52.6 | 0 | 112 | E82 V87 R88 C113 L114 Q115 T119 V120 | E82-K117 WeakPolarHBondContact OE1-CE 3.44Å; E82-K117 IonicContact OE1-NZ 3.38Å; E82-K117 PolarHBondContact OE1-NZ 3.42Å; E82-K117 IonicContact OE2-NZ 2.69Å; E82-K117 PolarHBondContact OE2-NZ 3.47Å; E82-K117 VanDerWaalsContact OE2-NZ 3.1Å; V87-K117 HydrophobicContact CB-CD 4.46Å; V87-K117 HydrophobicContact CG2-CD 3.36Å; R88-K117 HydrophobicContact CG-CG 4.39Å; C113-K117 WeakPolarHBondContact O-CE 3.27Å; L114-K117 HydrophobicContact CD2-CD 3.7Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 PolarHBondContact O-N 3.43Å; Q115-K117 VanDerWaalsContact C-N 3.31Å; K117-T119 PolarHBondContact O-N 3.37Å; K117-V120 HydrophobicContact CB-CB 4.29Å; K117-V120 HydrophobicContact CB-CG2 4.06Å; K117-V120 WeakPolarHBondContact O-CB 3.31Å; K117-V120 WeakPolarHBondContact O-CG2 3.36Å; K117-V120 PolarHBondContact O-N 3.14Å; K117-V120 VanDerWaalsContact O-N 3.1Å |
| 118 | G | 82.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 10.3 Ų | 10.3 | 43% | 0.433 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -119.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K63 D116 | K63-G118 PolarHBondContact NZ-O 3.13Å; D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 2.96Å |
| 119 | T | 83.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 12.2 Ų | 12.2 | 12% | 0.117 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.3 | -177 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | S91 E92 K117 V121 R122 K123 | S91-T119 PolarHBondContact O-OG1 3.29Å; E92-T119 VanDerWaalsContact CD-OG1 3.26Å; E92-T119 WeakPolarHBondContact OE1-CG2 3.3Å; E92-T119 PolarHBondContact OE1-OG1 2.76Å; K117-T119 PolarHBondContact O-N 3.37Å; T119-V121 PolarHBondContact O-N 3.26Å; T119-R122 WeakPolarHBondContact O-CA 3.4Å; T119-R122 VanDerWaalsContact O-CB 3.3Å; T119-R122 WeakPolarHBondContact O-CB 3.36Å; T119-R122 PolarHBondContact O-N 2.77Å; T119-K123 PolarHBondContact O-N 3.27Å |
| 120 | V | 86.3 | Confident | 87 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -52.4 | -53.4 | -173.3 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L114 K117 R122 K123 M124 W179 | L114-V120 HydrophobicContact CB-CG1 4.09Å; L114-V120 HydrophobicContact CD1-CG1 4Å; L114-V120 HydrophobicContact CD2-CG1 4.19Å; L114-V120 HydrophobicContact CG-CG1 4.3Å; K117-V120 HydrophobicContact CB-CB 4.29Å; K117-V120 HydrophobicContact CB-CG2 4.06Å; K117-V120 WeakPolarHBondContact O-CB 3.31Å; K117-V120 WeakPolarHBondContact O-CG2 3.36Å; K117-V120 PolarHBondContact O-N 3.14Å; K117-V120 VanDerWaalsContact O-N 3.1Å; V120-R122 PolarHBondContact O-N 3.13Å; V120-R122 VanDerWaalsContact O-N 3.14Å; V120-K123 CarbonylContact O-C 3.58Å; V120-K123 PolarHBondContact O-N 3.41Å; V120-M124 WeakPolarHBondContact O-CB 3.45Å; V120-M124 PolarHBondContact O-N 3.29Å; V120-W179 HydrophobicContact CB-CD2 4.42Å; V120-W179 HydrophobicContact CB-CE3 4.44Å; V120-W179 HydrophobicContact CG1-CD2 3.62Å; V120-W179 HydrophobicContact CG1-CE3 3.31Å; V120-W179 HydrophobicContact CG1-CG 4.23Å; V120-W179 HydrophobicContact CG1-CH2 4.05Å; V120-W179 HydrophobicContact CG1-CZ2 4.33Å; V120-W179 HydrophobicContact CG1-CZ3 3.56Å; V120-W179 HydrophobicContact CG2-CD2 4.07Å; V120-W179 HydrophobicContact CG2-CE3 4.29Å; V120-W179 HydrophobicContact CG2-CH2 3.74Å; V120-W179 HydrophobicContact CG2-CZ2 3.51Å; V120-W179 HydrophobicContact CG2-CZ3 4.15Å |
| 121 | V | 86.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -27.7 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | F62 K63 L66 L114 T119 M124 | F62-V121 WeakPolarHBondContact CD1-O 3.32Å; K63-V121 HydrophobicContact CB-CB 4.47Å; K63-V121 HydrophobicContact CB-CG1 3.95Å; K63-V121 HydrophobicContact CD-CB 4.5Å; K63-V121 HydrophobicContact CG-CB 4.23Å; K63-V121 HydrophobicContact CG-CG1 3.95Å; L66-V121 HydrophobicContact CB-CG1 3.92Å; L66-V121 HydrophobicContact CD1-CG1 3.45Å; L66-V121 VanDerWaalsContact CD1-CG1 3.45Å; L66-V121 HydrophobicContact CG-CG1 4.19Å; L114-V121 VanDerWaalsContact C-CG2 3.43Å; L114-V121 HydrophobicContact CB-CG2 3.6Å; L114-V121 VanDerWaalsContact O-CG2 3.27Å; L114-V121 WeakPolarHBondContact O-CG2 3.23Å; T119-V121 PolarHBondContact O-N 3.26Å; V121-M124 HydrophobicContact CB-CE 4.39Å; V121-M124 HydrophobicContact CG1-CE 3.88Å |
| 122 | R | 86.9 | Confident | 86 | Confident | 38 Ų | 38 | 20.8 Ų | 20.8 | 14% | 0.143 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76.3 | -27.7 | 179.9 | -54.7 | 175.6 | 55.4 | -174.5 | -6 | 112.4 | H56 G59 K63 T119 V120 R177 | H56-R122 PolarHBondContact CD2-NH2 2.83Å; H56-R122 PolarHBondContact CE1-NH1 3.32Å; H56-R122 PolarHBondContact CE1-NH2 2.91Å; H56-R122 PolarHBondContact ND1-NH2 3.14Å; H56-R122 PolarHBondContact NE2-NH2 3.23Å; H56-R122 PolarHBondContact O-NH2 2.59Å; G59-R122 WeakPolarHBondContact O-CG 3.39Å; K63-R122 HydrophobicContact CB-CG 3.83Å; K63-R122 HydrophobicContact CD-CG 3.82Å; K63-R122 HydrophobicContact CG-CG 4.39Å; T119-R122 WeakPolarHBondContact O-CA 3.4Å; T119-R122 VanDerWaalsContact O-CB 3.3Å; T119-R122 WeakPolarHBondContact O-CB 3.36Å; T119-R122 PolarHBondContact O-N 2.77Å; V120-R122 PolarHBondContact O-N 3.13Å; V120-R122 VanDerWaalsContact O-N 3.14Å; R122-R177 PolarHBondContact O-NH1 3.27Å |
| 123 | K | 86.7 | Confident | 85.5 | Confident | 23 Ų | 23 | 24.9 Ų | 24.9 | 10% | 0.1 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -118.6 | 10.3 | -170.1 | -58.7 | -170.8 | -180 | -166.5 | 0 | 112.7 | E92 T119 V120 D176 R177 K178 W179 | E92-K123 IonicContact OE2-NZ 2.68Å; T119-K123 PolarHBondContact O-N 3.27Å; V120-K123 CarbonylContact O-C 3.58Å; V120-K123 PolarHBondContact O-N 3.41Å; K123-D176 WeakPolarHBondContact CD-O 3.44Å; K123-D176 WeakPolarHBondContact CE-OD2 3.3Å; K123-D176 WeakPolarHBondContact CG-O 3.43Å; K123-D176 IonicContact NZ-OD1 3.55Å; K123-D176 IonicContact NZ-OD2 2.69Å; K123-D176 PolarHBondContact NZ-OD2 2.91Å; K123-R177 CarbonylContact O-C 3.55Å; K123-R177 WeakPolarHBondContact O-CA 3.34Å; K123-K178 HydrophobicContact CB-CB 4.14Å; K123-K178 HydrophobicContact CB-CG 4.28Å; K123-K178 HydrophobicContact CD-CD 3.66Å; K123-K178 HydrophobicContact CD-CG 3.84Å; K123-K178 PolarHBondContact O-N 2.9Å; K123-W179 PolarHBondContact O-N 3.38Å; K123-W179 VanDerWaalsContact O-N 3.13Å |
| 124 | M | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.6 | 176.9 | 68.8 | 176.6 | 176.2 | 0 | 0 | 111.3 | F62 L66 L114 V120 V121 W126 H144 W179 | F62-M124 HydrophobicContact CE1-CE 3.79Å; F62-M124 HydrophobicContact CE1-CG 4.27Å; F62-M124 HydrophobicContact CZ-CE 4.3Å; L66-M124 HydrophobicContact CD1-CE 3.72Å; L66-M124 HydrophobicContact CD2-CE 3.55Å; L66-M124 HydrophobicContact CG-CE 4.26Å; L114-M124 HydrophobicContact CD1-SD 4.29Å; V120-M124 WeakPolarHBondContact O-CB 3.45Å; V120-M124 PolarHBondContact O-N 3.29Å; V121-M124 HydrophobicContact CB-CE 4.39Å; V121-M124 HydrophobicContact CG1-CE 3.88Å; M124-W126 HydrophobicContact CE-CZ2 3.74Å; M124-W126 HydrophobicContact SD-CZ2 3.66Å; M124-H144 PolarHBondContact O-CD2 3.41Å; M124-H144 PolarHBondContact O-NE2 3.35Å; M124-W179 CarbonylContact C-O 3.48Å; M124-W179 VanDerWaalsContact CA-O 3.27Å; M124-W179 WeakPolarHBondContact CA-O 3.29Å; M124-W179 HydrophobicContact CB-CB 4.1Å |
| 125 | M | 90 | Very high | 84.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.8 | 174.1 | -178.1 | -176.6 | -67.1 | 0 | 0 | 108.6 | D146 L168 Y172 R177 W179 V181 | M125-D146 WeakPolarHBondContact CA-OD1 3.32Å; M125-L168 HydrophobicContact SD-CD2 4.37Å; M125-Y172 HydrophobicContact CE-CD2 4.14Å; M125-R177 HydrophobicContact CE-CB 4.11Å; M125-R177 HydrophobicContact CE-CG 3.82Å; M125-W179 PolarHBondContact N-O 3.13Å; M125-V181 PolarHBondContact O-N 3.26Å |
| 126 | W | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.5 | 178.2 | -64.7 | 95.7 | 0 | 0 | 0 | 112.1 | V107 L110 M111 M124 M128 D146 F147 V181 F183 | V107-W126 HydrophobicContact CG1-CH2 4.2Å; V107-W126 HydrophobicContact CG1-CZ2 4.5Å; V107-W126 HydrophobicContact CG1-CZ3 4.32Å; L110-W126 HydrophobicContact CB-CH2 3.77Å; L110-W126 HydrophobicContact CD1-CH2 3.88Å; L110-W126 HydrophobicContact CD1-CZ3 3.89Å; M111-W126 HydrophobicContact CE-CZ2 4.37Å; M111-W126 HydrophobicContact CG-CZ2 4.17Å; M124-W126 HydrophobicContact CE-CZ2 3.74Å; M124-W126 HydrophobicContact SD-CZ2 3.66Å; W126-M128 HydrophobicContact CB-CG 3.71Å; W126-M128 HydrophobicContact CB-SD 3.66Å; W126-M128 HydrophobicContact CG-SD 4.21Å; W126-D146 HydrophobicContact CB-CB 4.19Å; W126-D146 PolarHBondContact N-OD1 2.77Å; W126-F147 PolarHBondContact O-N 2.9Å; W126-V181 HydrophobicContact CD2-CB 4.41Å; W126-V181 HydrophobicContact CE3-CB 3.8Å; W126-V181 HydrophobicContact CE3-CG1 3.82Å; W126-V181 HydrophobicContact CE3-CG2 4.48Å; W126-V181 HydrophobicContact CH2-CG1 4.2Å; W126-V181 HydrophobicContact CZ3-CB 3.88Å; W126-V181 HydrophobicContact CZ3-CG1 3.46Å; W126-V181 VanDerWaalsContact CZ3-CG1 3.46Å; W126-V181 HydrophobicContact CZ3-CG2 4.36Å; W126-F183 HydrophobicContact CE3-CE2 4.47Å; W126-F183 HydrophobicContact CZ3-CE2 4.2Å; W126-F183 HydrophobicContact CZ3-CZ 4.34Å |
| 127 | L | 89 | Confident | 84.8 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.8 | 160.9 | -91.7 | 66.3 | 0 | 0 | 0 | 109.2 | F147 I149 L164 I180 V181 L182 A218 I222 | L127-F147 WeakPolarHBondContact CA-O 3.5Å; L127-F147 HydrophobicContact CD1-CB 4.22Å; L127-F147 HydrophobicContact CG-CB 4.33Å; L127-F147 HydrophobicContact CG-CD1 4.32Å; L127-I149 HydrophobicContact CB-CD1 4.16Å; L127-I149 HydrophobicContact CD2-CD1 4.13Å; L127-I149 HydrophobicContact CG-CD1 4.29Å; L127-L164 HydrophobicContact CD1-CD1 4.37Å; L127-L164 HydrophobicContact CD2-CD1 4.11Å; L127-L164 HydrophobicContact CD2-CD2 4.13Å; L127-L164 HydrophobicContact CG-CD1 4.38Å; L127-I180 HydrophobicContact CD1-CG2 3.53Å; L127-V181 PolarHBondContact N-O 3.41Å; L127-L182 HydrophobicContact CB-CB 4.22Å; L127-L182 HydrophobicContact CD2-CB 4.19Å; L127-A218 HydrophobicContact CD2-CB 4.15Å; L127-I222 HydrophobicContact CD2-CD1 3.81Å |
| 128 | M | 84.1 | Confident | 84.8 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 162 | -170.8 | -66.4 | 170.7 | 68.6 | 0 | 0 | 112.8 | W126 F132 F137 F147 F148 I149 | W126-M128 HydrophobicContact CB-CG 3.71Å; W126-M128 HydrophobicContact CB-SD 3.66Å; W126-M128 HydrophobicContact CG-SD 4.21Å; M128-F132 HydrophobicContact CB-CD2 4.45Å; M128-F132 HydrophobicContact CE-CB 3.42Å; M128-F132 VanDerWaalsContact CE-CB 3.42Å; M128-F132 HydrophobicContact CE-CD1 3.78Å; M128-F132 HydrophobicContact CE-CD2 3.97Å; M128-F132 HydrophobicContact CE-CG 3.45Å; M128-F132 VanDerWaalsContact CE-CG 3.45Å; M128-F137 HydrophobicContact CE-CD1 3.51Å; M128-F137 HydrophobicContact CE-CE1 3.36Å; M128-F137 HydrophobicContact SD-CD1 4.26Å; M128-F137 HydrophobicContact SD-CE1 3.56Å; M128-F137 VanDerWaalsContact SD-CE1 3.56Å; M128-F137 HydrophobicContact SD-CZ 4.42Å; M128-F147 PolarHBondContact N-O 3.14Å; M128-F148 HydrophobicContact CB-CD1 4.28Å; M128-F148 HydrophobicContact CB-CE1 4.43Å; M128-F148 CarbonylContact O-C 3.57Å; M128-F148 WeakPolarHBondContact O-CA 3.3Å; M128-I149 PolarHBondContact O-N 3.11Å |
| 129 | D | 82.3 | Confident | 85 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.1 | 171 | -169.3 | -80.4 | 0 | 0 | 0 | 111.5 | V131 F132 I149 Q151 | D129-V131 PolarHBondContact O-N 3.5Å; D129-V131 VanDerWaalsContact O-N 3.08Å; D129-V131 WeakPolarHBondContact OD1-CB 3.42Å; D129-V131 WeakPolarHBondContact OD1-CG2 3.38Å; D129-V131 PolarHBondContact OD1-N 3.02Å; D129-F132 HydrophobicContact CB-CD2 4.09Å; D129-F132 HydrophobicContact CB-CE2 4.36Å; D129-F132 WeakPolarHBondContact O-CB 3.33Å; D129-F132 WeakPolarHBondContact O-CD2 3.4Å; D129-F132 PolarHBondContact O-N 3.4Å; D129-I149 WeakPolarHBondContact CA-O 3.43Å; D129-Q151 WeakPolarHBondContact OD2-CG 3.25Å |
| 130 | H | 81.5 | Confident | 85.2 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 13% | 0.13 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -54 | -27.2 | 178.7 | -179.1 | -85.1 | 0 | 0 | 0 | 114.7 | F132 K133 Y134 I149 R150 | H130-F132 PolarHBondContact O-N 3.43Å; H130-K133 WeakPolarHBondContact O-CB 3.49Å; H130-K133 PolarHBondContact O-N 2.86Å; H130-K133 VanDerWaalsContact O-N 3.08Å; H130-Y134 AromaticContact CE1-CE2 3.74Å; H130-Y134 AromaticContact CE1-CZ 3.96Å; H130-Y134 PolarHBondContact CE1-OH 3.33Å; H130-Y134 AromaticContact ND1-CE2 3.97Å; H130-I149 PolarHBondContact N-O 2.84Å; H130-R150 HydrophobicContact CB-CG 3.57Å; H130-R150 PolarHBondContact CD2-NE 2.84Å; H130-R150 PolarHBondContact CE1-NH2 3.25Å; H130-R150 PolarHBondContact NE2-NE 3.35Å; H130-R150 PolarHBondContact NE2-NH2 3.25Å |
| 131 | V | 80.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 40.9 Ų | 40.9 | 61% | 0.612 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -57.9 | -32.5 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | D129 K133 Y134 | D129-V131 PolarHBondContact O-N 3.5Å; D129-V131 VanDerWaalsContact O-N 3.08Å; D129-V131 WeakPolarHBondContact OD1-CB 3.42Å; D129-V131 WeakPolarHBondContact OD1-CG2 3.38Å; D129-V131 PolarHBondContact OD1-N 3.02Å; V131-K133 PolarHBondContact O-N 3.05Å; V131-Y134 PolarHBondContact O-N 3.35Å |
| 132 | F | 80.8 | Confident | 85.1 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -65.8 | -20.8 | 179.5 | -74.6 | -80.8 | 0 | 0 | 0 | 113.4 | M128 D129 H130 Y134 T135 G138 F148 | M128-F132 HydrophobicContact CB-CD2 4.45Å; M128-F132 HydrophobicContact CE-CB 3.42Å; M128-F132 VanDerWaalsContact CE-CB 3.42Å; M128-F132 HydrophobicContact CE-CD1 3.78Å; M128-F132 HydrophobicContact CE-CD2 3.97Å; M128-F132 HydrophobicContact CE-CG 3.45Å; M128-F132 VanDerWaalsContact CE-CG 3.45Å; D129-F132 HydrophobicContact CB-CD2 4.09Å; D129-F132 HydrophobicContact CB-CE2 4.36Å; D129-F132 WeakPolarHBondContact O-CB 3.33Å; D129-F132 WeakPolarHBondContact O-CD2 3.4Å; D129-F132 PolarHBondContact O-N 3.4Å; H130-F132 PolarHBondContact O-N 3.43Å; F132-Y134 PolarHBondContact O-N 2.91Å; F132-Y134 VanDerWaalsContact O-N 3.11Å; F132-T135 WeakPolarHBondContact O-CB 3.27Å; F132-T135 PolarHBondContact O-N 3.43Å; F132-T135 PolarHBondContact O-OG1 2.93Å; F132-G138 WeakPolarHBondContact O-CA 2.92Å; F132-G138 PolarHBondContact O-N 3.39Å; F132-F148 HydrophobicContact CB-CE1 4.13Å |
| 133 | K | 81.3 | Confident | 85 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -54.9 | -30.4 | 177.1 | -170.1 | 178.9 | 174.4 | 175.7 | 0 | 113 | H130 V131 T135 L142 F148 | H130-K133 WeakPolarHBondContact O-CB 3.49Å; H130-K133 PolarHBondContact O-N 2.86Å; H130-K133 VanDerWaalsContact O-N 3.08Å; V131-K133 PolarHBondContact O-N 3.05Å; K133-T135 VanDerWaalsContact C-N 3.29Å; K133-L142 HydrophobicContact CD-CD1 4.34Å; K133-L142 HydrophobicContact CD-CD2 4.22Å; K133-L142 HydrophobicContact CG-CD1 3.73Å; K133-L142 HydrophobicContact CG-CD2 4.14Å; K133-L142 HydrophobicContact CG-CG 4.16Å; K133-F148 HydrophobicContact CB-CD1 4.22Å; K133-F148 HydrophobicContact CB-CE1 4.14Å; K133-F148 HydrophobicContact CB-CZ 4.43Å |
| 134 | Y | 81.3 | Confident | 84.9 | Confident | 180 Ų | 180 | 43.8 Ų | 43.8 | 71% | 0.706 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -87.7 | 4.2 | -178.7 | -57.3 | -73.9 | 0 | 0 | 0 | 113.9 | H130 V131 F132 | H130-Y134 AromaticContact CE1-CE2 3.74Å; H130-Y134 AromaticContact CE1-CZ 3.96Å; H130-Y134 PolarHBondContact CE1-OH 3.33Å; H130-Y134 AromaticContact ND1-CE2 3.97Å; V131-Y134 PolarHBondContact O-N 3.35Å; F132-Y134 PolarHBondContact O-N 2.91Å; F132-Y134 VanDerWaalsContact O-N 3.11Å |
| 135 | T | 85.5 | Confident | 84.5 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -99 | 160.8 | 178.2 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | F132 K133 F137 G138 L139 | F132-T135 WeakPolarHBondContact O-CB 3.27Å; F132-T135 PolarHBondContact O-N 3.43Å; F132-T135 PolarHBondContact O-OG1 2.93Å; K133-T135 VanDerWaalsContact C-N 3.29Å; T135-F137 PolarHBondContact O-N 3.27Å; T135-G138 VanDerWaalsContact O-CA 3.32Å; T135-G138 WeakPolarHBondContact O-CA 3.49Å; T135-G138 PolarHBondContact O-N 3.01Å; T135-G138 PolarHBondContact OG1-N 3.37Å; T135-G138 VanDerWaalsContact OG1-N 3.07Å; T135-L139 PolarHBondContact O-N 2.98Å; T135-L139 VanDerWaalsContact O-N 3.08Å |
| 136 | N | 84.9 | Confident | 84.4 | Confident | 95 Ų | 95 | 44.1 Ų | 44.1 | 51% | 0.508 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -47.2 | -45.4 | 169.1 | -80.8 | -6.2 | 0 | 0 | 0 | 112.6 | I33 G138 L139 V140 | I33-N136 HydrophobicContact CD1-CB 3.43Å; I33-N136 VanDerWaalsContact CD1-CB 3.43Å; N136-G138 VanDerWaalsContact C-N 3.34Å; N136-L139 PolarHBondContact O-N 3.35Å; N136-V140 PolarHBondContact O-N 2.93Å |
| 137 | F | 83.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 175.9 | -177.2 | -118.1 | 0 | 0 | 0 | 112.1 | F62 L66 M111 M128 T135 L139 V140 S141 | F62-F137 HydrophobicContact CE2-CE2 4.49Å; L66-F137 HydrophobicContact CD2-CE2 4.36Å; M111-F137 HydrophobicContact CE-CD1 4.42Å; M111-F137 HydrophobicContact CE-CD2 4.04Å; M111-F137 HydrophobicContact CE-CE1 3.73Å; M111-F137 HydrophobicContact CE-CE2 3.31Å; M111-F137 HydrophobicContact CE-CZ 3.14Å; M128-F137 HydrophobicContact CE-CD1 3.51Å; M128-F137 HydrophobicContact CE-CE1 3.36Å; M128-F137 HydrophobicContact SD-CD1 4.26Å; M128-F137 HydrophobicContact SD-CE1 3.56Å; M128-F137 VanDerWaalsContact SD-CE1 3.56Å; M128-F137 HydrophobicContact SD-CZ 4.42Å; T135-F137 PolarHBondContact O-N 3.27Å; F137-L139 PolarHBondContact O-N 3.11Å; F137-V140 PolarHBondContact O-N 3.43Å; F137-S141 WeakPolarHBondContact CE1-OG 3.48Å; F137-S141 WeakPolarHBondContact CZ-OG 3.08Å; F137-S141 VanDerWaalsContact O-CB 3.29Å; F137-S141 WeakPolarHBondContact O-CB 3.44Å; F137-S141 PolarHBondContact O-N 2.9Å; F137-S141 PolarHBondContact O-OG 2.83Å |
| 138 | G | 83.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | F132 T135 N136 S141 L142 | F132-G138 WeakPolarHBondContact O-CA 2.92Å; F132-G138 PolarHBondContact O-N 3.39Å; T135-G138 VanDerWaalsContact O-CA 3.32Å; T135-G138 WeakPolarHBondContact O-CA 3.49Å; T135-G138 PolarHBondContact O-N 3.01Å; T135-G138 PolarHBondContact OG1-N 3.37Å; T135-G138 VanDerWaalsContact OG1-N 3.07Å; N136-G138 VanDerWaalsContact C-N 3.34Å; G138-S141 PolarHBondContact O-N 3.07Å; G138-L142 WeakPolarHBondContact O-CB 3.26Å; G138-L142 VanDerWaalsContact O-CG 3.25Å; G138-L142 WeakPolarHBondContact O-CG 3.13Å; G138-L142 PolarHBondContact O-N 3.22Å |
| 139 | L | 86.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 41% | 0.414 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.3 | -179.7 | 62.5 | 0 | 0 | 0 | 111.3 | I33 T135 N136 F137 S141 L142 I143 | I33-L139 HydrophobicContact CG2-CD2 3.94Å; T135-L139 PolarHBondContact O-N 2.98Å; T135-L139 VanDerWaalsContact O-N 3.08Å; N136-L139 PolarHBondContact O-N 3.35Å; F137-L139 PolarHBondContact O-N 3.11Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.26Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-I143 HydrophobicContact CD1-CD1 4.38Å; L139-I143 HydrophobicContact CG-CD1 4.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.24Å |
| 140 | V | 87.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | I33 Y36 F62 L65 N136 F137 L142 I143 H144 | I33-V140 HydrophobicContact CG1-CG2 4.32Å; I33-V140 HydrophobicContact CG2-CG2 4.22Å; Y36-V140 HydrophobicContact CD1-CG2 4.34Å; Y36-V140 HydrophobicContact CE1-CB 4.44Å; Y36-V140 HydrophobicContact CE1-CG1 3.93Å; Y36-V140 HydrophobicContact CE1-CG2 4.42Å; F62-V140 HydrophobicContact CD2-CG1 3.64Å; F62-V140 HydrophobicContact CE2-CG1 3.79Å; L65-V140 HydrophobicContact CD1-CG1 3.68Å; L65-V140 HydrophobicContact CD1-CG2 3.96Å; N136-V140 PolarHBondContact O-N 2.93Å; F137-V140 PolarHBondContact O-N 3.43Å; V140-L142 PolarHBondContact O-N 2.87Å; V140-I143 PolarHBondContact O-N 3.42Å; V140-H144 WeakPolarHBondContact O-CB 3.22Å; V140-H144 PolarHBondContact O-N 3.19Å |
| 141 | S | 85.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | -179.7 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | F137 G138 L139 I143 H144 G145 D146 | F137-S141 WeakPolarHBondContact CE1-OG 3.48Å; F137-S141 WeakPolarHBondContact CZ-OG 3.08Å; F137-S141 VanDerWaalsContact O-CB 3.29Å; F137-S141 WeakPolarHBondContact O-CB 3.44Å; F137-S141 PolarHBondContact O-N 2.9Å; F137-S141 PolarHBondContact O-OG 2.83Å; G138-S141 PolarHBondContact O-N 3.07Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.26Å; S141-I143 VanDerWaalsContact C-N 3.34Å; S141-I143 PolarHBondContact O-N 3.03Å; S141-H144 PolarHBondContact O-N 2.9Å; S141-G145 PolarHBondContact O-N 2.92Å; S141-D146 WeakPolarHBondContact CA-OD2 3.49Å; S141-D146 WeakPolarHBondContact CB-OD2 3.46Å; S141-D146 WeakPolarHBondContact O-CB 3.41Å; S141-D146 PolarHBondContact O-N 2.87Å; S141-D146 PolarHBondContact OG-OD2 2.63Å |
| 142 | L | 85.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 173.4 | -77 | 168.9 | 0 | 0 | 0 | 112 | K133 G138 L139 V140 G145 F148 | K133-L142 HydrophobicContact CD-CD1 4.34Å; K133-L142 HydrophobicContact CD-CD2 4.22Å; K133-L142 HydrophobicContact CG-CD1 3.73Å; K133-L142 HydrophobicContact CG-CD2 4.14Å; K133-L142 HydrophobicContact CG-CG 4.16Å; G138-L142 WeakPolarHBondContact O-CB 3.26Å; G138-L142 VanDerWaalsContact O-CG 3.25Å; G138-L142 WeakPolarHBondContact O-CG 3.13Å; G138-L142 PolarHBondContact O-N 3.22Å; L139-L142 PolarHBondContact O-N 3.38Å; V140-L142 PolarHBondContact O-N 2.87Å; L142-G145 PolarHBondContact O-N 3.24Å; L142-F148 HydrophobicContact CB-CE2 4.47Å; L142-F148 HydrophobicContact CD2-CD2 3.83Å; L142-F148 HydrophobicContact CD2-CE2 3.41Å; L142-F148 VanDerWaalsContact CD2-CE2 3.41Å; L142-F148 HydrophobicContact CD2-CZ 4.32Å; L142-F148 HydrophobicContact CG-CE2 3.64Å; L142-F148 HydrophobicContact CG-CZ 4.13Å |
| 143 | I | 84.3 | Confident | 80.1 | Confident | 51 Ų | 51 | 55 Ų | 55 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 178.8 | -64.8 | 165.6 | 0 | 0 | 0 | 109.9 | Y36 C37 L40 L139 V140 S141 G145 R175 | Y36-I143 HydrophobicContact CD1-CD1 4.44Å; Y36-I143 HydrophobicContact CE1-CB 4.25Å; Y36-I143 HydrophobicContact CE1-CD1 4.07Å; Y36-I143 HydrophobicContact CE1-CG2 4.08Å; C37-I143 VanDerWaalsContact SG-CD1 3.58Å; L40-I143 HydrophobicContact CD1-CG2 3.29Å; L139-I143 HydrophobicContact CD1-CD1 4.38Å; L139-I143 HydrophobicContact CG-CD1 4.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.24Å; V140-I143 PolarHBondContact O-N 3.42Å; S141-I143 VanDerWaalsContact C-N 3.34Å; S141-I143 PolarHBondContact O-N 3.03Å; I143-G145 PolarHBondContact O-N 2.91Å; I143-R175 PolarHBondContact O-NH1 2.6Å |
| 144 | H | 84.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -31.9 | 175.8 | -163.7 | 68.1 | 0 | 0 | 0 | 112.3 | E58 F62 M124 V140 S141 D146 R175 R177 | E58-H144 VanDerWaalsContact CD-ND1 3.35Å; E58-H144 WeakPolarHBondContact OE1-CA 2.71Å; E58-H144 IonicContact OE1-CE1 2.59Å; E58-H144 IonicContact OE1-CG 2.77Å; E58-H144 IonicContact OE1-ND1 3.54Å; E58-H144 PolarHBondContact OE1-ND1 3.27Å; E58-H144 IonicContact OE2-CE1 2.67Å; E58-H144 IonicContact OE2-ND1 2.72Å; E58-H144 PolarHBondContact OE2-ND1 3.36Å; F62-H144 AromaticContact CD1-CE1 3.15Å; F62-H144 WeakPolarHBondContact CD1-CE1 3.2Å; F62-H144 AromaticContact CD1-ND1 3.54Å; F62-H144 AromaticContact CD1-NE2 3.54Å; F62-H144 HydrophobicContact CD2-CB 4.27Å; F62-H144 AromaticContact CD2-CG 3.96Å; F62-H144 AromaticContact CD2-ND1 3.73Å; F62-H144 AromaticContact CE1-CD2 3.67Å; F62-H144 AromaticContact CE1-CE1 3.54Å; F62-H144 AromaticContact CE1-ND1 3.93Å; F62-H144 AromaticContact CE1-NE2 3.4Å; F62-H144 WeakPolarHBondContact CE1-NE2 3.25Å; F62-H144 HydrophobicContact CE2-CB 4.13Å; F62-H144 AromaticContact CE2-CG 3.9Å; F62-H144 AromaticContact CG-CE1 3.53Å; F62-H144 AromaticContact CG-ND1 3.43Å; F62-H144 WeakPolarHBondContact CG-ND1 3.5Å; F62-H144 HydrophobicContact CZ-CB 4.5Å; F62-H144 AromaticContact CZ-CD2 3.76Å; F62-H144 AromaticContact CZ-CG 3.92Å; M124-H144 PolarHBondContact O-CD2 3.41Å; M124-H144 PolarHBondContact O-NE2 3.35Å; V140-H144 WeakPolarHBondContact O-CB 3.22Å; V140-H144 PolarHBondContact O-N 3.19Å; S141-H144 PolarHBondContact O-N 2.9Å; H144-D146 IonicContact CD2-OD1 3.91Å; H144-D146 IonicContact CD2-OD2 3.81Å; H144-R175 PolarHBondContact O-NH1 3.06Å; H144-R177 PolarHBondContact CE1-NH1 3.35Å; H144-R177 PolarHBondContact CE1-NH2 3.33Å; H144-R177 PolarHBondContact ND1-NH2 3.26Å; H144-R177 VanDerWaalsContact ND1-NH2 3.1Å; H144-R177 VanDerWaalsContact NE2-CZ 3.27Å; H144-R177 PolarHBondContact NE2-NE 3.21Å; H144-R177 PolarHBondContact NE2-NH1 2.81Å; H144-R177 PolarHBondContact O-NH2 2.75Å |
| 145 | G | 80.9 | Confident | 78.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 29.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S141 L142 I143 H167 R175 | S141-G145 PolarHBondContact O-N 2.92Å; L142-G145 PolarHBondContact O-N 3.24Å; I143-G145 PolarHBondContact O-N 2.91Å; G145-H167 PolarHBondContact O-CE1 2.71Å; G145-H167 PolarHBondContact O-NE2 2.97Å; G145-R175 VanDerWaalsContact N-NH1 3.12Å |
| 146 | D | 86.4 | Confident | 77.3 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | trans | -68.5 | 154.6 | 170.8 | -65.8 | -37.4 | 0 | 0 | 0 | 111.4 | M125 W126 S141 H144 | M125-D146 WeakPolarHBondContact CA-OD1 3.32Å; W126-D146 HydrophobicContact CB-CB 4.19Å; W126-D146 PolarHBondContact N-OD1 2.77Å; S141-D146 WeakPolarHBondContact CA-OD2 3.49Å; S141-D146 WeakPolarHBondContact CB-OD2 3.46Å; S141-D146 WeakPolarHBondContact O-CB 3.41Å; S141-D146 PolarHBondContact O-N 2.87Å; S141-D146 PolarHBondContact OG-OD2 2.63Å; H144-D146 IonicContact CD2-OD1 3.91Å; H144-D146 IonicContact CD2-OD2 3.81Å | ||
| 147 | F | 85.9 | Confident | 76.6 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.4 | -176.3 | -171.4 | -100.2 | 0 | 0 | 0 | 111.7 | W126 L127 M128 I149 L164 H167 | W126-F147 PolarHBondContact O-N 2.9Å; L127-F147 WeakPolarHBondContact CA-O 3.5Å; L127-F147 HydrophobicContact CD1-CB 4.22Å; L127-F147 HydrophobicContact CG-CB 4.33Å; L127-F147 HydrophobicContact CG-CD1 4.32Å; M128-F147 PolarHBondContact N-O 3.14Å; F147-I149 HydrophobicContact CD1-CG1 3.75Å; F147-I149 HydrophobicContact CE1-CG1 3.76Å; F147-L164 HydrophobicContact CB-CD1 4.35Å; F147-L164 HydrophobicContact CD1-CB 4.42Å; F147-L164 HydrophobicContact CD1-CD1 3.68Å; F147-L164 HydrophobicContact CD2-CD1 4.3Å; F147-L164 HydrophobicContact CE1-CB 3.82Å; F147-L164 HydrophobicContact CE1-CD1 3.97Å; F147-L164 HydrophobicContact CE1-CG 4.42Å; F147-L164 HydrophobicContact CE2-CB 4.33Å; F147-L164 HydrophobicContact CG-CD1 3.84Å; F147-L164 HydrophobicContact CZ-CB 3.78Å; F147-L164 HydrophobicContact CZ-CD1 4.41Å; F147-H167 HydrophobicContact CD2-CB 3.72Å; F147-H167 AromaticContact CD2-CD2 3.93Å; F147-H167 AromaticContact CD2-CG 3.59Å; F147-H167 AromaticContact CD2-ND1 3.92Å; F147-H167 HydrophobicContact CE2-CB 3.94Å |
| 148 | F | 82.6 | Confident | 76.1 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.5 | 179.4 | -66.3 | -83.6 | 0 | 0 | 0 | 111.4 | M128 F132 K133 L142 Q160 | M128-F148 HydrophobicContact CB-CD1 4.28Å; M128-F148 HydrophobicContact CB-CE1 4.43Å; M128-F148 CarbonylContact O-C 3.57Å; M128-F148 WeakPolarHBondContact O-CA 3.3Å; F132-F148 HydrophobicContact CB-CE1 4.13Å; K133-F148 HydrophobicContact CB-CD1 4.22Å; K133-F148 HydrophobicContact CB-CE1 4.14Å; K133-F148 HydrophobicContact CB-CZ 4.43Å; L142-F148 HydrophobicContact CB-CE2 4.47Å; L142-F148 HydrophobicContact CD2-CD2 3.83Å; L142-F148 HydrophobicContact CD2-CE2 3.41Å; L142-F148 VanDerWaalsContact CD2-CE2 3.41Å; L142-F148 HydrophobicContact CD2-CZ 4.32Å; L142-F148 HydrophobicContact CG-CE2 3.64Å; L142-F148 HydrophobicContact CG-CZ 4.13Å; F148-Q160 PolarHBondContact O-OE1 3.13Å |
| 149 | I | 78.9 | Confident | 75.8 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 126.6 | 177.7 | -54.8 | 173.8 | 0 | 0 | 0 | 109.7 | L127 M128 D129 H130 F147 Q151 | L127-I149 HydrophobicContact CB-CD1 4.16Å; L127-I149 HydrophobicContact CD2-CD1 4.13Å; L127-I149 HydrophobicContact CG-CD1 4.29Å; M128-I149 PolarHBondContact O-N 3.11Å; D129-I149 WeakPolarHBondContact CA-O 3.43Å; H130-I149 PolarHBondContact N-O 2.84Å; F147-I149 HydrophobicContact CD1-CG1 3.75Å; F147-I149 HydrophobicContact CE1-CG1 3.76Å; I149-Q151 HydrophobicContact CG2-CG 4.36Å |
| 150 | R | 72.6 | Confident | 75.5 | Confident | 121 Ų | 121 | 61.2 Ų | 61.2 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | trans | -88.4 | 115.2 | 164.4 | -73 | -177.3 | 175.5 | 178 | 1.9 | 110.7 | H130 Q152 Q160 | H130-R150 HydrophobicContact CB-CG 3.57Å; H130-R150 PolarHBondContact CD2-NE 2.84Å; H130-R150 PolarHBondContact CE1-NH2 3.25Å; H130-R150 PolarHBondContact NE2-NE 3.35Å; H130-R150 PolarHBondContact NE2-NH2 3.25Å; R150-Q152 VanDerWaalsContact C-N 3.34Å; R150-Q152 PolarHBondContact O-N 2.88Å; R150-Q160 HydrophobicContact CB-CG 4.39Å | ||
| 151 | Q | 61.6 | Low | 75.2 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | trans | -84.7 | 2.3 | -177.8 | -61.6 | -171.9 | 0.3 | 0 | 0 | 115.1 | D129 I149 G153 G186 | D129-Q151 WeakPolarHBondContact OD2-CG 3.25Å; I149-Q151 HydrophobicContact CG2-CG 4.36Å; Q151-G153 PolarHBondContact O-N 3.2Å; Q151-G186 PolarHBondContact NE2-O 3.5Å; Q151-G186 VanDerWaalsContact NE2-O 3.15Å; Q151-G186 PolarHBondContact OE1-O 3.03Å | ||
| 152 | Q | 57.9 | Low | 75.1 | Confident | 162 Ų | 162 | 67.1 Ų | 67.1 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -79.1 | 104 | -173.2 | -73.9 | -172.6 | -16.5 | 0 | 0 | 113.5 | R150 H156 | R150-Q152 VanDerWaalsContact C-N 3.34Å; R150-Q152 PolarHBondContact O-N 2.88Å; Q152-H156 WeakPolarHBondContact O-CB 3.39Å |
| 153 | G | 58.8 | Low | 74.9 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | trans | 83 | 152.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q151 H156 R157 | Q151-G153 PolarHBondContact O-N 3.2Å; G153-H156 PolarHBondContact O-N 3.41Å; G153-R157 WeakPolarHBondContact O-CG 3.38Å; G153-R157 PolarHBondContact O-N 3.15Å | ||
| 154 | K | 61.8 | Low | 75 | Confident | 155 Ų | 155 | 67.2 Ų | 67.2 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | -174.6 | -169.9 | 175.5 | 179.8 | -173.7 | 0 | 112.9 | H156 R157 | K154-H156 VanDerWaalsContact C-N 3.29Å; K154-H156 PolarHBondContact O-N 2.98Å; K154-R157 WeakPolarHBondContact O-CB 3.2Å; K154-R157 PolarHBondContact O-N 3.31Å; K154-R157 VanDerWaalsContact O-N 3.14Å |
| 155 | A | 60 | Low | 75 | Confident | 69 Ų | 69 | 72 Ų | 72 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.8 | -26.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 156 | H | 68.2 | Low | 75.1 | Confident | 105 Ų | 105 | 77 Ų | 77 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77.9 | -33.1 | 175.8 | -69.1 | 65.2 | 0 | 0 | 0 | 110.9 | Q152 G153 K154 D158 K159 Q160 | Q152-H156 WeakPolarHBondContact O-CB 3.39Å; G153-H156 PolarHBondContact O-N 3.41Å; K154-H156 VanDerWaalsContact C-N 3.29Å; K154-H156 PolarHBondContact O-N 2.98Å; H156-D158 PolarHBondContact O-N 3.17Å; H156-K159 PolarHBondContact O-N 3.03Å; H156-Q160 VanDerWaalsContact O-CG 3.28Å; H156-Q160 WeakPolarHBondContact O-CG 3.46Å; H156-Q160 PolarHBondContact O-N 3.02Å |
| 157 | R | 69.1 | Low | 75.1 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59 | -45 | 179.6 | -70.3 | -173.5 | -61.4 | -114.6 | 12.6 | 112.2 | G153 K154 K159 Q160 L161 | G153-R157 WeakPolarHBondContact O-CG 3.38Å; G153-R157 PolarHBondContact O-N 3.15Å; K154-R157 WeakPolarHBondContact O-CB 3.2Å; K154-R157 PolarHBondContact O-N 3.31Å; K154-R157 VanDerWaalsContact O-N 3.14Å; R157-K159 VanDerWaalsContact C-N 3.31Å; R157-K159 PolarHBondContact O-N 3.2Å; R157-Q160 WeakPolarHBondContact O-CB 3.42Å; R157-Q160 PolarHBondContact O-N 2.99Å; R157-Q160 VanDerWaalsContact O-N 3.1Å; R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 2.97Å; R157-L161 VanDerWaalsContact O-N 3.08Å |
| 158 | D | 73.3 | Confident | 75 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | -178.7 | -56.7 | -25.4 | 0 | 0 | 0 | 111 | H156 L161 V162 | H156-D158 PolarHBondContact O-N 3.17Å; D158-L161 PolarHBondContact O-N 3.08Å; D158-V162 PolarHBondContact O-N 2.9Å |
| 159 | K | 78.4 | Confident | 75 | Confident | 134 Ų | 134 | 81 Ų | 81 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 171.9 | -67.7 | -175.9 | 178 | -176.1 | 0 | 112.7 | H156 R157 L161 V162 Y163 | H156-K159 PolarHBondContact O-N 3.03Å; R157-K159 VanDerWaalsContact C-N 3.31Å; R157-K159 PolarHBondContact O-N 3.2Å; K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 PolarHBondContact O-N 2.8Å; K159-V162 PolarHBondContact O-N 3.32Å; K159-Y163 HydrophobicContact CB-CE2 4.26Å; K159-Y163 WeakPolarHBondContact O-CD2 3.28Å; K159-Y163 PolarHBondContact O-N 2.85Å |
| 160 | Q | 80.7 | Confident | 75 | Confident | 25 Ų | 25 | 85.3 Ų | 85.3 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 176.7 | -66.2 | -60 | -82.5 | 0 | 0 | 112.1 | F148 R150 H156 R157 Y163 L164 | F148-Q160 PolarHBondContact O-OE1 3.13Å; R150-Q160 HydrophobicContact CB-CG 4.39Å; H156-Q160 VanDerWaalsContact O-CG 3.28Å; H156-Q160 WeakPolarHBondContact O-CG 3.46Å; H156-Q160 PolarHBondContact O-N 3.02Å; R157-Q160 WeakPolarHBondContact O-CB 3.42Å; R157-Q160 PolarHBondContact O-N 2.99Å; R157-Q160 VanDerWaalsContact O-N 3.1Å; Q160-Y163 PolarHBondContact O-N 3.08Å; Q160-L164 WeakPolarHBondContact O-CB 3.19Å; Q160-L164 PolarHBondContact O-N 3.05Å |
| 161 | L | 81.5 | Confident | 75.3 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 175.7 | -67.2 | -179.5 | 0 | 0 | 0 | 112 | R157 D158 K159 L164 K165 G217 V221 | R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 2.97Å; R157-L161 VanDerWaalsContact O-N 3.08Å; D158-L161 PolarHBondContact O-N 3.08Å; K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 PolarHBondContact O-N 2.8Å; L161-L164 PolarHBondContact O-N 2.98Å; L161-K165 PolarHBondContact O-N 3.39Å; L161-K165 VanDerWaalsContact O-N 3.11Å; L161-G217 VanDerWaalsContact CD2-C 3.47Å; L161-V221 HydrophobicContact CB-CG2 4.07Å; L161-V221 HydrophobicContact CD2-CG2 4.08Å; L161-V221 HydrophobicContact CG-CG2 4.46Å |
| 162 | V | 82.6 | Confident | 76.1 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | D158 K159 L164 K165 E166 | D158-V162 PolarHBondContact O-N 2.9Å; K159-V162 PolarHBondContact O-N 3.32Å; V162-L164 VanDerWaalsContact C-N 3.27Å; V162-L164 PolarHBondContact O-N 3.23Å; V162-K165 WeakPolarHBondContact O-CB 3.17Å; V162-K165 PolarHBondContact O-N 3.4Å; V162-K165 VanDerWaalsContact O-N 3.14Å; V162-E166 PolarHBondContact O-N 2.82Å |
| 163 | Y | 83.1 | Confident | 76.9 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.5 | -63.7 | -42.4 | 0 | 0 | 0 | 113 | K159 Q160 H167 | K159-Y163 HydrophobicContact CB-CE2 4.26Å; K159-Y163 WeakPolarHBondContact O-CD2 3.28Å; K159-Y163 PolarHBondContact O-N 2.85Å; Q160-Y163 PolarHBondContact O-N 3.08Å; Y163-H167 WeakPolarHBondContact O-CB 3.3Å; Y163-H167 PolarHBondContact O-N 2.94Å |
| 164 | L | 84.8 | Confident | 77.7 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 174.5 | 176.4 | 61.5 | 0 | 0 | 0 | 110.2 | L127 F147 Q160 L161 V162 E166 H167 L168 A218 V221 I222 | L127-L164 HydrophobicContact CD1-CD1 4.37Å; L127-L164 HydrophobicContact CD2-CD1 4.11Å; L127-L164 HydrophobicContact CD2-CD2 4.13Å; L127-L164 HydrophobicContact CG-CD1 4.38Å; F147-L164 HydrophobicContact CB-CD1 4.35Å; F147-L164 HydrophobicContact CD1-CB 4.42Å; F147-L164 HydrophobicContact CD1-CD1 3.68Å; F147-L164 HydrophobicContact CD2-CD1 4.3Å; F147-L164 HydrophobicContact CE1-CB 3.82Å; F147-L164 HydrophobicContact CE1-CD1 3.97Å; F147-L164 HydrophobicContact CE1-CG 4.42Å; F147-L164 HydrophobicContact CE2-CB 4.33Å; F147-L164 HydrophobicContact CG-CD1 3.84Å; F147-L164 HydrophobicContact CZ-CB 3.78Å; F147-L164 HydrophobicContact CZ-CD1 4.41Å; Q160-L164 WeakPolarHBondContact O-CB 3.19Å; Q160-L164 PolarHBondContact O-N 3.05Å; L161-L164 PolarHBondContact O-N 2.98Å; V162-L164 VanDerWaalsContact C-N 3.27Å; V162-L164 PolarHBondContact O-N 3.23Å; L164-E166 PolarHBondContact O-N 3.11Å; L164-H167 PolarHBondContact O-N 3.49Å; L164-L168 HydrophobicContact CD1-CD1 4.21Å; L164-L168 HydrophobicContact CD1-CG 4.15Å; L164-L168 HydrophobicContact CG-CD1 4.11Å; L164-L168 HydrophobicContact CG-CG 4.47Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.02Å; L164-A218 HydrophobicContact CD2-CB 4.14Å; L164-V221 HydrophobicContact CB-CG1 4.42Å; L164-V221 HydrophobicContact CD2-CB 4.26Å; L164-V221 HydrophobicContact CD2-CG1 4.04Å; L164-V221 HydrophobicContact CG-CG1 4.11Å; L164-I222 HydrophobicContact CD2-CG1 4.25Å |
| 165 | K | 85.3 | Confident | 78.4 | Confident | 100 Ų | 100 | 69.5 Ų | 69.5 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57 | -52.1 | 176.6 | -178.6 | -175.7 | 171.8 | -168.7 | 0 | 111.6 | L161 V162 H167 L168 E169 V221 T225 | L161-K165 PolarHBondContact O-N 3.39Å; L161-K165 VanDerWaalsContact O-N 3.11Å; V162-K165 WeakPolarHBondContact O-CB 3.17Å; V162-K165 PolarHBondContact O-N 3.4Å; V162-K165 VanDerWaalsContact O-N 3.14Å; K165-H167 VanDerWaalsContact C-N 3.27Å; K165-H167 PolarHBondContact O-N 3.46Å; K165-L168 PolarHBondContact O-N 3.1Å; K165-E169 WeakPolarHBondContact CE-OE1 3.17Å; K165-E169 IonicContact NZ-OE1 3.49Å; K165-E169 PolarHBondContact O-N 3.4Å; K165-V221 HydrophobicContact CB-CG1 4.04Å; K165-T225 HydrophobicContact CG-CG2 4.15Å |
| 166 | E | 83.9 | Confident | 79.4 | Confident | 108 Ų | 108 | 69.6 Ų | 69.6 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 179.1 | -68.8 | 175.4 | 178.8 | 0 | 0 | 112.1 | V162 L164 K170 | V162-E166 PolarHBondContact O-N 2.82Å; L164-E166 PolarHBondContact O-N 3.11Å; E166-K170 VanDerWaalsContact O-CB 3.27Å; E166-K170 WeakPolarHBondContact O-CB 3.33Å; E166-K170 PolarHBondContact O-N 2.82Å |
| 167 | H | 85.7 | Confident | 80.2 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 14% | 0.139 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 178 | -172 | 96.2 | 0 | 0 | 0 | 112 | G145 F147 Y163 L164 K165 K170 Y171 | G145-H167 PolarHBondContact O-CE1 2.71Å; G145-H167 PolarHBondContact O-NE2 2.97Å; F147-H167 HydrophobicContact CD2-CB 3.72Å; F147-H167 AromaticContact CD2-CD2 3.93Å; F147-H167 AromaticContact CD2-CG 3.59Å; F147-H167 AromaticContact CD2-ND1 3.92Å; F147-H167 HydrophobicContact CE2-CB 3.94Å; Y163-H167 WeakPolarHBondContact O-CB 3.3Å; Y163-H167 PolarHBondContact O-N 2.94Å; L164-H167 PolarHBondContact O-N 3.49Å; K165-H167 VanDerWaalsContact C-N 3.27Å; K165-H167 PolarHBondContact O-N 3.46Å; H167-K170 PolarHBondContact O-N 3.19Å; H167-Y171 HydrophobicContact CB-CD2 4.44Å; H167-Y171 AromaticContact CE1-CD2 3.32Å; H167-Y171 WeakPolarHBondContact CE1-CD2 3.41Å; H167-Y171 AromaticContact CE1-CE2 3.8Å; H167-Y171 AromaticContact CG-CD2 3.67Å; H167-Y171 AromaticContact ND1-CD2 3.22Å; H167-Y171 WeakPolarHBondContact ND1-CD2 3.38Å; H167-Y171 AromaticContact ND1-CE2 3.53Å; H167-Y171 AromaticContact NE2-CD2 3.81Å; H167-Y171 WeakPolarHBondContact O-CB 3.46Å; H167-Y171 PolarHBondContact O-N 2.93Å |
| 168 | L | 84 | Confident | 81 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -62.7 | -49.2 | 175.3 | -68.2 | 171.8 | 0 | 0 | 0 | 110.7 | M125 L164 K165 K170 Y172 I180 I222 T225 | M125-L168 HydrophobicContact SD-CD2 4.37Å; L164-L168 HydrophobicContact CD1-CD1 4.21Å; L164-L168 HydrophobicContact CD1-CG 4.15Å; L164-L168 HydrophobicContact CG-CD1 4.11Å; L164-L168 HydrophobicContact CG-CG 4.47Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.02Å; K165-L168 PolarHBondContact O-N 3.1Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.23Å; L168-Y172 HydrophobicContact CD2-CD2 4.37Å; L168-Y172 WeakPolarHBondContact O-CB 3.33Å; L168-Y172 PolarHBondContact O-N 2.68Å; L168-I180 HydrophobicContact CD2-CD1 3.53Å; L168-I222 HydrophobicContact CD1-CB 4.45Å; L168-I222 HydrophobicContact CD1-CG1 3.88Å; L168-T225 HydrophobicContact CB-CG2 4.25Å |
| 169 | E | 82.4 | Confident | 81.8 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -59.6 | -37.7 | 178.4 | -71.5 | 176.6 | 175.7 | 0 | 0 | 112.2 | K165 T225 | K165-E169 WeakPolarHBondContact CE-OE1 3.17Å; K165-E169 IonicContact NZ-OE1 3.49Å; K165-E169 PolarHBondContact O-N 3.4Å; E169-T225 HydrophobicContact CG-CG2 3.95Å |
| 170 | K | 80.3 | Confident | 82.4 | Confident | 132 Ų | 132 | 51.1 Ų | 51.1 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | I | π-helix | trans | -83.7 | -41.7 | -176.5 | -173.5 | 172 | -179.2 | 174.2 | 0 | 114.3 | E166 H167 L168 S174 | E166-K170 VanDerWaalsContact O-CB 3.27Å; E166-K170 WeakPolarHBondContact O-CB 3.33Å; E166-K170 PolarHBondContact O-N 2.82Å; H167-K170 PolarHBondContact O-N 3.19Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.23Å; K170-S174 WeakPolarHBondContact O-CB 3.27Å; K170-S174 PolarHBondContact O-OG 2.91Å |
| 171 | Y | 77.6 | Confident | 83 | Confident | 66 Ų | 66 | 50 Ų | 50 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -114.2 | -21.3 | -166.2 | -63 | -65.8 | 0 | 0 | 0 | 114.9 | H167 S174 R175 | H167-Y171 HydrophobicContact CB-CD2 4.44Å; H167-Y171 AromaticContact CE1-CD2 3.32Å; H167-Y171 WeakPolarHBondContact CE1-CD2 3.41Å; H167-Y171 AromaticContact CE1-CE2 3.8Å; H167-Y171 AromaticContact CG-CD2 3.67Å; H167-Y171 AromaticContact ND1-CD2 3.22Å; H167-Y171 WeakPolarHBondContact ND1-CD2 3.38Å; H167-Y171 AromaticContact ND1-CE2 3.53Å; H167-Y171 AromaticContact NE2-CD2 3.81Å; H167-Y171 WeakPolarHBondContact O-CB 3.46Å; H167-Y171 PolarHBondContact O-N 2.93Å; Y171-S174 WeakPolarHBondContact CA-OG 3.26Å; Y171-R175 VanDerWaalsContact CD1-NH2 3.34Å; Y171-R175 VanDerWaalsContact O-CB 3.29Å; Y171-R175 WeakPolarHBondContact O-CB 3.48Å; Y171-R175 VanDerWaalsContact O-CG 3.3Å; Y171-R175 WeakPolarHBondContact O-CG 3.25Å; Y171-R175 PolarHBondContact O-N 2.74Å |
| 172 | Y | 78.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -66.3 | -57.7 | -177 | -174.3 | -104.9 | 0 | 0 | 0 | 110.8 | M125 L168 R177 K178 I180 L226 | M125-Y172 HydrophobicContact CE-CD2 4.14Å; L168-Y172 HydrophobicContact CD2-CD2 4.37Å; L168-Y172 WeakPolarHBondContact O-CB 3.33Å; L168-Y172 PolarHBondContact O-N 2.68Å; Y172-R177 HydrophobicContact CD2-CB 3.76Å; Y172-R177 WeakPolarHBondContact CE1-O 3.47Å; Y172-R177 HydrophobicContact CE2-CB 4.03Å; Y172-R177 VanDerWaalsContact CE2-O 3.29Å; Y172-R177 WeakPolarHBondContact CE2-O 3.45Å; Y172-R177 HydrophobicContact CG-CB 4.42Å; Y172-R177 WeakPolarHBondContact O-CB 3.42Å; Y172-R177 PolarHBondContact O-N 3.32Å; Y172-K178 PolarHBondContact OH-O 2.78Å; Y172-I180 HydrophobicContact CD2-CD1 3.74Å; Y172-I180 HydrophobicContact CD2-CG1 3.96Å; Y172-I180 HydrophobicContact CE2-CD1 3.46Å; Y172-I180 VanDerWaalsContact CE2-CD1 3.46Å; Y172-I180 HydrophobicContact CE2-CG1 3.36Å; Y172-L226 HydrophobicContact CD1-CD1 4.47Å; Y172-L226 HydrophobicContact CD1-CD2 3.53Å; Y172-L226 HydrophobicContact CE1-CD1 3.88Å; Y172-L226 HydrophobicContact CE1-CD2 3.62Å; Y172-L226 HydrophobicContact CE1-CG 4.39Å; Y172-L226 HydrophobicContact CE2-CD1 4.41Å; Y172-L226 HydrophobicContact CG-CD2 4.17Å |
| 173 | H | 75.3 | Confident | 84 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 32% | 0.324 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -38.5 | 179.2 | -67.9 | -64 | 0 | 0 | 0 | 113.4 | E94 R175 D176 Q229 | E94-H173 IonicContact OE1-CE1 3.98Å; H173-R175 PolarHBondContact O-N 2.93Å; H173-D176 PolarHBondContact O-N 2.74Å; H173-Q229 PolarHBondContact CD2-OE1 3.34Å; H173-Q229 PolarHBondContact NE2-OE1 3.33Å |
| 174 | S | 75.8 | Confident | 84.3 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 43% | 0.434 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.5 | -177 | 70 | 0 | 0 | 0 | 0 | 113.7 | W55 K170 Y171 | W55-S174 VanDerWaalsContact CD1-O 3.24Å; W55-S174 PolarHBondContact NE1-O 2.94Å; K170-S174 WeakPolarHBondContact O-CB 3.27Å; K170-S174 PolarHBondContact O-OG 2.91Å; Y171-S174 WeakPolarHBondContact CA-OG 3.26Å |
| 175 | R | 76.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 9% | 0.087 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 15 | 178.4 | -52.8 | -173.2 | -178.6 | -156.9 | 3.8 | 113.4 | W55 I143 H144 G145 Y171 H173 R177 | W55-R175 HydrophobicContact CD2-CB 3.98Å; W55-R175 HydrophobicContact CD2-CG 3.89Å; W55-R175 HydrophobicContact CE3-CB 4.14Å; W55-R175 HydrophobicContact CE3-CG 4.03Å; W55-R175 HydrophobicContact CG-CB 4.28Å; W55-R175 HydrophobicContact CH2-CG 3.95Å; W55-R175 HydrophobicContact CZ2-CG 3.79Å; W55-R175 HydrophobicContact CZ3-CG 4.06Å; I143-R175 PolarHBondContact O-NH1 2.6Å; H144-R175 PolarHBondContact O-NH1 3.06Å; G145-R175 VanDerWaalsContact N-NH1 3.12Å; Y171-R175 VanDerWaalsContact CD1-NH2 3.34Å; Y171-R175 VanDerWaalsContact O-CB 3.29Å; Y171-R175 WeakPolarHBondContact O-CB 3.48Å; Y171-R175 VanDerWaalsContact O-CG 3.3Å; Y171-R175 WeakPolarHBondContact O-CG 3.25Å; Y171-R175 PolarHBondContact O-N 2.74Å; H173-R175 PolarHBondContact O-N 2.93Å; R175-R177 HydrophobicContact CB-CG 4.01Å; R175-R177 PolarHBondContact O-N 3.37Å |
| 176 | D | 79.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 35.5 Ų | 35.5 | 38% | 0.38 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 43.9 | -178.9 | -173.6 | 33.2 | 0 | 0 | 0 | 112.4 | K123 H173 | K123-D176 WeakPolarHBondContact CD-O 3.44Å; K123-D176 WeakPolarHBondContact CE-OD2 3.3Å; K123-D176 WeakPolarHBondContact CG-O 3.43Å; K123-D176 IonicContact NZ-OD1 3.55Å; K123-D176 IonicContact NZ-OD2 2.69Å; K123-D176 PolarHBondContact NZ-OD2 2.91Å; H173-D176 PolarHBondContact O-N 2.74Å |
| 177 | R | 85 | Confident | 84.2 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | trans | -85.2 | 132 | 175.4 | -55 | -57.3 | -175.3 | -146.8 | -4.2 | 108.6 | E58 R122 K123 M125 H144 Y172 R175 | E58-R177 IonicContact OE1-NH2 3.48Å; E58-R177 IonicContact OE2-CZ 3.8Å; E58-R177 IonicContact OE2-NH1 3.18Å; E58-R177 PolarHBondContact OE2-NH1 2.89Å; E58-R177 IonicContact OE2-NH2 3.26Å; E58-R177 PolarHBondContact OE2-NH2 2.85Å; R122-R177 PolarHBondContact O-NH1 3.27Å; K123-R177 CarbonylContact O-C 3.55Å; K123-R177 WeakPolarHBondContact O-CA 3.34Å; M125-R177 HydrophobicContact CE-CB 4.11Å; M125-R177 HydrophobicContact CE-CG 3.82Å; H144-R177 PolarHBondContact CE1-NH1 3.35Å; H144-R177 PolarHBondContact CE1-NH2 3.33Å; H144-R177 PolarHBondContact ND1-NH2 3.26Å; H144-R177 VanDerWaalsContact ND1-NH2 3.1Å; H144-R177 VanDerWaalsContact NE2-CZ 3.27Å; H144-R177 PolarHBondContact NE2-NE 3.21Å; H144-R177 PolarHBondContact NE2-NH1 2.81Å; H144-R177 PolarHBondContact O-NH2 2.75Å; Y172-R177 HydrophobicContact CD2-CB 3.76Å; Y172-R177 WeakPolarHBondContact CE1-O 3.47Å; Y172-R177 HydrophobicContact CE2-CB 4.03Å; Y172-R177 VanDerWaalsContact CE2-O 3.29Å; Y172-R177 WeakPolarHBondContact CE2-O 3.45Å; Y172-R177 HydrophobicContact CG-CB 4.42Å; Y172-R177 WeakPolarHBondContact O-CB 3.42Å; Y172-R177 PolarHBondContact O-N 3.32Å; R175-R177 HydrophobicContact CB-CG 4.01Å; R175-R177 PolarHBondContact O-N 3.37Å | ||
| 178 | K | 85.6 | Confident | 84.3 | Confident | 32 Ų | 32 | 31.8 Ų | 31.8 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | trans | -115.6 | -36.3 | -176.7 | -65.7 | -171.4 | 177 | -173.5 | 0 | 112.4 | E92 E94 A95 K123 Y172 | E92-K178 VanDerWaalsContact O-CD 3.29Å; E92-K178 WeakPolarHBondContact O-CD 3.42Å; E92-K178 WeakPolarHBondContact O-CE 3.49Å; E92-K178 PolarHBondContact O-NZ 3.43Å; E92-K178 IonicContact OE2-NZ 2.95Å; E92-K178 PolarHBondContact OE2-NZ 3.21Å; E94-K178 CarbonylContact C-O 3.55Å; E94-K178 VanDerWaalsContact CA-O 3.27Å; E94-K178 WeakPolarHBondContact CA-O 3.21Å; E94-K178 HydrophobicContact CG-CB 4.38Å; E94-K178 HydrophobicContact CG-CG 4.37Å; A95-K178 PolarHBondContact N-O 3.4Å; K123-K178 HydrophobicContact CB-CB 4.14Å; K123-K178 HydrophobicContact CB-CG 4.28Å; K123-K178 HydrophobicContact CD-CD 3.66Å; K123-K178 HydrophobicContact CD-CG 3.84Å; K123-K178 PolarHBondContact O-N 2.9Å; Y172-K178 PolarHBondContact OH-O 2.78Å | ||
| 179 | W | 90.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.2 | -174.4 | -78.3 | 38.8 | 0 | 0 | 0 | 110.5 | V87 I90 E93 A95 V97 L114 V120 K123 M124 M125 I256 | V87-W179 HydrophobicContact CB-CH2 4.11Å; I90-W179 HydrophobicContact CD1-CZ2 4.24Å; I90-W179 HydrophobicContact CG1-CZ2 4.06Å; I90-W179 PolarHBondContact O-NE1 2.77Å; E93-W179 PolarHBondContact O-NE1 3.11Å; E93-W179 VanDerWaalsContact O-NE1 3.08Å; A95-W179 HydrophobicContact CB-CD2 4.24Å; A95-W179 HydrophobicContact CB-CG 4.32Å; A95-W179 CarbonylContact O-C 3.57Å; A95-W179 VanDerWaalsContact O-CA 3.28Å; A95-W179 WeakPolarHBondContact O-CA 3.47Å; V97-W179 HydrophobicContact CG2-CD2 4.27Å; V97-W179 HydrophobicContact CG2-CE3 3.51Å; V97-W179 HydrophobicContact CG2-CZ3 4.03Å; L114-W179 HydrophobicContact CD2-CZ3 4.03Å; V120-W179 HydrophobicContact CB-CD2 4.42Å; V120-W179 HydrophobicContact CB-CE3 4.44Å; V120-W179 HydrophobicContact CG1-CD2 3.62Å; V120-W179 HydrophobicContact CG1-CE3 3.31Å; V120-W179 HydrophobicContact CG1-CG 4.23Å; V120-W179 HydrophobicContact CG1-CH2 4.05Å; V120-W179 HydrophobicContact CG1-CZ2 4.33Å; V120-W179 HydrophobicContact CG1-CZ3 3.56Å; V120-W179 HydrophobicContact CG2-CD2 4.07Å; V120-W179 HydrophobicContact CG2-CE3 4.29Å; V120-W179 HydrophobicContact CG2-CH2 3.74Å; V120-W179 HydrophobicContact CG2-CZ2 3.51Å; V120-W179 HydrophobicContact CG2-CZ3 4.15Å; K123-W179 PolarHBondContact O-N 3.38Å; K123-W179 VanDerWaalsContact O-N 3.13Å; M124-W179 CarbonylContact C-O 3.48Å; M124-W179 VanDerWaalsContact CA-O 3.27Å; M124-W179 WeakPolarHBondContact CA-O 3.29Å; M124-W179 HydrophobicContact CB-CB 4.1Å; M125-W179 PolarHBondContact N-O 3.13Å; W179-I256 HydrophobicContact CD2-CD1 4.31Å; W179-I256 HydrophobicContact CE3-CD1 3.99Å; W179-I256 HydrophobicContact CH2-CD1 3.2Å; W179-I256 HydrophobicContact CZ2-CD1 3.54Å; W179-I256 HydrophobicContact CZ3-CD1 3.43Å; W179-I256 VanDerWaalsContact CZ3-CD1 3.43Å |
| 180 | I | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.5 | 174.3 | -56.3 | -176.1 | 0 | 0 | 0 | 109 | A95 V97 L127 L168 Y172 I222 L226 | A95-I180 PolarHBondContact O-N 3.39Å; V97-I180 PolarHBondContact N-O 3.15Å; L127-I180 HydrophobicContact CD1-CG2 3.53Å; L168-I180 HydrophobicContact CD2-CD1 3.53Å; Y172-I180 HydrophobicContact CD2-CD1 3.74Å; Y172-I180 HydrophobicContact CD2-CG1 3.96Å; Y172-I180 HydrophobicContact CE2-CD1 3.46Å; Y172-I180 VanDerWaalsContact CE2-CD1 3.46Å; Y172-I180 HydrophobicContact CE2-CG1 3.36Å; I180-I222 HydrophobicContact CD1-CG2 3.91Å; I180-I222 HydrophobicContact CG2-CD1 3.92Å; I180-L226 HydrophobicContact CD1-CD1 3.7Å |
| 181 | V | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.6 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | V97 V99 L110 M125 W126 L127 | V97-V181 HydrophobicContact CB-CG2 4.16Å; V97-V181 HydrophobicContact CG2-CG2 4.27Å; V99-V181 HydrophobicContact CG2-CG1 4.03Å; L110-V181 HydrophobicContact CD1-CG1 4.04Å; M125-V181 PolarHBondContact O-N 3.26Å; W126-V181 HydrophobicContact CD2-CB 4.41Å; W126-V181 HydrophobicContact CE3-CB 3.8Å; W126-V181 HydrophobicContact CE3-CG1 3.82Å; W126-V181 HydrophobicContact CE3-CG2 4.48Å; W126-V181 HydrophobicContact CH2-CG1 4.2Å; W126-V181 HydrophobicContact CZ3-CB 3.88Å; W126-V181 HydrophobicContact CZ3-CG1 3.46Å; W126-V181 VanDerWaalsContact CZ3-CG1 3.46Å; W126-V181 HydrophobicContact CZ3-CG2 4.36Å; L127-V181 PolarHBondContact N-O 3.41Å |
| 182 | L | 92.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.6 | 175.5 | 68.7 | 152.7 | 0 | 0 | 0 | 112 | M96 V97 I98 V99 L127 P184 A218 T219 I222 | M96-L182 HydrophobicContact CG-CD2 3.36Å; M96-L182 HydrophobicContact SD-CD2 3.85Å; V97-L182 VanDerWaalsContact O-CD2 3.31Å; V97-L182 WeakPolarHBondContact O-CD2 3.41Å; V97-L182 PolarHBondContact O-N 3.3Å; I98-L182 HydrophobicContact CG2-CD1 4.37Å; I98-L182 HydrophobicContact CG2-CD2 3.95Å; I98-L182 HydrophobicContact CG2-CG 4.1Å; V99-L182 PolarHBondContact N-O 3.08Å; L127-L182 HydrophobicContact CB-CB 4.22Å; L127-L182 HydrophobicContact CD2-CB 4.19Å; L182-P184 HydrophobicContact CD1-CG 4.14Å; L182-P184 HydrophobicContact CG-CG 4.36Å; L182-P184 WeakPolarHBondContact O-CD 3Å; L182-A218 HydrophobicContact CD1-CB 4.43Å; L182-T219 WeakPolarHBondContact CD1-OG1 3.44Å; L182-I222 HydrophobicContact CD1-CD1 4.3Å; L182-I222 HydrophobicContact CD2-CD1 4.19Å |
| 183 | F | 92.4 | Very high | 85.8 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | trans | -113 | 90.5 | 175.1 | -63.4 | -83.7 | 0 | 0 | 0 | 109.1 | V99 H101 D106 V107 L110 W126 E185 G186 | V99-F183 HydrophobicContact CB-CD1 3.82Å; V99-F183 HydrophobicContact CB-CE1 3.71Å; V99-F183 HydrophobicContact CG1-CD1 4.41Å; V99-F183 HydrophobicContact CG1-CE1 3.96Å; V99-F183 HydrophobicContact CG2-CE1 4.38Å; H101-F183 HydrophobicContact CB-CB 4.06Å; H101-F183 HydrophobicContact CB-CD1 3.71Å; H101-F183 HydrophobicContact CB-CG 4.19Å; H101-F183 AromaticContact CG-CD1 3.71Å; H101-F183 AromaticContact CG-CG 3.99Å; H101-F183 AromaticContact ND1-CD1 3.74Å; H101-F183 AromaticContact ND1-CE1 3.89Å; D106-F183 HydrophobicContact CB-CE1 4.11Å; D106-F183 HydrophobicContact CB-CZ 4.42Å; V107-F183 HydrophobicContact CG2-CE2 4.23Å; V107-F183 HydrophobicContact CG2-CZ 4.12Å; L110-F183 HydrophobicContact CD1-CE1 4.23Å; L110-F183 HydrophobicContact CD1-CZ 3.79Å; W126-F183 HydrophobicContact CE3-CE2 4.47Å; W126-F183 HydrophobicContact CZ3-CE2 4.2Å; W126-F183 HydrophobicContact CZ3-CZ 4.34Å; F183-E185 PolarHBondContact O-N 3.39Å; F183-E185 VanDerWaalsContact O-N 3.08Å; F183-G186 PolarHBondContact O-N 2.91Å | ||
| 184 | P | 89.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23 | -172.8 | -25.2 | 34.7 | 0 | 0 | 0 | 114.3 | I98 V99 L182 G186 P214 R215 F310 | I98-P184 HydrophobicContact CB-CG 3.9Å; I98-P184 HydrophobicContact CG2-CG 3.85Å; V99-P184 WeakPolarHBondContact O-CD 3.41Å; L182-P184 HydrophobicContact CD1-CG 4.14Å; L182-P184 HydrophobicContact CG-CG 4.36Å; L182-P184 WeakPolarHBondContact O-CD 3Å; P184-G186 PolarHBondContact O-N 3.1Å; P184-G186 VanDerWaalsContact O-N 3.12Å; P184-P214 HydrophobicContact CB-CB 3.61Å; P184-R215 PolarHBondContact O-N 3.42Å; P184-F310 HydrophobicContact CB-CE2 4.14Å; P184-F310 HydrophobicContact CB-CZ 3.94Å; P184-F310 HydrophobicContact CG-CE2 4.24Å; P184-F310 HydrophobicContact CG-CZ 4.09Å |
| 185 | E | 86.7 | Confident | 87 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.4 | 172.6 | -64.2 | -161.9 | -137.1 | 0 | 0 | 112.3 | N100 H101 F183 G187 R192 T212 F310 | N100-E185 VanDerWaalsContact CA-OE1 3.26Å; N100-E185 WeakPolarHBondContact CA-OE1 3.37Å; N100-E185 WeakPolarHBondContact CB-OE1 3.39Å; H101-E185 HydrophobicContact CB-CB 4.28Å; H101-E185 PolarHBondContact N-OE1 2.86Å; F183-E185 PolarHBondContact O-N 3.39Å; F183-E185 VanDerWaalsContact O-N 3.08Å; E185-G187 VanDerWaalsContact C-N 3.32Å; E185-R192 PolarHBondContact O-NH1 3.41Å; E185-R192 PolarHBondContact O-NH2 3.3Å; E185-T212 VanDerWaalsContact CB-OG1 3.27Å; E185-T212 WeakPolarHBondContact CB-OG1 3.22Å; E185-T212 WeakPolarHBondContact CG-OG1 3.45Å; E185-T212 WeakPolarHBondContact OE2-CB 3.49Å; E185-T212 PolarHBondContact OE2-N 3.14Å; E185-T212 VanDerWaalsContact OE2-N 3.13Å; E185-T212 PolarHBondContact OE2-OG1 3.15Å; E185-F310 HydrophobicContact CG-CD1 4.47Å; E185-F310 HydrophobicContact CG-CE1 3.56Å; E185-F310 HydrophobicContact CG-CZ 4.24Å |
| 186 | G | 80.5 | Confident | 87.6 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | trans | 69 | 29.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q151 F183 P184 R192 | Q151-G186 PolarHBondContact NE2-O 3.5Å; Q151-G186 VanDerWaalsContact NE2-O 3.15Å; Q151-G186 PolarHBondContact OE1-O 3.03Å; F183-G186 PolarHBondContact O-N 2.91Å; P184-G186 PolarHBondContact O-N 3.1Å; P184-G186 VanDerWaalsContact O-N 3.12Å; G186-R192 PolarHBondContact O-NH1 3.22Å | ||
| 187 | G | 84.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 157.5 | 165.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E185 | E185-G187 VanDerWaalsContact C-N 3.32Š|
| 188 | F | 87 | Confident | 88.4 | Confident | 45 Ų | 45 | 51 Ų | 51 | 20% | 0.197 | 24% | 0.238 | C | C | . | . | trans | -62.7 | 138 | 179.7 | -52.2 | -61.5 | 0 | 0 | 0 | 112 | H101 T104 R190 K191 R192 | H101-F188 AromaticContact CD2-CD1 3.78Å; H101-F188 AromaticContact CE1-CD1 3.39Å; H101-F188 WeakPolarHBondContact CE1-CD1 3.46Å; H101-F188 AromaticContact CE1-CE1 3.24Å; H101-F188 WeakPolarHBondContact CE1-CE1 3.5Å; H101-F188 AromaticContact ND1-CD1 3.93Å; H101-F188 AromaticContact NE2-CD1 3.24Å; H101-F188 WeakPolarHBondContact NE2-CD1 3.47Å; H101-F188 AromaticContact NE2-CE1 3.15Å; H101-F188 WeakPolarHBondContact NE2-CE1 3.43Å; T104-F188 HydrophobicContact CG2-CE1 3.85Å; T104-F188 HydrophobicContact CG2-CE2 4.31Å; T104-F188 HydrophobicContact CG2-CZ 3.46Å; T104-F188 VanDerWaalsContact CG2-CZ 3.46Å; F188-R190 VanDerWaalsContact C-N 3.28Å; F188-R190 PolarHBondContact O-N 3.15Å; F188-R190 VanDerWaalsContact O-N 3.16Å; F188-K191 HydrophobicContact CD2-CD 4.34Å; F188-K191 PolarHBondContact O-N 2.95Å; F188-R192 PolarHBondContact O-N 3.37Å; F188-R192 VanDerWaalsContact O-N 3.16Å | ||
| 189 | L | 87.3 | Confident | 88.5 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -42.9 | -51.2 | 176.4 | 178.2 | 62.8 | 0 | 0 | 0 | 112.4 | H101 Q102 K191 R192 R193 H210 T212 | H101-L189 WeakPolarHBondContact O-CB 3.44Å; H101-L189 PolarHBondContact O-N 3.47Å; Q102-L189 HydrophobicContact CG-CD2 4.3Å; L189-K191 PolarHBondContact O-N 3.23Å; L189-K191 VanDerWaalsContact O-N 3.12Å; L189-R192 PolarHBondContact O-N 3.27Å; L189-R193 HydrophobicContact CD1-CB 4.29Å; L189-R193 VanDerWaalsContact O-CB 3.27Å; L189-R193 WeakPolarHBondContact O-CB 3.34Å; L189-R193 PolarHBondContact O-N 3.2Å; L189-H210 WeakPolarHBondContact CD2-O 3.32Å; L189-T212 HydrophobicContact CD1-CG2 3.58Å |
| 190 | R | 85.6 | Confident | 88.5 | Confident | 199 Ų | 199 | 54.1 Ų | 54.1 | 75% | 0.751 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.7 | -35.5 | -179.2 | -176.3 | 179 | 65.7 | 179.8 | -4.9 | 113.4 | F188 | F188-R190 VanDerWaalsContact C-N 3.28Å; F188-R190 PolarHBondContact O-N 3.15Å; F188-R190 VanDerWaalsContact O-N 3.16Å |
| 191 | K | 86.1 | Confident | 88.5 | Confident | 148 Ų | 148 | 62.6 Ų | 62.6 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -86 | -25.6 | -178.8 | -67.2 | -173.2 | 178.1 | -177.9 | 0 | 112.8 | F188 L189 | F188-K191 HydrophobicContact CD2-CD 4.34Å; F188-K191 PolarHBondContact O-N 2.95Å; L189-K191 PolarHBondContact O-N 3.23Å; L189-K191 VanDerWaalsContact O-N 3.12Å |
| 192 | R | 87.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 71 Ų | 71 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -107.4 | -18.2 | -169.1 | -75.9 | -69.7 | -62.5 | -75.8 | -14.9 | 114.3 | E185 G186 F188 L189 E194 T195 S196 T212 R215 | E185-R192 PolarHBondContact O-NH1 3.41Å; E185-R192 PolarHBondContact O-NH2 3.3Å; G186-R192 PolarHBondContact O-NH1 3.22Å; F188-R192 PolarHBondContact O-N 3.37Å; F188-R192 VanDerWaalsContact O-N 3.16Å; L189-R192 PolarHBondContact O-N 3.27Å; R192-E194 PolarHBondContact O-N 3.32Å; R192-T195 PolarHBondContact O-N 2.82Å; R192-S196 VanDerWaalsContact O-CB 3.26Å; R192-S196 WeakPolarHBondContact O-CB 3.15Å; R192-S196 PolarHBondContact O-N 2.95Å; R192-T212 HydrophobicContact CB-CG2 3.9Å; R192-R215 VanDerWaalsContact CZ-NH2 3.34Å |
| 193 | R | 88.3 | Confident | 88.2 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.1 | -54.2 | -175.1 | -175.7 | 173.9 | 65.1 | -176.9 | 2.1 | 112.6 | L189 T195 S196 Q197 | L189-R193 HydrophobicContact CD1-CB 4.29Å; L189-R193 VanDerWaalsContact O-CB 3.27Å; L189-R193 WeakPolarHBondContact O-CB 3.34Å; L189-R193 PolarHBondContact O-N 3.2Å; R193-T195 PolarHBondContact O-N 3.04Å; R193-S196 WeakPolarHBondContact O-CB 3.15Å; R193-S196 PolarHBondContact O-N 3.15Å; R193-Q197 HydrophobicContact CG-CG 4.46Å; R193-Q197 WeakPolarHBondContact O-CB 3.21Å; R193-Q197 VanDerWaalsContact O-CG 3.25Å; R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 2.95Å |
| 194 | E | 88.8 | Confident | 88.1 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -49.4 | -177.1 | -174.1 | 179.5 | -175.5 | 0 | 0 | 112.1 | R192 S196 Q197 L198 | R192-E194 PolarHBondContact O-N 3.32Å; E194-S196 VanDerWaalsContact C-N 3.29Å; E194-S196 PolarHBondContact O-N 2.9Å; E194-Q197 PolarHBondContact O-N 3.19Å; E194-L198 WeakPolarHBondContact O-CG 3.4Å; E194-L198 PolarHBondContact O-N 3.37Å |
| 195 | T | 88.5 | Confident | 88.1 | Confident | 88 Ų | 88 | 80.9 Ų | 80.9 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 177.5 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | R192 R193 F199 | R192-T195 PolarHBondContact O-N 2.82Å; R193-T195 PolarHBondContact O-N 3.04Å; T195-F199 WeakPolarHBondContact O-CB 3.37Å; T195-F199 PolarHBondContact O-N 3.41Å |
| 196 | S | 89.1 | Confident | 88 | Confident | 10 Ų | 10 | 83.9 Ų | 83.9 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | R192 R193 E194 F199 A200 L213 | R192-S196 VanDerWaalsContact O-CB 3.26Å; R192-S196 WeakPolarHBondContact O-CB 3.15Å; R192-S196 PolarHBondContact O-N 2.95Å; R193-S196 WeakPolarHBondContact O-CB 3.15Å; R193-S196 PolarHBondContact O-N 3.15Å; E194-S196 VanDerWaalsContact C-N 3.29Å; E194-S196 PolarHBondContact O-N 2.9Å; S196-F199 PolarHBondContact O-N 3.42Å; S196-A200 WeakPolarHBondContact O-CB 3.46Å; S196-A200 PolarHBondContact O-N 3.31Å; S196-L213 PolarHBondContact OG-N 3.12Å |
| 197 | Q | 91.1 | Very high | 88.4 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 22% | 0.22 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68 | -38.6 | 178.8 | -72.7 | 173.1 | -17.7 | 0 | 0 | 111.9 | R193 E194 F199 A200 K201 H207 L208 | R193-Q197 HydrophobicContact CG-CG 4.46Å; R193-Q197 WeakPolarHBondContact O-CB 3.21Å; R193-Q197 VanDerWaalsContact O-CG 3.25Å; R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 2.95Å; E194-Q197 PolarHBondContact O-N 3.19Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-A200 PolarHBondContact O-N 3.11Å; Q197-K201 WeakPolarHBondContact O-CB 3.43Å; Q197-K201 PolarHBondContact O-N 3.49Å; Q197-H207 PolarHBondContact NE2-CE1 3.45Å; Q197-H207 PolarHBondContact NE2-NE2 3.27Å; Q197-L208 PolarHBondContact NE2-O 3.1Å |
| 198 | L | 90.4 | Very high | 88.6 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 59% | 0.592 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 172.5 | -70 | 172.4 | 0 | 0 | 0 | 111.7 | E194 K201 K202 | E194-L198 WeakPolarHBondContact O-CG 3.4Å; E194-L198 PolarHBondContact O-N 3.37Å; L198-K201 PolarHBondContact O-N 3.08Å; L198-K202 WeakPolarHBondContact O-CB 3.35Å; L198-K202 PolarHBondContact O-N 3.49Å |
| 199 | F | 88 | Confident | 88.7 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 43% | 0.425 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.2 | -178.7 | -92.4 | 0 | 0 | 0 | 111.5 | T195 S196 Q197 K201 K202 N203 L205 L213 | T195-F199 WeakPolarHBondContact O-CB 3.37Å; T195-F199 PolarHBondContact O-N 3.41Å; S196-F199 PolarHBondContact O-N 3.42Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 2.86Å; F199-K202 PolarHBondContact O-N 3.29Å; F199-N203 WeakPolarHBondContact CD2-ND2 3.35Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.32Å; F199-N203 VanDerWaalsContact CZ-ND2 3.32Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.38Å; F199-N203 PolarHBondContact O-N 3.35Å; F199-N203 VanDerWaalsContact O-N 3.11Å; F199-N203 PolarHBondContact O-ND2 2.97Å; F199-L205 HydrophobicContact CD1-CD1 4.34Å; F199-L205 HydrophobicContact CE1-CD1 3.93Å; F199-L213 HydrophobicContact CD1-CD1 3.88Å; F199-L213 HydrophobicContact CE1-CD1 4.42Å |
| 200 | A | 90.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 90.4 Ų | 90.4 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S196 Q197 K202 N203 S204 L205 L213 | S196-A200 WeakPolarHBondContact O-CB 3.46Å; S196-A200 PolarHBondContact O-N 3.31Å; Q197-A200 PolarHBondContact O-N 3.11Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.01Å; A200-N203 CarbonylContact O-C 3.4Å; A200-N203 PolarHBondContact O-N 3.21Å; A200-S204 PolarHBondContact O-N 2.86Å; A200-L205 HydrophobicContact CB-CB 4.12Å; A200-L205 PolarHBondContact O-N 3.38Å; A200-L213 HydrophobicContact CB-CD1 3.75Å |
| 201 | K | 90.8 | Very high | 89 | Confident | 178 Ų | 178 | 81 Ų | 81 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 177.1 | -172.1 | 177.5 | -177.9 | 179 | 0 | 112.7 | Q197 L198 F199 | Q197-K201 WeakPolarHBondContact O-CB 3.43Å; Q197-K201 PolarHBondContact O-N 3.49Å; L198-K201 PolarHBondContact O-N 3.08Å; F199-K201 PolarHBondContact O-N 2.86Å |
| 202 | K | 92.1 | Very high | 89.2 | Confident | 177 Ų | 177 | 74 Ų | 74 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.2 | -33.1 | 179.5 | -175.7 | 176.7 | 178.3 | -179.6 | 0 | 112.8 | L198 F199 A200 | L198-K202 WeakPolarHBondContact O-CB 3.35Å; L198-K202 PolarHBondContact O-N 3.49Å; F199-K202 PolarHBondContact O-N 3.29Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.01Å |
| 203 | N | 88.5 | Confident | 89.3 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 14.1 | -175.7 | -60.7 | -82.9 | 0 | 0 | 0 | 112.8 | F199 A200 L205 | F199-N203 WeakPolarHBondContact CD2-ND2 3.35Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.32Å; F199-N203 VanDerWaalsContact CZ-ND2 3.32Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.38Å; F199-N203 PolarHBondContact O-N 3.35Å; F199-N203 VanDerWaalsContact O-N 3.11Å; F199-N203 PolarHBondContact O-ND2 2.97Å; A200-N203 CarbonylContact O-C 3.4Å; A200-N203 PolarHBondContact O-N 3.21Å; N203-L205 HydrophobicContact CB-CD1 4.07Å; N203-L205 HydrophobicContact CB-CG 4.08Å; N203-L205 PolarHBondContact O-N 3.2Å |
| 204 | S | 90.5 | Very high | 89.4 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.8 | -178.6 | -55.7 | 0 | 0 | 0 | 0 | 114.2 | A200 | A200-S204 PolarHBondContact O-N 2.86Š|
| 205 | L | 88.6 | Confident | 89.3 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | trans | -91.1 | 158.6 | 177.5 | -65.7 | 172.7 | 0 | 0 | 0 | 111 | F199 A200 N203 L213 Y307 | F199-L205 HydrophobicContact CD1-CD1 4.34Å; F199-L205 HydrophobicContact CE1-CD1 3.93Å; A200-L205 HydrophobicContact CB-CB 4.12Å; A200-L205 PolarHBondContact O-N 3.38Å; N203-L205 HydrophobicContact CB-CD1 4.07Å; N203-L205 HydrophobicContact CB-CG 4.08Å; N203-L205 PolarHBondContact O-N 3.2Å; L205-L213 HydrophobicContact CB-CD1 4.3Å; L205-L213 HydrophobicContact CD1-CD1 3.76Å; L205-Y307 HydrophobicContact CD1-CD2 4.31Å; L205-Y307 HydrophobicContact CD1-CE2 3.64Å; L205-Y307 HydrophobicContact CD2-CD2 4.07Å; L205-Y307 HydrophobicContact CD2-CE2 4.07Å | ||
| 206 | P | 85.3 | Confident | 89.2 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | trans | -57.5 | 145.2 | 179.8 | 21.8 | -33.6 | 0 | 0 | 0 | 112.7 | L208 V311 | P206-L208 HydrophobicContact CB-CD2 4.39Å; P206-L208 PolarHBondContact O-N 3.17Å; P206-V311 HydrophobicContact CB-CG2 4.37Å; P206-V311 HydrophobicContact CG-CG2 3.6Å | ||
| 207 | H | 87.9 | Confident | 89 | Confident | 119 Ų | 119 | 63.4 Ų | 63.4 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | trans | -82.4 | 109.9 | 177.4 | -172.7 | 82.6 | 0 | 0 | 0 | 110.4 | Q197 | Q197-H207 PolarHBondContact NE2-CE1 3.45Å; Q197-H207 PolarHBondContact NE2-NE2 3.27Å | ||
| 208 | L | 89.8 | Confident | 88.7 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -100 | 138.3 | 179.8 | -50.1 | 178.4 | 0 | 0 | 0 | 110.6 | Q197 P206 V211 L213 V311 E314 | Q197-L208 PolarHBondContact NE2-O 3.1Å; P206-L208 HydrophobicContact CB-CD2 4.39Å; P206-L208 PolarHBondContact O-N 3.17Å; L208-V211 HydrophobicContact CB-CG2 4.16Å; L208-V211 WeakPolarHBondContact CB-O 3.25Å; L208-V211 HydrophobicContact CD1-CG2 3.94Å; L208-V211 HydrophobicContact CG-CG2 4.49Å; L208-L213 HydrophobicContact CD1-CD2 3.67Å; L208-L213 HydrophobicContact CD1-CG 4.09Å; L208-V311 HydrophobicContact CD2-CG2 4.23Å; L208-E314 HydrophobicContact CD2-CB 3.93Å; L208-E314 HydrophobicContact CD2-CG 4Å | ||
| 209 | T | 87.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -115 | -40.1 | -174.6 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | E314 | T209-E314 WeakPolarHBondContact CB-OE1 3.48Å; T209-E314 VanDerWaalsContact N-CD 3.29Å; T209-E314 PolarHBondContact N-OE1 3.47Å; T209-E314 PolarHBondContact N-OE2 2.95Å; T209-E314 VanDerWaalsContact N-OE2 3.13Å |
| 210 | H | 88.8 | Confident | 88.6 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -98.1 | -14.7 | -175.3 | -55.4 | 98.2 | 0 | 0 | 0 | 113.4 | L189 E314 L317 Y321 | L189-H210 WeakPolarHBondContact CD2-O 3.32Å; H210-E314 WeakPolarHBondContact CA-OE2 3.44Å; H210-E314 WeakPolarHBondContact CB-OE2 3.44Å; H210-E314 IonicContact CE1-OE1 2.92Å; H210-E314 IonicContact CG-OE1 3.1Å; H210-E314 PolarHBondContact N-OE1 3.22Å; H210-E314 VanDerWaalsContact N-OE1 3.14Å; H210-E314 PolarHBondContact N-OE2 3.23Å; H210-E314 IonicContact ND1-OE1 2.73Å; H210-E314 PolarHBondContact ND1-OE1 2.6Å; H210-E314 IonicContact ND1-OE2 3.89Å; H210-L317 HydrophobicContact CB-CB 3.97Å; H210-L317 HydrophobicContact CB-CD1 3.84Å; H210-Y321 HydrophobicContact CB-CE2 4.19Å; H210-Y321 AromaticContact CD2-CD2 3.41Å; H210-Y321 VanDerWaalsContact CD2-CD2 3.41Å; H210-Y321 WeakPolarHBondContact CD2-CD2 3.43Å; H210-Y321 AromaticContact CD2-CE2 3.25Å; H210-Y321 WeakPolarHBondContact CD2-CE2 3.32Å; H210-Y321 AromaticContact CG-CE2 3.81Å; H210-Y321 AromaticContact NE2-CD2 3.56Å; H210-Y321 AromaticContact NE2-CE2 3.93Å |
| 211 | V | 91.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -132.5 | 169.7 | 170.5 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | N100 L208 F310 K313 E314 L317 | N100-V211 HydrophobicContact CB-CG1 4.09Å; L208-V211 HydrophobicContact CB-CG2 4.16Å; L208-V211 WeakPolarHBondContact CB-O 3.25Å; L208-V211 HydrophobicContact CD1-CG2 3.94Å; L208-V211 HydrophobicContact CG-CG2 4.49Å; V211-F310 HydrophobicContact CB-CD1 4.11Å; V211-F310 HydrophobicContact CG2-CB 4.45Å; V211-F310 HydrophobicContact CG2-CD1 4.16Å; V211-F310 WeakPolarHBondContact CG2-O 3.28Å; V211-K313 HydrophobicContact CG1-CB 4.11Å; V211-E314 HydrophobicContact CG2-CB 4.23Å; V211-E314 PolarHBondContact N-OE2 3.28Å; V211-E314 VanDerWaalsContact N-OE2 3.13Å; V211-L317 HydrophobicContact CG1-CD1 3.65Å |
| 212 | T | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -112.1 | 157.5 | 170.2 | 67 | 0 | 0 | 0 | 0 | 112.5 | E185 L189 R192 F310 | E185-T212 VanDerWaalsContact CB-OG1 3.27Å; E185-T212 WeakPolarHBondContact CB-OG1 3.22Å; E185-T212 WeakPolarHBondContact CG-OG1 3.45Å; E185-T212 WeakPolarHBondContact OE2-CB 3.49Å; E185-T212 PolarHBondContact OE2-N 3.14Å; E185-T212 VanDerWaalsContact OE2-N 3.13Å; E185-T212 PolarHBondContact OE2-OG1 3.15Å; L189-T212 HydrophobicContact CD1-CG2 3.58Å; R192-T212 HydrophobicContact CB-CG2 3.9Å; T212-F310 VanDerWaalsContact O-CD1 3.26Å; T212-F310 WeakPolarHBondContact O-CD1 3Å | ||
| 213 | L | 89.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 128.5 | 177.8 | -73.6 | 170.8 | 0 | 0 | 0 | 109.9 | S196 F199 A200 L205 L208 Y307 | S196-L213 PolarHBondContact OG-N 3.12Å; F199-L213 HydrophobicContact CD1-CD1 3.88Å; F199-L213 HydrophobicContact CE1-CD1 4.42Å; A200-L213 HydrophobicContact CB-CD1 3.75Å; L205-L213 HydrophobicContact CB-CD1 4.3Å; L205-L213 HydrophobicContact CD1-CD1 3.76Å; L208-L213 HydrophobicContact CD1-CD2 3.67Å; L208-L213 HydrophobicContact CD1-CG 4.09Å; L213-Y307 HydrophobicContact CD2-CD1 4.25Å; L213-Y307 HydrophobicContact CD2-CE1 4.34Å; L213-Y307 HydrophobicContact CD2-CG 4.44Å |
| 214 | P | 89.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 156.9 | -174.3 | 31.3 | -36.7 | 0 | 0 | 0 | 111.8 | P184 L306 Y307 F310 | P184-P214 HydrophobicContact CB-CB 3.61Å; P214-L306 HydrophobicContact CB-CD2 3.7Å; P214-L306 HydrophobicContact CB-CG 3.86Å; P214-L306 HydrophobicContact CG-CB 4.38Å; P214-L306 HydrophobicContact CG-CD2 3.81Å; P214-L306 HydrophobicContact CG-CG 3.57Å; P214-Y307 HydrophobicContact CG-CD1 3.7Å; P214-Y307 HydrophobicContact CG-CE1 3.99Å; P214-F310 HydrophobicContact CB-CD1 4.48Å; P214-F310 HydrophobicContact CB-CD2 3.82Å; P214-F310 HydrophobicContact CB-CE1 4.32Å; P214-F310 HydrophobicContact CB-CE2 3.6Å; P214-F310 HydrophobicContact CB-CG 4.25Å; P214-F310 HydrophobicContact CB-CZ 3.88Å; P214-F310 HydrophobicContact CG-CB 4.35Å; P214-F310 HydrophobicContact CG-CD1 4.46Å; P214-F310 HydrophobicContact CG-CD2 3.53Å; P214-F310 HydrophobicContact CG-CE2 3.87Å; P214-F310 HydrophobicContact CG-CG 3.84Å; P214-F310 HydrophobicContact CG-CZ 4.48Å |
| 215 | R | 87.2 | Confident | 87.8 | Confident | 94 Ų | 94 | 35.7 Ų | 35.7 | 36% | 0.355 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -98.6 | 130.4 | 173.7 | -64.4 | -179 | 173 | 178.9 | -1.8 | 109.7 | P184 R192 | P184-R215 PolarHBondContact O-N 3.42Å; R192-R215 VanDerWaalsContact CZ-NH2 3.34Å |
| 216 | L | 86.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.4 | -35 | -176.8 | -173.2 | 70.8 | 0 | 0 | 0 | 114.3 | A218 T219 H220 A299 L302 T303 | L216-A218 PolarHBondContact O-N 3.41Å; L216-T219 PolarHBondContact O-N 3.25Å; L216-H220 HydrophobicContact CD1-CB 4.39Å; L216-H220 HydrophobicContact CG-CB 4.01Å; L216-H220 WeakPolarHBondContact O-CB 3.44Å; L216-H220 PolarHBondContact O-N 3.44Å; L216-A299 HydrophobicContact CD2-CB 4.12Å; L216-A299 WeakPolarHBondContact CD2-O 3.19Å; L216-L302 HydrophobicContact CD1-CB 4.01Å; L216-L302 HydrophobicContact CD1-CD2 3.66Å; L216-L302 HydrophobicContact CD1-CG 3.57Å; L216-T303 WeakPolarHBondContact CD2-OG1 3.29Å |
| 217 | G | 84.6 | Confident | 87.2 | Confident | 27 Ų | 27 | 31 Ų | 31 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.3 | -54.2 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L161 V221 | L161-G217 VanDerWaalsContact CD2-C 3.47Å; G217-V221 WeakPolarHBondContact O-CG2 3.18Å; G217-V221 PolarHBondContact O-N 3.45Å; G217-V221 VanDerWaalsContact O-N 3.11Å |
| 218 | A | 85.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.1 | -45.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L127 L164 L182 L216 H220 V221 I222 | L127-A218 HydrophobicContact CD2-CB 4.15Å; L164-A218 HydrophobicContact CD2-CB 4.14Å; L182-A218 HydrophobicContact CD1-CB 4.43Å; L216-A218 PolarHBondContact O-N 3.41Å; A218-H220 PolarHBondContact O-N 2.88Å; A218-V221 PolarHBondContact O-N 3.47Å; A218-I222 WeakPolarHBondContact O-CD1 3.35Å; A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.34Å; A218-I222 PolarHBondContact O-N 3.41Å |
| 219 | T | 88 | Confident | 84.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.5 | -48.5 | 177.2 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | M96 L182 L216 I222 L223 | M96-T219 HydrophobicContact CE-CG2 3.58Å; M96-T219 HydrophobicContact SD-CG2 4.05Å; L182-T219 WeakPolarHBondContact CD1-OG1 3.44Å; L216-T219 PolarHBondContact O-N 3.25Å; T219-I222 PolarHBondContact O-N 3Å; T219-L223 HydrophobicContact CG2-CD1 4.03Å; T219-L223 WeakPolarHBondContact O-CB 3.26Å; T219-L223 VanDerWaalsContact O-CG 3.29Å; T219-L223 WeakPolarHBondContact O-CG 3.41Å; T219-L223 PolarHBondContact O-N 3.19Å |
| 220 | H | 88.6 | Confident | 83.1 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 20% | 0.199 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | -179.7 | -177.3 | 70.2 | 0 | 0 | 0 | 112.5 | L216 A218 K224 M297 L302 | L216-H220 HydrophobicContact CD1-CB 4.39Å; L216-H220 HydrophobicContact CG-CB 4.01Å; L216-H220 WeakPolarHBondContact O-CB 3.44Å; L216-H220 PolarHBondContact O-N 3.44Å; A218-H220 PolarHBondContact O-N 2.88Å; H220-K224 WeakPolarHBondContact O-CB 3.2Å; H220-K224 PolarHBondContact O-N 3.46Å; H220-M297 PolarHBondContact CE1-O 2.76Å; H220-M297 VanDerWaalsContact CE1-O 3.27Å; H220-L302 HydrophobicContact CB-CD2 3.82Å |
| 221 | V | 88 | Confident | 81.6 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | L161 L164 K165 G217 A218 T225 | L161-V221 HydrophobicContact CB-CG2 4.07Å; L161-V221 HydrophobicContact CD2-CG2 4.08Å; L161-V221 HydrophobicContact CG-CG2 4.46Å; L164-V221 HydrophobicContact CB-CG1 4.42Å; L164-V221 HydrophobicContact CD2-CB 4.26Å; L164-V221 HydrophobicContact CD2-CG1 4.04Å; L164-V221 HydrophobicContact CG-CG1 4.11Å; K165-V221 HydrophobicContact CB-CG1 4.04Å; G217-V221 WeakPolarHBondContact O-CG2 3.18Å; G217-V221 PolarHBondContact O-N 3.45Å; G217-V221 VanDerWaalsContact O-N 3.11Å; A218-V221 PolarHBondContact O-N 3.47Å; V221-T225 VanDerWaalsContact O-CB 3.24Å; V221-T225 WeakPolarHBondContact O-CB 3.27Å; V221-T225 PolarHBondContact O-N 3.49Å; V221-T225 PolarHBondContact O-OG1 3.19Å |
| 222 | I | 87.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -53.9 | 178.4 | -69.7 | 161.2 | 0 | 0 | 0 | 110.2 | M96 L127 L164 L168 I180 L182 A218 T219 K224 T225 L226 | M96-I222 HydrophobicContact CG-CG2 4.2Å; M96-I222 HydrophobicContact SD-CB 4.01Å; M96-I222 HydrophobicContact SD-CD1 4.4Å; M96-I222 HydrophobicContact SD-CG2 3.69Å; L127-I222 HydrophobicContact CD2-CD1 3.81Å; L164-I222 HydrophobicContact CD2-CG1 4.25Å; L168-I222 HydrophobicContact CD1-CB 4.45Å; L168-I222 HydrophobicContact CD1-CG1 3.88Å; I180-I222 HydrophobicContact CD1-CG2 3.91Å; I180-I222 HydrophobicContact CG2-CD1 3.92Å; L182-I222 HydrophobicContact CD1-CD1 4.3Å; L182-I222 HydrophobicContact CD2-CD1 4.19Å; A218-I222 WeakPolarHBondContact O-CD1 3.35Å; A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.34Å; A218-I222 PolarHBondContact O-N 3.41Å; T219-I222 PolarHBondContact O-N 3Å; I222-K224 PolarHBondContact O-N 3.3Å; I222-T225 PolarHBondContact O-N 3.18Å; I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.42Å; I222-L226 WeakPolarHBondContact O-CB 3.16Å; I222-L226 WeakPolarHBondContact O-CG 3.39Å; I222-L226 PolarHBondContact O-N 3.28Å |
| 223 | L | 87.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.4 | -52.4 | 179.1 | -71.1 | 172.1 | 0 | 0 | 0 | 110.6 | M96 T219 T225 S227 L252 V255 I292 V295 M297 L302 | M96-L223 HydrophobicContact CE-CD1 4.05Å; M96-L223 HydrophobicContact CE-CD2 3.63Å; M96-L223 HydrophobicContact CE-CG 3.74Å; M96-L223 HydrophobicContact SD-CD2 4.35Å; M96-L223 HydrophobicContact SD-CG 4.21Å; T219-L223 HydrophobicContact CG2-CD1 4.03Å; T219-L223 WeakPolarHBondContact O-CB 3.26Å; T219-L223 VanDerWaalsContact O-CG 3.29Å; T219-L223 WeakPolarHBondContact O-CG 3.41Å; T219-L223 PolarHBondContact O-N 3.19Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.06Å; L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 2.98Å; L223-S227 PolarHBondContact O-OG 3.42Å; L223-L252 HydrophobicContact CD2-CD2 3.69Å; L223-V255 HydrophobicContact CD2-CG2 4.09Å; L223-I292 HydrophobicContact CD2-CD1 3.48Å; L223-I292 VanDerWaalsContact CD2-CD1 3.48Å; L223-V295 HydrophobicContact CD1-CG1 3.94Å; L223-V295 HydrophobicContact CD2-CG1 4.4Å; L223-M297 HydrophobicContact CB-CE 4.21Å; L223-M297 HydrophobicContact CB-SD 4.15Å; L223-L302 HydrophobicContact CD1-CD1 3.61Å; L223-L302 HydrophobicContact CD1-CD2 3.7Å; L223-L302 HydrophobicContact CD1-CG 4.33Å |
| 224 | K | 86.8 | Confident | 75.4 | Confident | 126 Ų | 126 | 48.2 Ų | 48.2 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | -178.2 | -172.5 | 173.7 | -176.7 | 171.6 | 0 | 112.8 | H220 I222 A228 | H220-K224 WeakPolarHBondContact O-CB 3.2Å; H220-K224 PolarHBondContact O-N 3.46Å; I222-K224 PolarHBondContact O-N 3.3Å; K224-A228 WeakPolarHBondContact O-CB 3.1Å; K224-A228 PolarHBondContact O-N 2.89Å; K224-A228 VanDerWaalsContact O-N 3.11Å |
| 225 | T | 84.6 | Confident | 73 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.6 | -44.3 | -175.9 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | K165 L168 E169 V221 I222 L223 Q229 | K165-T225 HydrophobicContact CG-CG2 4.15Å; L168-T225 HydrophobicContact CB-CG2 4.25Å; E169-T225 HydrophobicContact CG-CG2 3.95Å; V221-T225 VanDerWaalsContact O-CB 3.24Å; V221-T225 WeakPolarHBondContact O-CB 3.27Å; V221-T225 PolarHBondContact O-N 3.49Å; V221-T225 PolarHBondContact O-OG1 3.19Å; I222-T225 PolarHBondContact O-N 3.18Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.06Å; T225-Q229 WeakPolarHBondContact O-CG 3.4Å |
| 226 | L | 82.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -80.2 | -32.7 | -176.5 | -59.2 | -177.5 | 0 | 0 | 0 | 112.7 | Y172 I180 I222 L252 | Y172-L226 HydrophobicContact CD1-CD1 4.47Å; Y172-L226 HydrophobicContact CD1-CD2 3.53Å; Y172-L226 HydrophobicContact CE1-CD1 3.88Å; Y172-L226 HydrophobicContact CE1-CD2 3.62Å; Y172-L226 HydrophobicContact CE1-CG 4.39Å; Y172-L226 HydrophobicContact CE2-CD1 4.41Å; Y172-L226 HydrophobicContact CG-CD2 4.17Å; I180-L226 HydrophobicContact CD1-CD1 3.7Å; I222-L226 HydrophobicContact CG2-CD1 3.81Å; I222-L226 HydrophobicContact CG2-CG 4.42Å; I222-L226 WeakPolarHBondContact O-CB 3.16Å; I222-L226 WeakPolarHBondContact O-CG 3.39Å; I222-L226 PolarHBondContact O-N 3.28Å; L226-L252 HydrophobicContact CB-CB 3.76Å; L226-L252 HydrophobicContact CB-CD2 4.38Å; L226-L252 HydrophobicContact CD1-CB 4.36Å; L226-L252 HydrophobicContact CD1-CD1 4.2Å; L226-L252 HydrophobicContact CD1-CD2 4.43Å |
| 227 | S | 79.3 | Confident | 68.4 | Low | 13 Ų | 13 | 54.9 Ų | 54.9 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.2 | -36.1 | 175.8 | -55 | 0 | 0 | 0 | 0 | 112.8 | L223 Q229 Q230 E231 | L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 2.98Å; L223-S227 PolarHBondContact O-OG 3.42Å; S227-Q229 PolarHBondContact O-N 3.38Å; S227-Q230 WeakPolarHBondContact O-CB 3.18Å; S227-Q230 PolarHBondContact O-N 3.16Å; S227-E231 PolarHBondContact O-N 2.91Å |
| 228 | A | 64.8 | Low | 66.3 | Low | 38 Ų | 38 | 62 Ų | 62 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -26.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K224 Q230 E231 N232 | K224-A228 WeakPolarHBondContact O-CB 3.1Å; K224-A228 PolarHBondContact O-N 2.89Å; K224-A228 VanDerWaalsContact O-N 3.11Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-E231 PolarHBondContact O-N 3.16Å; A228-N232 PolarHBondContact O-N 3.45Å; A228-N232 VanDerWaalsContact O-N 3.13Å |
| 229 | Q | 57 | Low | 64 | Low | 69 Ų | 69 | 65.3 Ų | 65.3 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73 | -23.7 | 174.6 | -71.4 | 179.9 | -22 | 0 | 0 | 112.5 | H173 T225 S227 G233 | H173-Q229 PolarHBondContact CD2-OE1 3.34Å; H173-Q229 PolarHBondContact NE2-OE1 3.33Å; T225-Q229 WeakPolarHBondContact O-CG 3.4Å; S227-Q229 PolarHBondContact O-N 3.38Å; Q229-G233 PolarHBondContact O-N 3.33Å |
| 230 | Q | 58.2 | Low | 61.8 | Low | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 172.4 | -166 | 179.7 | 9.7 | 0 | 0 | 111.3 | S227 A228 S234 K250 | S227-Q230 WeakPolarHBondContact O-CB 3.18Å; S227-Q230 PolarHBondContact O-N 3.16Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; Q230-S234 PolarHBondContact O-N 3.06Å; Q230-K250 PolarHBondContact NE2-O 3.36Å |
| 231 | E | 55.6 | Low | 59.2 | Low | 143 Ų | 143 | 73.7 Ų | 73.7 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.4 | -46.5 | 177 | -68.6 | -178.3 | 168.5 | 0 | 0 | 111.4 | S227 A228 G233 S234 | S227-E231 PolarHBondContact O-N 2.91Å; A228-E231 PolarHBondContact O-N 3.16Å; E231-G233 VanDerWaalsContact C-N 3.29Å; E231-G233 PolarHBondContact O-N 2.85Å; E231-S234 PolarHBondContact O-N 3.12Å; E231-S234 VanDerWaalsContact O-N 3.09Å; E231-S234 PolarHBondContact O-OG 3.35Å |
| 232 | N | 50.6 | Low | 57.1 | Low | 128 Ų | 128 | 83.4 Ų | 83.4 | 68% | 0.684 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -28.6 | 178.4 | -72.4 | -17.8 | 0 | 0 | 0 | 113.3 | A228 S234 | A228-N232 PolarHBondContact O-N 3.45Å; A228-N232 VanDerWaalsContact O-N 3.13Å; N232-S234 VanDerWaalsContact C-N 3.29Å |
| 233 | G | 47.2 | Very low | 54.8 | Low | 52 Ų | 52 | 90.4 Ų | 90.4 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q229 E231 | Q229-G233 PolarHBondContact O-N 3.33Å; E231-G233 VanDerWaalsContact C-N 3.29Å; E231-G233 PolarHBondContact O-N 2.85Å |
| 234 | S | 43.1 | Very low | 52.3 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -7.2 | -178.3 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | Q230 E231 N232 G236 | Q230-S234 PolarHBondContact O-N 3.06Å; E231-S234 PolarHBondContact O-N 3.12Å; E231-S234 VanDerWaalsContact O-N 3.09Å; E231-S234 PolarHBondContact O-OG 3.35Å; N232-S234 VanDerWaalsContact C-N 3.29Å; S234-G236 PolarHBondContact O-N 3.38Å |
| 235 | V | 39.1 | Very low | 49.8 | Very low | 132 Ų | 132 | 99.9 Ų | 99.9 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -90 | 74.6 | 173.7 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 236 | G | 42.8 | Very low | 47.6 | Very low | 53 Ų | 53 | 104.8 Ų | 104.8 | 55% | 0.546 | 62% | 0.618 | S | S | . | * | S | Bend | trans | 164.8 | 99.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S234 | S234-G236 PolarHBondContact O-N 3.38Š|
| 237 | S | 35.3 | Very low | 45.5 | Very low | 95 Ų | 95 | 112.3 Ų | 112.3 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | trans | 116.5 | 71.7 | 155.7 | -160.7 | 0 | 0 | 0 | 0 | 115.1 | S239 | S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact OG-O 3.5Å | ||
| 238 | D | 39.9 | Very low | 43.9 | Very low | 177 Ų | 177 | 119.4 Ų | 119.4 | 95% | 0.947 | 69% | 0.688 | S | S | * | * | trans | -82.7 | 83.9 | 135.6 | -106.2 | -12 | 0 | 0 | 0 | 107.3 | ||||
| 239 | S | 37.2 | Very low | 43.3 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -167.7 | 117.3 | 157.3 | 33.9 | 0 | 0 | 0 | 0 | 108.1 | S237 | S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact OG-O 3.5Å |
| 240 | G | 42.5 | Very low | 43.5 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -61.2 | 141.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 241 | T | 33.5 | Very low | 44.3 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 87% | 0.871 | 69% | 0.691 | S | S | * | * | trans | -163.1 | 122.3 | 136.1 | -63.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 242 | R | 44.6 | Very low | 45.6 | Very low | 229 Ų | 229 | 113.3 Ų | 113.3 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -65.7 | 147.7 | 171.5 | -90.9 | 172.6 | 167.1 | 159 | -4.4 | 110.2 | ||||
| 243 | N | 39.3 | Very low | 47.4 | Very low | 146 Ų | 146 | 109.2 Ų | 109.2 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | trans | 97.9 | 79.9 | 167.2 | -56.1 | -15.7 | 0 | 0 | 0 | 116.8 | ||||
| 244 | Q | 33.8 | Very low | 49.5 | Very low | 179 Ų | 179 | 109.7 Ų | 109.7 | 84% | 0.836 | 62% | 0.621 | S | S | * | * | -175.1 | 106.2 | 129.1 | -101 | 167.8 | 65.4 | 0 | 0 | 108.8 | V246 | Q244-V246 PolarHBondContact O-N 3.24Š| |||
| 245 | T | 35.3 | Very low | 51.9 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 91% | 0.908 | 59% | 0.591 | S | S | * | * | trans | -71.3 | 78.1 | 173.2 | 21.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 246 | V | 38.1 | Very low | 54.5 | Low | 113 Ų | 113 | 99.1 Ų | 99.1 | 69% | 0.685 | 55% | 0.553 | S | S | * | * | trans | -88.1 | 112.9 | 156.7 | -177.9 | 0 | 0 | 0 | 0 | 105.6 | Q244 K248 | Q244-V246 PolarHBondContact O-N 3.24Å; V246-K248 VanDerWaalsContact C-N 3.32Å; V246-K248 PolarHBondContact O-N 3.01Å | ||
| 247 | N | 38.4 | Very low | 56.9 | Low | 160 Ų | 160 | 96.6 Ų | 96.6 | 86% | 0.856 | 53% | 0.527 | S | S | * | . | trans | -55.3 | 93.1 | 174.4 | -94.1 | -17.1 | 0 | 0 | 0 | 109.4 | S249 | N247-S249 PolarHBondContact O-N 3.36Š| ||
| 248 | K | 45.2 | Very low | 59.7 | Low | 162 Ų | 162 | 92.1 Ų | 92.1 | 70% | 0.704 | 50% | 0.496 | S | S | * | . | trans | -61.8 | 122.5 | 166.1 | -77.6 | -175.7 | 174.5 | -176 | 0 | 107 | V246 K250 | V246-K248 VanDerWaalsContact C-N 3.32Å; V246-K248 PolarHBondContact O-N 3.01Å; K248-K250 PolarHBondContact O-N 3.49Å | ||
| 249 | S | 53.3 | Low | 62.3 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | trans | -52.5 | 125.3 | 171.7 | 156.7 | 0 | 0 | 0 | 0 | 107.9 | E94 N247 G251 | E94-S249 PolarHBondContact OE1-OG 2.84Å; N247-S249 PolarHBondContact O-N 3.36Å; S249-G251 PolarHBondContact O-N 2.84Å; S249-G251 PolarHBondContact OG-N 2.7Å | ||
| 250 | K | 60.9 | Low | 65.1 | Low | 136 Ų | 136 | 79.4 Ų | 79.4 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | trans | -77.6 | 5.4 | 179.5 | -66.3 | -176.2 | -177.7 | 173.1 | 0 | 112.2 | Q230 K248 Q253 | Q230-K250 PolarHBondContact NE2-O 3.36Å; K248-K250 PolarHBondContact O-N 3.49Å; K250-Q253 HydrophobicContact CB-CG 4.29Å | ||
| 251 | G | 74.2 | Confident | 67.4 | Low | 4 Ų | 4 | 75.7 Ų | 75.7 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | trans | 64.5 | -175.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E94 S249 Q253 | E94-G251 WeakPolarHBondContact CB-O 3.3Å; E94-G251 VanDerWaalsContact OE2-CA 3.27Å; E94-G251 WeakPolarHBondContact OE2-CA 3.5Å; S249-G251 PolarHBondContact O-N 2.84Å; S249-G251 PolarHBondContact OG-N 2.7Å; G251-Q253 WeakPolarHBondContact O-CG 3.47Å; G251-Q253 PolarHBondContact O-N 2.72Å | ||
| 252 | L | 83.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -61 | 121.6 | 177.9 | -174.3 | 70.5 | 0 | 0 | 0 | 110.8 | E94 M96 L223 L226 I292 | E94-L252 PolarHBondContact OE2-N 3Å; M96-L252 HydrophobicContact CB-CD1 4.09Å; M96-L252 HydrophobicContact CB-CD2 4.28Å; L223-L252 HydrophobicContact CD2-CD2 3.69Å; L226-L252 HydrophobicContact CB-CB 3.76Å; L226-L252 HydrophobicContact CB-CD2 4.38Å; L226-L252 HydrophobicContact CD1-CB 4.36Å; L226-L252 HydrophobicContact CD1-CD1 4.2Å; L226-L252 HydrophobicContact CD1-CD2 4.43Å; L252-I292 HydrophobicContact CD2-CD1 3.9Å; L252-I292 HydrophobicContact CG-CD1 4.3Å; L252-I292 WeakPolarHBondContact O-CG2 3.3Å | ||
| 253 | Q | 87.9 | Confident | 72.2 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | trans | -107.8 | -28.8 | -174.6 | -52.7 | -156.7 | -77.6 | 0 | 0 | 113.3 | E93 E94 K250 G251 I292 | E93-Q253 PolarHBondContact OE2-OE1 3.14Å; E93-Q253 VanDerWaalsContact OE2-OE1 3.05Å; E94-Q253 PolarHBondContact O-N 3.08Å; K250-Q253 HydrophobicContact CB-CG 4.29Å; G251-Q253 WeakPolarHBondContact O-CG 3.47Å; G251-Q253 PolarHBondContact O-N 2.72Å; Q253-I292 WeakPolarHBondContact O-CB 3.24Å; Q253-I292 WeakPolarHBondContact O-CG2 3.31Å; Q253-I292 PolarHBondContact O-N 2.97Å | ||
| 254 | W | 91.3 | Very high | 74.4 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.4 | -172.5 | -62.1 | 93.5 | 0 | 0 | 0 | 113.6 | I90 E93 E94 A95 M96 M289 Y290 P291 | I90-W254 HydrophobicContact CD1-CB 4.34Å; I90-W254 HydrophobicContact CD1-CG 4.31Å; I90-W254 HydrophobicContact CG2-CD2 4.35Å; I90-W254 HydrophobicContact CG2-CG 4.37Å; I90-W254 HydrophobicContact CG2-CZ2 4.44Å; E93-W254 VanDerWaalsContact OE2-CD1 3.24Å; E93-W254 PolarHBondContact OE2-NE1 3.15Å; E94-W254 PolarHBondContact O-N 3.01Å; A95-W254 CarbonylContact C-O 3.5Å; A95-W254 VanDerWaalsContact CA-O 3.29Å; A95-W254 WeakPolarHBondContact CA-O 3.39Å; A95-W254 HydrophobicContact CB-CB 4.13Å; M96-W254 PolarHBondContact N-O 3.18Å; W254-M289 HydrophobicContact CE3-CB 4.08Å; W254-M289 HydrophobicContact CZ3-CB 4.28Å; W254-Y290 WeakPolarHBondContact CA-O 3.22Å; W254-P291 HydrophobicContact CE3-CB 4.36Å; W254-P291 HydrophobicContact CE3-CG 4.19Å; W254-P291 HydrophobicContact CH2-CB 4.43Å; W254-P291 HydrophobicContact CH2-CG 3.93Å; W254-P291 HydrophobicContact CZ3-CB 4.07Å; W254-P291 HydrophobicContact CZ3-CG 3.51Å |
| 255 | V | 93 | Very high | 76.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.8 | 161.8 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | M96 I98 L223 Y290 I292 V295 W305 | M96-V255 HydrophobicContact CE-CB 4.46Å; M96-V255 HydrophobicContact CE-CG1 3.86Å; M96-V255 HydrophobicContact CE-CG2 3.76Å; M96-V255 CarbonylContact O-C 3.53Å; M96-V255 VanDerWaalsContact O-CA 3.3Å; M96-V255 WeakPolarHBondContact O-CA 3.43Å; I98-V255 HydrophobicContact CD1-CG1 4.19Å; I98-V255 HydrophobicContact CG1-CG1 4.22Å; L223-V255 HydrophobicContact CD2-CG2 4.09Å; V255-Y290 PolarHBondContact N-O 2.92Å; V255-Y290 PolarHBondContact O-N 3.38Å; V255-I292 HydrophobicContact CG2-CD1 4.35Å; V255-V295 HydrophobicContact CB-CG2 4.28Å; V255-V295 HydrophobicContact CG2-CG2 3.82Å; V255-W305 HydrophobicContact CB-CH2 4.47Å; V255-W305 HydrophobicContact CG1-CH2 3.98Å |
| 256 | I | 93.5 | Very high | 79.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.8 | 178.1 | -53.8 | 174.3 | 0 | 0 | 0 | 107.6 | V87 I90 A95 M96 V97 I98 W179 V258 Y287 R288 | V87-I256 HydrophobicContact CG1-CD1 4.21Å; V87-I256 HydrophobicContact CG1-CG2 3.9Å; I90-I256 HydrophobicContact CD1-CD1 3.43Å; I90-I256 VanDerWaalsContact CD1-CD1 3.43Å; I90-I256 HydrophobicContact CD1-CG1 3.73Å; I90-I256 HydrophobicContact CG1-CD1 4.46Å; A95-I256 HydrophobicContact CB-CD1 3.79Å; A95-I256 HydrophobicContact CB-CG1 4.09Å; M96-I256 PolarHBondContact O-N 2.9Å; V97-I256 CarbonylContact C-O 3.55Å; V97-I256 VanDerWaalsContact CA-O 3.32Å; V97-I256 WeakPolarHBondContact CA-O 3.37Å; V97-I256 HydrophobicContact CG1-CB 4.35Å; V97-I256 HydrophobicContact CG1-CG2 4.47Å; V97-I256 HydrophobicContact CG2-CB 4.28Å; V97-I256 HydrophobicContact CG2-CD1 4.18Å; I98-I256 PolarHBondContact N-O 3.29Å; W179-I256 HydrophobicContact CD2-CD1 4.31Å; W179-I256 HydrophobicContact CE3-CD1 3.99Å; W179-I256 HydrophobicContact CH2-CD1 3.2Å; W179-I256 HydrophobicContact CZ2-CD1 3.54Å; W179-I256 HydrophobicContact CZ3-CD1 3.43Å; W179-I256 VanDerWaalsContact CZ3-CD1 3.43Å; I256-V258 HydrophobicContact CG2-CG2 3.83Å; I256-Y287 HydrophobicContact CG2-CD1 4.14Å; I256-R288 CarbonylContact C-O 3.6Å |
| 257 | D | 94.1 | Very high | 81.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.4 | 174.1 | -170.4 | 23.7 | 0 | 0 | 0 | 111 | I98 R288 Y290 K313 | I98-D257 HydrophobicContact CD1-CB 4.13Å; I98-D257 HydrophobicContact CG1-CB 4.03Å; I98-D257 WeakPolarHBondContact CG1-OD1 3.22Å; D257-R288 HydrophobicContact CB-CB 4.25Å; D257-R288 PolarHBondContact N-O 3.03Å; D257-R288 PolarHBondContact O-N 3.42Å; D257-Y290 HydrophobicContact CB-CD2 4.3Å; D257-Y290 HydrophobicContact CB-CE2 3.87Å; D257-K313 WeakPolarHBondContact OD1-CE 3.43Å; D257-K313 IonicContact OD1-NZ 3.55Å; D257-K313 PolarHBondContact OD1-NZ 3.46Å; D257-K313 VanDerWaalsContact OD2-CE 3.27Å; D257-K313 WeakPolarHBondContact OD2-CE 3.33Å |
| 258 | V | 94.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.4 | -176.4 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | V97 I98 V99 N100 L110 I256 I260 V285 H286 Y287 K313 | V97-V258 HydrophobicContact CG1-CB 4.47Å; V97-V258 HydrophobicContact CG1-CG2 3.49Å; V97-V258 VanDerWaalsContact CG1-CG2 3.49Å; I98-V258 PolarHBondContact O-N 3.08Å; V99-V258 WeakPolarHBondContact CA-O 3.33Å; V99-V258 HydrophobicContact CB-CB 4.44Å; V99-V258 HydrophobicContact CG1-CB 4.08Å; V99-V258 HydrophobicContact CG1-CG1 4.12Å; V99-V258 HydrophobicContact CG2-CB 4.06Å; V99-V258 HydrophobicContact CG2-CG2 4.48Å; N100-V258 PolarHBondContact N-O 3.3Å; N100-V258 PolarHBondContact OD1-O 3.07Å; L110-V258 HydrophobicContact CD2-CG1 4.21Å; I256-V258 HydrophobicContact CG2-CG2 3.83Å; V258-I260 HydrophobicContact CG1-CG1 4.34Å; V258-V285 HydrophobicContact CG1-CG1 3.49Å; V258-V285 VanDerWaalsContact CG1-CG1 3.49Å; V258-H286 WeakPolarHBondContact CA-O 3.48Å; V258-Y287 HydrophobicContact CG1-CD1 4.45Å; V258-Y287 HydrophobicContact CG1-CE1 4.19Å; V258-Y287 HydrophobicContact CG2-CD1 3.79Å; V258-Y287 HydrophobicContact CG2-CE1 3.9Å; V258-K313 PolarHBondContact O-NZ 2.94Å |
| 259 | T | 94.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111.8 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 110 | N100 V285 H286 K313 L317 F326 | N100-T259 WeakPolarHBondContact OD1-CA 3.44Å; T259-V285 CarbonylContact O-C 3.58Å; T259-V285 WeakPolarHBondContact O-CA 3.19Å; T259-H286 PolarHBondContact N-O 3.46Å; T259-H286 PolarHBondContact O-N 3.26Å; T259-K313 HydrophobicContact CG2-CG 4.42Å; T259-K313 WeakPolarHBondContact OG1-CG 3.32Å; T259-L317 HydrophobicContact CG2-CD1 4.35Å; T259-L317 HydrophobicContact CG2-CD2 3.72Å; T259-L317 HydrophobicContact CG2-CG 3.86Å; T259-F326 HydrophobicContact CG2-CE1 4.49Å |
| 260 | I | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.9 | 173.7 | -56.7 | 178.3 | 0 | 0 | 0 | 108.3 | V99 N100 Q102 D106 T109 L110 V258 Y262 T283 V285 | V99-I260 HydrophobicContact CG1-CD1 3.64Å; V99-I260 HydrophobicContact CG1-CG1 3.89Å; N100-I260 PolarHBondContact ND2-O 3.44Å; N100-I260 PolarHBondContact OD1-N 3.43Å; Q102-I260 PolarHBondContact OE1-O 3.48Å; D106-I260 HydrophobicContact CB-CD1 3.83Å; T109-I260 HydrophobicContact CG2-CG2 4.48Å; L110-I260 HydrophobicContact CD1-CD1 4.5Å; L110-I260 HydrophobicContact CD2-CD1 4.28Å; L110-I260 HydrophobicContact CG-CD1 4.08Å; V258-I260 HydrophobicContact CG1-CG1 4.34Å; I260-Y262 HydrophobicContact CG2-CD2 4.35Å; I260-Y262 HydrophobicContact CG2-CE2 3.76Å; I260-T283 HydrophobicContact CG2-CG2 3.7Å; I260-V285 HydrophobicContact CG1-CG2 4.36Å |
| 261 | A | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H284 L317 F320 F326 | A261-H284 HydrophobicContact CB-CB 4.38Å; A261-H284 PolarHBondContact N-O 3.3Å; A261-H284 PolarHBondContact O-N 2.95Å; A261-L317 HydrophobicContact CB-CD2 3.5Å; A261-L317 VanDerWaalsContact CB-CD2 3.5Å; A261-F320 HydrophobicContact CB-CD1 3.57Å; A261-F320 HydrophobicContact CB-CE1 3.71Å; A261-F320 HydrophobicContact CB-CG 4.05Å; A261-F320 HydrophobicContact CB-CZ 4.32Å; A261-F326 HydrophobicContact CB-CE2 4.46Å; A261-F326 HydrophobicContact CB-CZ 3.78Å |
| 262 | Y | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -96.3 | 136.4 | 173.7 | -64 | -85.6 | 0 | 0 | 0 | 111 | Q102 G105 D106 I260 K264 A265 P267 M268 T283 Y321 | Q102-Y262 HydrophobicContact CB-CD2 4.48Å; Q102-Y262 HydrophobicContact CB-CE2 4.18Å; G105-Y262 VanDerWaalsContact C-OH 3.22Å; D106-Y262 WeakPolarHBondContact CA-OH 3.39Å; D106-Y262 PolarHBondContact N-OH 3.37Å; D106-Y262 VanDerWaalsContact N-OH 3.12Å; D106-Y262 WeakPolarHBondContact OD1-CE2 3.4Å; D106-Y262 VanDerWaalsContact OD1-CZ 3.32Å; D106-Y262 PolarHBondContact OD1-OH 3.05Å; I260-Y262 HydrophobicContact CG2-CD2 4.35Å; I260-Y262 HydrophobicContact CG2-CE2 3.76Å; Y262-K264 PolarHBondContact O-N 3.17Å; Y262-A265 PolarHBondContact O-N 3.46Å; Y262-P267 HydrophobicContact CD2-CB 3.8Å; Y262-P267 HydrophobicContact CE2-CB 3.96Å; Y262-P267 HydrophobicContact CG-CB 4.35Å; Y262-M268 HydrophobicContact CD1-CB 4.41Å; Y262-M268 HydrophobicContact CD1-CE 4.05Å; Y262-M268 HydrophobicContact CD1-CG 4.13Å; Y262-M268 HydrophobicContact CE1-CB 4.02Å; Y262-M268 HydrophobicContact CE1-CE 3.84Å; Y262-M268 HydrophobicContact CE1-CG 4.19Å; Y262-T283 HydrophobicContact CD1-CG2 3.92Å; Y262-T283 HydrophobicContact CE1-CG2 3.83Å; Y262-Y321 WeakPolarHBondContact O-CE1 3.44Å | ||
| 263 | P | 87.6 | Confident | 89.6 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 25% | 0.253 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -50.5 | 135.8 | 177.2 | -29.8 | 36.4 | 0 | 0 | 0 | 112.7 | A265 R266 T281 V282 | P263-A265 PolarHBondContact O-N 2.83Å; P263-R266 PolarHBondContact O-N 3.48Å; P263-T281 HydrophobicContact CB-CG2 4.39Å; P263-T281 HydrophobicContact CG-CG2 3.77Å; P263-V282 WeakPolarHBondContact CD-O 3.34Å; P263-V282 WeakPolarHBondContact CG-O 3.19Å |
| 264 | K | 84.3 | Confident | 89.5 | Confident | 175 Ų | 175 | 37.8 Ų | 37.8 | 76% | 0.761 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | 58.8 | 25 | -180 | -50.5 | 179.5 | 179.9 | -179.8 | 0 | 113.9 | Y262 R266 | Y262-K264 PolarHBondContact O-N 3.17Å; K264-R266 HydrophobicContact CB-CG 4.43Å; K264-R266 PolarHBondContact O-N 3.18Å; K264-R266 VanDerWaalsContact O-N 3.15Å |
| 265 | A | 83.6 | Confident | 89.2 | Confident | 45 Ų | 45 | 38 Ų | 38 | 37% | 0.372 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | 52.9 | 32.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y262 P263 P267 Y321 | Y262-A265 PolarHBondContact O-N 3.46Å; P263-A265 PolarHBondContact O-N 2.83Å; A265-P267 WeakPolarHBondContact O-CD 3.24Å; A265-Y321 HydrophobicContact CB-CD1 4.21Å; A265-Y321 HydrophobicContact CB-CD2 4.28Å; A265-Y321 HydrophobicContact CB-CE1 3.93Å; A265-Y321 HydrophobicContact CB-CE2 4Å; A265-Y321 HydrophobicContact CB-CG 4.4Å |
| 266 | R | 86.4 | Confident | 88.9 | Confident | 172 Ų | 172 | 38.4 Ų | 38.4 | 65% | 0.649 | 19% | 0.19 | S | C | * | . | trans | -105.3 | 86.7 | 179.2 | -71.8 | -175.1 | -178.6 | -172.3 | -0.7 | 110.4 | P263 K264 R278 | P263-R266 PolarHBondContact O-N 3.48Å; K264-R266 HydrophobicContact CB-CG 4.43Å; K264-R266 PolarHBondContact O-N 3.18Å; K264-R266 VanDerWaalsContact O-N 3.15Å; R266-R278 PolarHBondContact O-NH1 3.4Å | ||
| 267 | P | 87.4 | Confident | 88.4 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 149.8 | -179.8 | 26.4 | -35 | 0 | 0 | 0 | 111.9 | Q102 Y262 A265 R278 | Q102-P267 HydrophobicContact CB-CB 4.04Å; Y262-P267 HydrophobicContact CD2-CB 3.8Å; Y262-P267 HydrophobicContact CE2-CB 3.96Å; Y262-P267 HydrophobicContact CG-CB 4.35Å; A265-P267 WeakPolarHBondContact O-CD 3.24Å; P267-R278 PolarHBondContact O-NH1 2.77Å; P267-R278 PolarHBondContact O-NH2 3.2Å |
| 268 | M | 87.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -97.9 | 137.3 | 177.6 | -66.2 | -168.6 | -68.6 | 0 | 0 | 110.2 | Y78 S103 G105 Y262 T272 T281 T283 | Y78-M268 HydrophobicContact CD1-SD 4.01Å; Y78-M268 HydrophobicContact CD2-SD 4.44Å; Y78-M268 HydrophobicContact CE1-SD 4.28Å; Y78-M268 HydrophobicContact CG-CE 4.44Å; Y78-M268 HydrophobicContact CG-SD 4.11Å; S103-M268 WeakPolarHBondContact CB-O 3.15Å; S103-M268 PolarHBondContact OG-O 2.85Å; G105-M268 WeakPolarHBondContact CA-O 3.39Å; G105-M268 PolarHBondContact N-O 3.47Å; G105-M268 VanDerWaalsContact N-O 3.1Å; Y262-M268 HydrophobicContact CD1-CB 4.41Å; Y262-M268 HydrophobicContact CD1-CE 4.05Å; Y262-M268 HydrophobicContact CD1-CG 4.13Å; Y262-M268 HydrophobicContact CE1-CB 4.02Å; Y262-M268 HydrophobicContact CE1-CE 3.84Å; Y262-M268 HydrophobicContact CE1-CG 4.19Å; M268-T272 HydrophobicContact CB-CG2 4.41Å; M268-T272 HydrophobicContact CG-CG2 4.32Å; M268-T272 HydrophobicContact SD-CG2 4.28Å; M268-T281 HydrophobicContact SD-CG2 4.46Å; M268-T283 WeakPolarHBondContact CE-OG1 3.33Å |
| 269 | D | 88.5 | Confident | 87.5 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -93.8 | 160.6 | 173.5 | -67.5 | -54.3 | 0 | 0 | 0 | 110.4 | T104 Q271 T272 W273 | T104-D269 WeakPolarHBondContact OG1-CA 3.24Å; T104-D269 PolarHBondContact OG1-OD1 3.24Å; D269-Q271 PolarHBondContact O-N 2.94Å; D269-Q271 VanDerWaalsContact O-N 3.11Å; D269-T272 WeakPolarHBondContact O-CA 3.45Å; D269-T272 WeakPolarHBondContact O-CB 3.33Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-W273 PolarHBondContact O-N 3.36Å |
| 270 | I | 86.3 | Confident | 87.1 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.5 | -30.8 | 174.5 | -166.7 | 167.8 | 0 | 0 | 0 | 112.1 | T104 T272 W273 I274 | T104-I270 PolarHBondContact OG1-N 3.47Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 3.23Å; I270-W273 WeakPolarHBondContact O-CB 3.4Å; I270-W273 PolarHBondContact O-N 3.25Å; I270-I274 HydrophobicContact CG1-CD1 4.09Å; I270-I274 WeakPolarHBondContact O-CD1 3.4Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 3.29Å |
| 271 | Q | 87.2 | Confident | 86.8 | Confident | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 173.1 | -67.4 | 179.5 | -26.4 | 0 | 0 | 112.1 | D269 W273 I274 F275 | D269-Q271 PolarHBondContact O-N 2.94Å; D269-Q271 VanDerWaalsContact O-N 3.11Å; Q271-W273 VanDerWaalsContact C-N 3.28Å; Q271-W273 PolarHBondContact O-N 3.43Å; Q271-I274 PolarHBondContact O-N 3.47Å; Q271-F275 HydrophobicContact CB-CD2 4.23Å; Q271-F275 HydrophobicContact CB-CE2 4.46Å; Q271-F275 WeakPolarHBondContact O-CB 3.01Å; Q271-F275 VanDerWaalsContact O-CD2 3.26Å; Q271-F275 WeakPolarHBondContact O-CD2 3.48Å; Q271-F275 PolarHBondContact O-N 2.76Å |
| 272 | T | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.4 | -56 | 0 | 0 | 0 | 0 | 111 | Y78 M268 D269 I270 G276 Y277 R278 | Y78-T272 HydrophobicContact CE2-CG2 4.02Å; Y78-T272 VanDerWaalsContact CE2-O 3.24Å; Y78-T272 WeakPolarHBondContact CE2-O 3.43Å; Y78-T272 VanDerWaalsContact OH-CG2 3.27Å; Y78-T272 WeakPolarHBondContact OH-CG2 3.49Å; Y78-T272 PolarHBondContact OH-O 3.42Å; M268-T272 HydrophobicContact CB-CG2 4.41Å; M268-T272 HydrophobicContact CG-CG2 4.32Å; M268-T272 HydrophobicContact SD-CG2 4.28Å; D269-T272 WeakPolarHBondContact O-CA 3.45Å; D269-T272 WeakPolarHBondContact O-CB 3.33Å; D269-T272 PolarHBondContact O-N 3.44Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 3.23Å; T272-G276 VanDerWaalsContact O-CA 3.3Å; T272-G276 WeakPolarHBondContact O-CA 3.42Å; T272-G276 PolarHBondContact O-N 3.37Å; T272-Y277 HydrophobicContact CG2-CE2 4.45Å; T272-Y277 VanDerWaalsContact OG1-CZ 3.23Å; T272-Y277 PolarHBondContact OG1-OH 2.86Å; T272-R278 HydrophobicContact CG2-CB 3.75Å; T272-R278 HydrophobicContact CG2-CG 3.61Å |
| 273 | W | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.1 | -79.9 | 70.7 | 0 | 0 | 0 | 112.8 | R21 Y78 C108 M112 D269 I270 Q271 | R21-W273 PolarHBondContact NH2-O 2.69Å; Y78-W273 HydrophobicContact CD2-CG 4.47Å; C108-W273 HydrophobicContact CB-CD2 3.57Å; C108-W273 HydrophobicContact CB-CE3 3.65Å; C108-W273 HydrophobicContact CB-CG 4.21Å; C108-W273 HydrophobicContact CB-CH2 3.61Å; C108-W273 HydrophobicContact CB-CZ2 3.61Å; C108-W273 HydrophobicContact CB-CZ3 3.67Å; C108-W273 VanDerWaalsContact O-CH2 3.28Å; C108-W273 WeakPolarHBondContact O-CH2 3.27Å; M112-W273 HydrophobicContact CB-CH2 4.28Å; M112-W273 HydrophobicContact CE-CH2 3.17Å; M112-W273 HydrophobicContact CE-CZ2 3.88Å; M112-W273 HydrophobicContact CE-CZ3 3.87Å; M112-W273 HydrophobicContact SD-CH2 4.46Å; D269-W273 PolarHBondContact O-N 3.36Å; I270-W273 WeakPolarHBondContact O-CB 3.4Å; I270-W273 PolarHBondContact O-N 3.25Å; Q271-W273 VanDerWaalsContact C-N 3.28Å; Q271-W273 PolarHBondContact O-N 3.43Å |
| 274 | I | 86.5 | Confident | 87 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -59 | 179.7 | -68.6 | 162.6 | 0 | 0 | 0 | 110.5 | R21 F22 M25 W72 I270 Q271 | R21-I274 PolarHBondContact NE-O 2.95Å; R21-I274 PolarHBondContact NH2-O 3.38Å; F22-I274 HydrophobicContact CD2-CG2 3.94Å; M25-I274 HydrophobicContact CE-CB 4.23Å; M25-I274 HydrophobicContact CE-CD1 3.81Å; M25-I274 HydrophobicContact CE-CG1 3.86Å; M25-I274 HydrophobicContact CE-CG2 3.33Å; W72-I274 HydrophobicContact CE3-CG1 4.46Å; I270-I274 HydrophobicContact CG1-CD1 4.09Å; I270-I274 WeakPolarHBondContact O-CD1 3.4Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 3.29Å; Q271-I274 PolarHBondContact O-N 3.47Å |
| 275 | F | 86.1 | Confident | 87.4 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -80.7 | -26.9 | -171 | -68 | -67.2 | 0 | 0 | 0 | 113 | S18 R21 F22 Q271 Y277 | S18-F275 WeakPolarHBondContact CA-O 3.29Å; S18-F275 PolarHBondContact OG-O 3.49Å; R21-F275 WeakPolarHBondContact CD-O 3.44Å; R21-F275 PolarHBondContact NE-O 2.9Å; F22-F275 HydrophobicContact CB-CD1 4.05Å; F22-F275 HydrophobicContact CB-CE1 3.72Å; F22-F275 HydrophobicContact CD2-CD1 4.49Å; F22-F275 AromaticContact CD2-CE1 3.6Å; F22-F275 HydrophobicContact CD2-CE1 3.6Å; F22-F275 AromaticContact CD2-CZ 3.77Å; F22-F275 HydrophobicContact CD2-CZ 3.77Å; F22-F275 HydrophobicContact CE2-CE1 4.48Å; F22-F275 HydrophobicContact CE2-CZ 4.28Å; F22-F275 AromaticContact CG-CE1 3.81Å; F22-F275 HydrophobicContact CG-CE1 3.81Å; F22-F275 HydrophobicContact CG-CZ 4.4Å; Q271-F275 HydrophobicContact CB-CD2 4.23Å; Q271-F275 HydrophobicContact CB-CE2 4.46Å; Q271-F275 WeakPolarHBondContact O-CB 3.01Å; Q271-F275 VanDerWaalsContact O-CD2 3.26Å; Q271-F275 WeakPolarHBondContact O-CD2 3.48Å; Q271-F275 PolarHBondContact O-N 2.76Å; F275-Y277 VanDerWaalsContact C-N 3.32Å; F275-Y277 HydrophobicContact CB-CD1 3.75Å; F275-Y277 HydrophobicContact CB-CE1 4.39Å; F275-Y277 PolarHBondContact O-N 2.78Å |
| 276 | G | 84.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | trans | 68.6 | 28.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y78 T272 R278 | Y78-G276 VanDerWaalsContact OH-CA 3.31Å; Y78-G276 WeakPolarHBondContact OH-CA 3.2Å; T272-G276 VanDerWaalsContact O-CA 3.3Å; T272-G276 WeakPolarHBondContact O-CA 3.42Å; T272-G276 PolarHBondContact O-N 3.37Å; G276-R278 VanDerWaalsContact C-N 3.33Å | ||
| 277 | Y | 83.6 | Confident | 88.2 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | trans | -78.4 | -13.3 | -176.2 | 60.4 | -104.2 | 0 | 0 | 0 | 114.2 | T272 F275 | T272-Y277 HydrophobicContact CG2-CE2 4.45Å; T272-Y277 VanDerWaalsContact OG1-CZ 3.23Å; T272-Y277 PolarHBondContact OG1-OH 2.86Å; F275-Y277 VanDerWaalsContact C-N 3.32Å; F275-Y277 HydrophobicContact CB-CD1 3.75Å; F275-Y277 HydrophobicContact CB-CE1 4.39Å; F275-Y277 PolarHBondContact O-N 2.78Å | ||
| 278 | R | 84.9 | Confident | 88.4 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 28% | 0.275 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -89.5 | 152.7 | 175.7 | -71.8 | -161.7 | -172.1 | 171.3 | 6.4 | 110.2 | Y78 R266 P267 T272 G276 | Y78-R278 HydrophobicContact CE1-CB 4.24Å; Y78-R278 PolarHBondContact OH-N 3.17Å; Y78-R278 PolarHBondContact OH-O 2.86Å; R266-R278 PolarHBondContact O-NH1 3.4Å; P267-R278 PolarHBondContact O-NH1 2.77Å; P267-R278 PolarHBondContact O-NH2 3.2Å; T272-R278 HydrophobicContact CG2-CB 3.75Å; T272-R278 HydrophobicContact CG2-CG 3.61Å; G276-R278 VanDerWaalsContact C-N 3.33Å |
| 279 | P | 85.7 | Confident | 88.6 | Confident | 96 Ų | 96 | 44.3 Ų | 44.3 | 62% | 0.623 | 23% | 0.226 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 156.2 | 171.9 | 27.1 | -35.3 | 0 | 0 | 0 | 110.9 | T281 | P279-T281 PolarHBondContact O-N 3.22Å; P279-T281 PolarHBondContact O-OG1 3.44Å |
| 280 | P | 86.5 | Confident | 88.7 | Confident | 101 Ų | 101 | 43.7 Ų | 43.7 | 66% | 0.656 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -46.1 | 129.6 | 172.4 | -29.2 | 36.5 | 0 | 0 | 0 | 111.1 | G77 | G77-P280 CarbonylContact O-C 3.5Å; G77-P280 VanDerWaalsContact O-CA 3.26Å; G77-P280 WeakPolarHBondContact O-CA 3.44Å; G77-P280 WeakPolarHBondContact O-CB 3.36Å |
| 281 | T | 88 | Confident | 89 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.1 | -170.7 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | G77 Y78 T79 P263 M268 P279 | G77-T281 PolarHBondContact O-N 2.83Å; G77-T281 VanDerWaalsContact O-N 3.15Å; Y78-T281 WeakPolarHBondContact CA-O 3.41Å; T79-T281 PolarHBondContact N-O 2.61Å; P263-T281 HydrophobicContact CB-CG2 4.39Å; P263-T281 HydrophobicContact CG-CG2 3.77Å; M268-T281 HydrophobicContact SD-CG2 4.46Å; P279-T281 PolarHBondContact O-N 3.22Å; P279-T281 PolarHBondContact O-OG1 3.44Å |
| 282 | V | 90.3 | Very high | 89 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 117.4 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | T79 T81 P263 H284 | T79-V282 WeakPolarHBondContact O-CA 3.5Å; T81-V282 WeakPolarHBondContact OG1-CG1 3.13Å; P263-V282 WeakPolarHBondContact CD-O 3.34Å; P263-V282 WeakPolarHBondContact CG-O 3.19Å; V282-H284 PolarHBondContact O-CD2 3.2Å |
| 283 | T | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.5 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | T79 V80 T81 T109 I260 Y262 M268 | T79-T283 PolarHBondContact O-N 3.01Å; V80-T283 CarbonylContact C-O 3.25Å; V80-T283 VanDerWaalsContact CA-O 3.27Å; V80-T283 WeakPolarHBondContact CA-O 3.44Å; T81-T283 PolarHBondContact N-O 2.78Å; T109-T283 HydrophobicContact CG2-CG2 3.74Å; I260-T283 HydrophobicContact CG2-CG2 3.7Å; Y262-T283 HydrophobicContact CD1-CG2 3.92Å; Y262-T283 HydrophobicContact CE1-CG2 3.83Å; M268-T283 WeakPolarHBondContact CE-OG1 3.33Å |
| 284 | H | 92.8 | Very high | 89 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133 | 179.9 | -62.6 | -114.2 | 0 | 0 | 0 | 109.8 | T81 W83 A261 V282 F320 F326 | T81-H284 CarbonylContact O-C 3.45Å; T81-H284 VanDerWaalsContact O-CA 3.3Å; T81-H284 WeakPolarHBondContact O-CA 3.47Å; W83-H284 AromaticContact CE2-ND1 3.41Å; W83-H284 AromaticContact CZ2-CE1 3.82Å; W83-H284 AromaticContact CZ2-ND1 3.36Å; W83-H284 WeakPolarHBondContact CZ2-ND1 3.16Å; W83-H284 AromaticContact NE1-CG 3.68Å; W83-H284 AromaticContact NE1-ND1 3.02Å; W83-H284 PolarHBondContact NE1-ND1 3.44Å; A261-H284 HydrophobicContact CB-CB 4.38Å; A261-H284 PolarHBondContact N-O 3.3Å; A261-H284 PolarHBondContact O-N 2.95Å; V282-H284 PolarHBondContact O-CD2 3.2Å; H284-F320 HydrophobicContact CB-CE2 3.83Å; H284-F320 HydrophobicContact CB-CZ 3.97Å; H284-F320 AromaticContact CD2-CE2 3.68Å; H284-F320 AromaticContact CD2-CZ 3.33Å; H284-F320 WeakPolarHBondContact CD2-CZ 3.45Å; H284-F320 AromaticContact CE1-CE2 3.89Å; H284-F320 AromaticContact CG-CE2 3.43Å; H284-F320 VanDerWaalsContact CG-CE2 3.43Å; H284-F320 AromaticContact CG-CZ 3.55Å; H284-F320 AromaticContact ND1-CE2 3.57Å; H284-F320 AromaticContact NE2-CE2 3.96Å; H284-F320 AromaticContact NE2-CZ 3.78Å; H284-F326 HydrophobicContact CB-CD2 4.48Å; H284-F326 HydrophobicContact CB-CE2 3.73Å |
| 285 | V | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.3 | -180 | -179 | 0 | 0 | 0 | 0 | 108.8 | V80 T81 E82 W83 T109 V258 T259 I260 Y287 | V80-V285 HydrophobicContact CG1-CB 4.13Å; V80-V285 HydrophobicContact CG1-CG2 3.53Å; T81-V285 PolarHBondContact O-N 2.84Å; E82-V285 CarbonylContact C-O 3.52Å; E82-V285 VanDerWaalsContact CA-O 3.27Å; E82-V285 WeakPolarHBondContact CA-O 3.33Å; W83-V285 PolarHBondContact N-O 2.86Å; T109-V285 HydrophobicContact CG2-CG2 3.82Å; V258-V285 HydrophobicContact CG1-CG1 3.49Å; V258-V285 VanDerWaalsContact CG1-CG1 3.49Å; T259-V285 CarbonylContact O-C 3.58Å; T259-V285 WeakPolarHBondContact O-CA 3.19Å; I260-V285 HydrophobicContact CG1-CG2 4.36Å; V285-Y287 HydrophobicContact CB-CE2 4.37Å; V285-Y287 HydrophobicContact CG1-CD2 4.42Å; V285-Y287 HydrophobicContact CG1-CE1 3.99Å; V285-Y287 HydrophobicContact CG1-CE2 3.74Å; V285-Y287 VanDerWaalsContact CG1-CZ 3.49Å |
| 286 | H | 93.1 | Very high | 89.2 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.3 | 177.1 | -176.2 | -65.8 | 0 | 0 | 0 | 110.3 | W83 V258 T259 R288 F326 | W83-H286 HydrophobicContact CB-CB 4.31Å; W83-H286 CarbonylContact O-C 3.58Å; W83-H286 WeakPolarHBondContact O-CA 3.33Å; V258-H286 WeakPolarHBondContact CA-O 3.48Å; T259-H286 PolarHBondContact N-O 3.46Å; T259-H286 PolarHBondContact O-N 3.26Å; H286-R288 VanDerWaalsContact CE1-CG 3.45Å; H286-R288 WeakPolarHBondContact CE1-CG 3.2Å; H286-F326 HydrophobicContact CB-CD1 4.3Å; H286-F326 HydrophobicContact CB-CD2 4.1Å; H286-F326 HydrophobicContact CB-CE1 4.02Å; H286-F326 HydrophobicContact CB-CE2 3.77Å; H286-F326 HydrophobicContact CB-CG 4.33Å; H286-F326 HydrophobicContact CB-CZ 3.73Å; H286-F326 AromaticContact CD2-CG 3.89Å |
| 287 | Y | 92 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137 | 177.3 | -60.7 | -80.7 | 0 | 0 | 0 | 111.1 | E82 W83 D85 V87 C113 I256 V258 V285 | E82-Y287 HydrophobicContact CB-CE2 4Å; E82-Y287 HydrophobicContact CG-CE2 4.05Å; E82-Y287 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y287 PolarHBondContact OE1-OH 3.11Å; E82-Y287 VanDerWaalsContact OE1-OH 3.12Å; W83-Y287 PolarHBondContact O-N 2.81Å; D85-Y287 PolarHBondContact N-O 2.84Å; D85-Y287 WeakPolarHBondContact O-CB 3.2Å; V87-Y287 HydrophobicContact CG1-CD1 3.77Å; V87-Y287 HydrophobicContact CG1-CE1 4.48Å; V87-Y287 HydrophobicContact CG1-CG 4Å; V87-Y287 HydrophobicContact CG2-CD1 4.16Å; V87-Y287 HydrophobicContact CG2-CD2 4.49Å; V87-Y287 HydrophobicContact CG2-CE1 4.19Å; V87-Y287 HydrophobicContact CG2-CG 4.32Å; C113-Y287 WeakPolarHBondContact CB-OH 3.47Å; C113-Y287 PolarHBondContact SG-OH 3.47Å; I256-Y287 HydrophobicContact CG2-CD1 4.14Å; V258-Y287 HydrophobicContact CG1-CD1 4.45Å; V258-Y287 HydrophobicContact CG1-CE1 4.19Å; V258-Y287 HydrophobicContact CG2-CD1 3.79Å; V258-Y287 HydrophobicContact CG2-CE1 3.9Å; V285-Y287 HydrophobicContact CB-CE2 4.37Å; V285-Y287 HydrophobicContact CG1-CD2 4.42Å; V285-Y287 HydrophobicContact CG1-CE1 3.99Å; V285-Y287 HydrophobicContact CG1-CE2 3.74Å; V285-Y287 VanDerWaalsContact CG1-CZ 3.49Å |
| 288 | R | 91.7 | Very high | 89.3 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.7 | 164.2 | -66.3 | -178 | 173.8 | 173.8 | -4.9 | 109.2 | D85 I256 D257 H286 Y290 E312 | D85-R288 WeakPolarHBondContact OD2-CA 3.28Å; I256-R288 CarbonylContact C-O 3.6Å; D257-R288 HydrophobicContact CB-CB 4.25Å; D257-R288 PolarHBondContact N-O 3.03Å; D257-R288 PolarHBondContact O-N 3.42Å; H286-R288 VanDerWaalsContact CE1-CG 3.45Å; H286-R288 WeakPolarHBondContact CE1-CG 3.2Å; R288-Y290 HydrophobicContact CB-CE2 3.83Å; R288-E312 IonicContact NH1-OE2 3.61Å; R288-E312 PolarHBondContact NH1-OE2 3.32Å |
| 289 | M | 91.7 | Very high | 89.4 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.7 | -179 | -58.1 | -173.6 | -54.2 | 0 | 0 | 110.5 | D85 V87 I90 W254 | D85-M289 HydrophobicContact CB-CE 3.82Å; D85-M289 HydrophobicContact CB-CG 3.91Å; D85-M289 HydrophobicContact CB-SD 4.27Å; D85-M289 PolarHBondContact OD2-N 2.88Å; V87-M289 HydrophobicContact CB-SD 4.45Å; V87-M289 HydrophobicContact CG1-CG 4.12Å; V87-M289 HydrophobicContact CG1-SD 3.82Å; I90-M289 HydrophobicContact CD1-CG 4.31Å; I90-M289 HydrophobicContact CD1-SD 3.49Å; I90-M289 WeakPolarHBondContact CD1-SD 3.44Å; I90-M289 HydrophobicContact CG1-SD 3.97Å; W254-M289 HydrophobicContact CE3-CB 4.08Å; W254-M289 HydrophobicContact CZ3-CB 4.28Å |
| 290 | Y | 91.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.4 | 176.2 | -62.1 | -82.3 | 0 | 0 | 0 | 109.6 | W254 V255 D257 R288 W305 R309 | W254-Y290 WeakPolarHBondContact CA-O 3.22Å; V255-Y290 PolarHBondContact N-O 2.92Å; V255-Y290 PolarHBondContact O-N 3.38Å; D257-Y290 HydrophobicContact CB-CD2 4.3Å; D257-Y290 HydrophobicContact CB-CE2 3.87Å; R288-Y290 HydrophobicContact CB-CE2 3.83Å; Y290-W305 HydrophobicContact CD1-CZ2 4.3Å; Y290-W305 HydrophobicContact CD2-CH2 4.33Å; Y290-W305 HydrophobicContact CD2-CZ2 4.07Å; Y290-W305 AromaticContact CG-CZ2 3.92Å; Y290-W305 HydrophobicContact CG-CZ2 3.92Å; Y290-R309 WeakPolarHBondContact OH-CD 3.39Å; Y290-R309 PolarHBondContact OH-NE 3.45Å |
| 291 | P | 91 | Very high | 89.7 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 21% | 0.214 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 141 | 170.1 | -18.6 | 28.6 | 0 | 0 | 0 | 110.2 | W254 K293 E294 | W254-P291 HydrophobicContact CE3-CB 4.36Å; W254-P291 HydrophobicContact CE3-CG 4.19Å; W254-P291 HydrophobicContact CH2-CB 4.43Å; W254-P291 HydrophobicContact CH2-CG 3.93Å; W254-P291 HydrophobicContact CZ3-CB 4.07Å; W254-P291 HydrophobicContact CZ3-CG 3.51Å; P291-K293 PolarHBondContact O-N 3.11Å; P291-E294 HydrophobicContact CB-CG 4.48Å; P291-E294 HydrophobicContact CG-CG 4.44Å; P291-E294 PolarHBondContact O-N 3.5Å |
| 292 | I | 88.6 | Confident | 89.9 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -56.4 | -28 | 179.5 | -167.3 | 61.4 | 0 | 0 | 0 | 112.8 | L223 L252 Q253 V255 E294 V295 | L223-I292 HydrophobicContact CD2-CD1 3.48Å; L223-I292 VanDerWaalsContact CD2-CD1 3.48Å; L252-I292 HydrophobicContact CD2-CD1 3.9Å; L252-I292 HydrophobicContact CG-CD1 4.3Å; L252-I292 WeakPolarHBondContact O-CG2 3.3Å; Q253-I292 WeakPolarHBondContact O-CB 3.24Å; Q253-I292 WeakPolarHBondContact O-CG2 3.31Å; Q253-I292 PolarHBondContact O-N 2.97Å; V255-I292 HydrophobicContact CG2-CD1 4.35Å; I292-E294 PolarHBondContact O-N 3.25Å; I292-V295 HydrophobicContact CD1-CB 4.45Å; I292-V295 PolarHBondContact O-N 2.92Å; I292-V295 VanDerWaalsContact O-N 3.13Å |
| 293 | K | 85.9 | Confident | 89.8 | Confident | 197 Ų | 197 | 52.9 Ų | 52.9 | 86% | 0.857 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.1 | -23.6 | 178.5 | -61.4 | -178.5 | -178.4 | 178.7 | 0 | 113.3 | P291 | P291-K293 PolarHBondContact O-N 3.11Š|
| 294 | E | 87.8 | Confident | 89.8 | Confident | 125 Ų | 125 | 58.1 Ų | 58.1 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -93.1 | -7.6 | 179.3 | -62.4 | 177.3 | -166.3 | 0 | 0 | 112.3 | P291 I292 | P291-E294 HydrophobicContact CB-CG 4.48Å; P291-E294 HydrophobicContact CG-CG 4.44Å; P291-E294 PolarHBondContact O-N 3.5Å; I292-E294 PolarHBondContact O-N 3.25Å |
| 295 | V | 88.1 | Confident | 89.8 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -94 | 120.7 | -177 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | L223 V255 I292 L302 W305 | L223-V295 HydrophobicContact CD1-CG1 3.94Å; L223-V295 HydrophobicContact CD2-CG1 4.4Å; V255-V295 HydrophobicContact CB-CG2 4.28Å; V255-V295 HydrophobicContact CG2-CG2 3.82Å; I292-V295 HydrophobicContact CD1-CB 4.45Å; I292-V295 PolarHBondContact O-N 2.92Å; I292-V295 VanDerWaalsContact O-N 3.13Å; V295-L302 HydrophobicContact CG1-CD1 3.98Å; V295-W305 HydrophobicContact CG1-CE3 4.47Å; V295-W305 HydrophobicContact CG1-CZ3 4.47Å; V295-W305 HydrophobicContact CG2-CH2 4.21Å; V295-W305 HydrophobicContact CG2-CZ2 3.88Å |
| 296 | P | 88.8 | Confident | 89.7 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | trans | -67.6 | 139.7 | 179.4 | 25.8 | -32.5 | 0 | 0 | 0 | 111.4 | A301 L302 W305 | P296-A301 HydrophobicContact CB-CB 3.66Å; P296-A301 HydrophobicContact CG-CB 4.14Å; P296-A301 WeakPolarHBondContact CG-O 3.27Å; P296-L302 HydrophobicContact CG-CB 4.49Å; P296-L302 WeakPolarHBondContact O-CD1 3.41Å; P296-W305 HydrophobicContact CG-CB 3.67Å; P296-W305 HydrophobicContact CG-CG 3.99Å | ||
| 297 | M | 84.7 | Confident | 89.7 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | trans | -94.7 | -20.9 | -179.4 | -64.5 | -62.9 | -70.6 | 0 | 0 | 113 | H220 L223 | H220-M297 PolarHBondContact CE1-O 2.76Å; H220-M297 VanDerWaalsContact CE1-O 3.27Å; L223-M297 HydrophobicContact CB-CE 4.21Å; L223-M297 HydrophobicContact CB-SD 4.15Å | ||
| 298 | E | 87.6 | Confident | 89.7 | Confident | 151 Ų | 151 | 64.2 Ų | 64.2 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -71.8 | 141.7 | 177.5 | -64.3 | -175.2 | 174.4 | 0 | 0 | 111.2 | E300 A301 L302 | E298-E300 PolarHBondContact O-N 2.76Å; E298-A301 HydrophobicContact CB-CB 4.4Å; E298-L302 WeakPolarHBondContact O-CB 3.28Å; E298-L302 PolarHBondContact O-N 3.27Å |
| 299 | A | 86.8 | Confident | 89.8 | Confident | 46 Ų | 46 | 62 Ų | 62 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L216 T303 | L216-A299 HydrophobicContact CD2-CB 4.12Å; L216-A299 WeakPolarHBondContact CD2-O 3.19Å; A299-T303 WeakPolarHBondContact O-CB 3.39Å; A299-T303 PolarHBondContact O-N 3.49Å; A299-T303 VanDerWaalsContact O-N 3.08Å; A299-T303 PolarHBondContact O-OG1 2.93Å |
| 300 | E | 88.6 | Confident | 89.9 | Confident | 163 Ų | 163 | 59.9 Ų | 59.9 | 76% | 0.762 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.6 | -54.3 | 179.5 | -66.8 | -178.2 | 179 | 0 | 0 | 110.7 | E298 L302 T303 D304 | E298-E300 PolarHBondContact O-N 2.76Å; E300-L302 VanDerWaalsContact C-N 3.29Å; E300-L302 PolarHBondContact O-N 2.86Å; E300-T303 WeakPolarHBondContact O-CA 3.36Å; E300-T303 VanDerWaalsContact O-CB 3.29Å; E300-T303 WeakPolarHBondContact O-CB 3.49Å; E300-T303 PolarHBondContact O-N 2.88Å; E300-D304 PolarHBondContact O-N 3.41Å |
| 301 | A | 90.3 | Very high | 90 | Very high | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | P296 E298 T303 D304 W305 | P296-A301 HydrophobicContact CB-CB 3.66Å; P296-A301 HydrophobicContact CG-CB 4.14Å; P296-A301 WeakPolarHBondContact CG-O 3.27Å; E298-A301 HydrophobicContact CB-CB 4.4Å; A301-T303 VanDerWaalsContact C-N 3.34Å; A301-D304 PolarHBondContact O-N 3.25Å; A301-W305 VanDerWaalsContact O-CB 3.27Å; A301-W305 WeakPolarHBondContact O-CB 3.2Å; A301-W305 PolarHBondContact O-N 3.3Å |
| 302 | L | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 173.6 | -178.4 | 61.9 | 0 | 0 | 0 | 112.5 | L216 H220 L223 V295 P296 E298 E300 W305 L306 | L216-L302 HydrophobicContact CD1-CB 4.01Å; L216-L302 HydrophobicContact CD1-CD2 3.66Å; L216-L302 HydrophobicContact CD1-CG 3.57Å; H220-L302 HydrophobicContact CB-CD2 3.82Å; L223-L302 HydrophobicContact CD1-CD1 3.61Å; L223-L302 HydrophobicContact CD1-CD2 3.7Å; L223-L302 HydrophobicContact CD1-CG 4.33Å; V295-L302 HydrophobicContact CG1-CD1 3.98Å; P296-L302 HydrophobicContact CG-CB 4.49Å; P296-L302 WeakPolarHBondContact O-CD1 3.41Å; E298-L302 WeakPolarHBondContact O-CB 3.28Å; E298-L302 PolarHBondContact O-N 3.27Å; E300-L302 VanDerWaalsContact C-N 3.29Å; E300-L302 PolarHBondContact O-N 2.86Å; L302-W305 HydrophobicContact CD1-CE3 4.25Å; L302-L306 WeakPolarHBondContact O-CB 3.38Å; L302-L306 PolarHBondContact O-N 3.5Å |
| 303 | T | 89.4 | Confident | 90.2 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | L216 A299 E300 A301 L306 Y307 | L216-T303 WeakPolarHBondContact CD2-OG1 3.29Å; A299-T303 WeakPolarHBondContact O-CB 3.39Å; A299-T303 PolarHBondContact O-N 3.49Å; A299-T303 VanDerWaalsContact O-N 3.08Å; A299-T303 PolarHBondContact O-OG1 2.93Å; E300-T303 WeakPolarHBondContact O-CA 3.36Å; E300-T303 VanDerWaalsContact O-CB 3.29Å; E300-T303 WeakPolarHBondContact O-CB 3.49Å; E300-T303 PolarHBondContact O-N 2.88Å; A301-T303 VanDerWaalsContact C-N 3.34Å; T303-L306 PolarHBondContact O-N 3.42Å; T303-Y307 HydrophobicContact CG2-CD1 4.35Å; T303-Y307 HydrophobicContact CG2-CD2 4.07Å; T303-Y307 HydrophobicContact CG2-CE1 3.99Å; T303-Y307 HydrophobicContact CG2-CE2 3.66Å; T303-Y307 HydrophobicContact CG2-CG 4.41Å; T303-Y307 WeakPolarHBondContact O-CB 3.24Å; T303-Y307 WeakPolarHBondContact O-CD1 3.37Å; T303-Y307 VanDerWaalsContact O-CG 3.3Å; T303-Y307 PolarHBondContact O-N 3Å |
| 304 | D | 90.9 | Very high | 90.5 | Very high | 109 Ų | 109 | 51 Ų | 51 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | -179.9 | -67.9 | -21.3 | 0 | 0 | 0 | 111.5 | E300 A301 L306 Y307 Q308 | E300-D304 PolarHBondContact O-N 3.41Å; A301-D304 PolarHBondContact O-N 3.25Å; D304-L306 PolarHBondContact O-N 3.36Å; D304-Y307 PolarHBondContact O-N 2.88Å; D304-Q308 WeakPolarHBondContact O-CB 3.48Å; D304-Q308 PolarHBondContact O-N 3.28Å |
| 305 | W | 92.8 | Very high | 90.7 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 174.9 | -177 | 95.4 | 0 | 0 | 0 | 111.7 | I98 V255 Y290 V295 P296 A301 L302 Q308 R309 | I98-W305 HydrophobicContact CD1-CH2 4.45Å; I98-W305 HydrophobicContact CD1-CZ3 4.29Å; V255-W305 HydrophobicContact CB-CH2 4.47Å; V255-W305 HydrophobicContact CG1-CH2 3.98Å; Y290-W305 HydrophobicContact CD1-CZ2 4.3Å; Y290-W305 HydrophobicContact CD2-CH2 4.33Å; Y290-W305 HydrophobicContact CD2-CZ2 4.07Å; Y290-W305 AromaticContact CG-CZ2 3.92Å; Y290-W305 HydrophobicContact CG-CZ2 3.92Å; V295-W305 HydrophobicContact CG1-CE3 4.47Å; V295-W305 HydrophobicContact CG1-CZ3 4.47Å; V295-W305 HydrophobicContact CG2-CH2 4.21Å; V295-W305 HydrophobicContact CG2-CZ2 3.88Å; P296-W305 HydrophobicContact CG-CB 3.67Å; P296-W305 HydrophobicContact CG-CG 3.99Å; A301-W305 VanDerWaalsContact O-CB 3.27Å; A301-W305 WeakPolarHBondContact O-CB 3.2Å; A301-W305 PolarHBondContact O-N 3.3Å; L302-W305 HydrophobicContact CD1-CE3 4.25Å; W305-Q308 PolarHBondContact O-N 3.49Å; W305-R309 HydrophobicContact CD2-CG 4.34Å; W305-R309 HydrophobicContact CE3-CG 4.2Å; W305-R309 HydrophobicContact CH2-CG 3.98Å; W305-R309 HydrophobicContact CZ2-CG 4.14Å; W305-R309 HydrophobicContact CZ3-CG 4.02Å; W305-R309 WeakPolarHBondContact O-CG 3.21Å; W305-R309 PolarHBondContact O-N 3.08Å |
| 306 | L | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 179.6 | -169.2 | 64.7 | 0 | 0 | 0 | 111.5 | I98 P214 L302 T303 D304 R309 F310 | I98-L306 HydrophobicContact CD1-CD1 4Å; P214-L306 HydrophobicContact CB-CD2 3.7Å; P214-L306 HydrophobicContact CB-CG 3.86Å; P214-L306 HydrophobicContact CG-CB 4.38Å; P214-L306 HydrophobicContact CG-CD2 3.81Å; P214-L306 HydrophobicContact CG-CG 3.57Å; L302-L306 WeakPolarHBondContact O-CB 3.38Å; L302-L306 PolarHBondContact O-N 3.5Å; T303-L306 PolarHBondContact O-N 3.42Å; D304-L306 PolarHBondContact O-N 3.36Å; L306-R309 PolarHBondContact O-N 3.26Å; L306-F310 HydrophobicContact CD1-CD2 4.38Å; L306-F310 HydrophobicContact CD1-CE2 4.07Å; L306-F310 HydrophobicContact CG-CD2 4.48Å; L306-F310 HydrophobicContact CG-CE2 4.44Å; L306-F310 VanDerWaalsContact O-CD2 3.32Å; L306-F310 WeakPolarHBondContact O-CD2 3.13Å; L306-F310 PolarHBondContact O-N 2.89Å |
| 307 | Y | 92.5 | Very high | 91 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.4 | -75.5 | 0.1 | 0 | 0 | 0 | 111.4 | L205 L213 P214 T303 D304 R309 F310 V311 | L205-Y307 HydrophobicContact CD1-CD2 4.31Å; L205-Y307 HydrophobicContact CD1-CE2 3.64Å; L205-Y307 HydrophobicContact CD2-CD2 4.07Å; L205-Y307 HydrophobicContact CD2-CE2 4.07Å; L213-Y307 HydrophobicContact CD2-CD1 4.25Å; L213-Y307 HydrophobicContact CD2-CE1 4.34Å; L213-Y307 HydrophobicContact CD2-CG 4.44Å; P214-Y307 HydrophobicContact CG-CD1 3.7Å; P214-Y307 HydrophobicContact CG-CE1 3.99Å; T303-Y307 HydrophobicContact CG2-CD1 4.35Å; T303-Y307 HydrophobicContact CG2-CD2 4.07Å; T303-Y307 HydrophobicContact CG2-CE1 3.99Å; T303-Y307 HydrophobicContact CG2-CE2 3.66Å; T303-Y307 HydrophobicContact CG2-CG 4.41Å; T303-Y307 WeakPolarHBondContact O-CB 3.24Å; T303-Y307 WeakPolarHBondContact O-CD1 3.37Å; T303-Y307 VanDerWaalsContact O-CG 3.3Å; T303-Y307 PolarHBondContact O-N 3Å; D304-Y307 PolarHBondContact O-N 2.88Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 3.07Å; Y307-F310 PolarHBondContact O-N 3.46Å; Y307-F310 VanDerWaalsContact O-N 3.14Å; Y307-V311 WeakPolarHBondContact O-CG2 3.32Å; Y307-V311 PolarHBondContact O-N 2.67Å |
| 308 | Q | 92.7 | Very high | 91.2 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 176.6 | -169.2 | 179.3 | 6.4 | 0 | 0 | 111.8 | D304 W305 F310 V311 E312 | D304-Q308 WeakPolarHBondContact O-CB 3.48Å; D304-Q308 PolarHBondContact O-N 3.28Å; W305-Q308 PolarHBondContact O-N 3.49Å; Q308-F310 VanDerWaalsContact C-N 3.31Å; Q308-F310 PolarHBondContact O-N 3.44Å; Q308-V311 WeakPolarHBondContact O-CB 3.47Å; Q308-V311 PolarHBondContact O-N 3.42Å; Q308-V311 VanDerWaalsContact O-N 3.17Å; Q308-E312 WeakPolarHBondContact O-CG 3.32Å; Q308-E312 PolarHBondContact O-N 2.97Å |
| 309 | R | 93.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 175.1 | -66.2 | -58.9 | 88 | 74.4 | 0 | 112.1 | Y290 W305 L306 Y307 E312 K313 | Y290-R309 WeakPolarHBondContact OH-CD 3.39Å; Y290-R309 PolarHBondContact OH-NE 3.45Å; W305-R309 HydrophobicContact CD2-CG 4.34Å; W305-R309 HydrophobicContact CE3-CG 4.2Å; W305-R309 HydrophobicContact CH2-CG 3.98Å; W305-R309 HydrophobicContact CZ2-CG 4.14Å; W305-R309 HydrophobicContact CZ3-CG 4.02Å; W305-R309 WeakPolarHBondContact O-CG 3.21Å; W305-R309 PolarHBondContact O-N 3.08Å; L306-R309 PolarHBondContact O-N 3.26Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 3.07Å; R309-E312 IonicContact CZ-OE1 3.6Å; R309-E312 IonicContact CZ-OE2 3.88Å; R309-E312 IonicContact NE-OE1 3.23Å; R309-E312 PolarHBondContact NE-OE1 3.22Å; R309-E312 IonicContact NE-OE2 2.87Å; R309-E312 PolarHBondContact NE-OE2 2.89Å; R309-E312 IonicContact NH2-OE1 3.73Å; R309-E312 PolarHBondContact NH2-OE1 3.2Å; R309-E312 IonicContact NH2-OE2 3.75Å; R309-E312 WeakPolarHBondContact O-CB 3.42Å; R309-E312 PolarHBondContact O-N 3.11Å; R309-K313 WeakPolarHBondContact O-CG 3.11Å; R309-K313 PolarHBondContact O-N 2.89Å |
| 310 | F | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.9 | -28.8 | 178.4 | -84.4 | -104.1 | 0 | 0 | 0 | 113.4 | P184 E185 V211 T212 P214 L306 Y307 Q308 K313 E314 | P184-F310 HydrophobicContact CB-CE2 4.14Å; P184-F310 HydrophobicContact CB-CZ 3.94Å; P184-F310 HydrophobicContact CG-CE2 4.24Å; P184-F310 HydrophobicContact CG-CZ 4.09Å; E185-F310 HydrophobicContact CG-CD1 4.47Å; E185-F310 HydrophobicContact CG-CE1 3.56Å; E185-F310 HydrophobicContact CG-CZ 4.24Å; V211-F310 HydrophobicContact CB-CD1 4.11Å; V211-F310 HydrophobicContact CG2-CB 4.45Å; V211-F310 HydrophobicContact CG2-CD1 4.16Å; V211-F310 WeakPolarHBondContact CG2-O 3.28Å; T212-F310 VanDerWaalsContact O-CD1 3.26Å; T212-F310 WeakPolarHBondContact O-CD1 3Å; P214-F310 HydrophobicContact CB-CD1 4.48Å; P214-F310 HydrophobicContact CB-CD2 3.82Å; P214-F310 HydrophobicContact CB-CE1 4.32Å; P214-F310 HydrophobicContact CB-CE2 3.6Å; P214-F310 HydrophobicContact CB-CG 4.25Å; P214-F310 HydrophobicContact CB-CZ 3.88Å; P214-F310 HydrophobicContact CG-CB 4.35Å; P214-F310 HydrophobicContact CG-CD1 4.46Å; P214-F310 HydrophobicContact CG-CD2 3.53Å; P214-F310 HydrophobicContact CG-CE2 3.87Å; P214-F310 HydrophobicContact CG-CG 3.84Å; P214-F310 HydrophobicContact CG-CZ 4.48Å; L306-F310 HydrophobicContact CD1-CD2 4.38Å; L306-F310 HydrophobicContact CD1-CE2 4.07Å; L306-F310 HydrophobicContact CG-CD2 4.48Å; L306-F310 HydrophobicContact CG-CE2 4.44Å; L306-F310 VanDerWaalsContact O-CD2 3.32Å; L306-F310 WeakPolarHBondContact O-CD2 3.13Å; L306-F310 PolarHBondContact O-N 2.89Å; Y307-F310 PolarHBondContact O-N 3.46Å; Y307-F310 VanDerWaalsContact O-N 3.14Å; Q308-F310 VanDerWaalsContact C-N 3.31Å; Q308-F310 PolarHBondContact O-N 3.44Å; F310-K313 PolarHBondContact O-N 3.24Å; F310-E314 PolarHBondContact O-N 3.21Å |
| 311 | V | 92.9 | Very high | 91.5 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 24% | 0.236 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 169.1 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | P206 L208 Y307 Q308 K313 E314 E315 | P206-V311 HydrophobicContact CB-CG2 4.37Å; P206-V311 HydrophobicContact CG-CG2 3.6Å; L208-V311 HydrophobicContact CD2-CG2 4.23Å; Y307-V311 WeakPolarHBondContact O-CG2 3.32Å; Y307-V311 PolarHBondContact O-N 2.67Å; Q308-V311 WeakPolarHBondContact O-CB 3.47Å; Q308-V311 PolarHBondContact O-N 3.42Å; Q308-V311 VanDerWaalsContact O-N 3.17Å; V311-K313 VanDerWaalsContact C-N 3.29Å; V311-K313 PolarHBondContact O-N 2.87Å; V311-E314 VanDerWaalsContact O-CB 3.29Å; V311-E314 WeakPolarHBondContact O-CB 3.31Å; V311-E314 PolarHBondContact O-N 3.08Å; V311-E315 PolarHBondContact O-N 3.01Å; V311-E315 VanDerWaalsContact O-N 3.11Å |
| 312 | E | 91.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 175.2 | -69.9 | 167.2 | -164.7 | 0 | 0 | 111.9 | R288 Q308 R309 E314 E315 L316 | R288-E312 IonicContact NH1-OE2 3.61Å; R288-E312 PolarHBondContact NH1-OE2 3.32Å; Q308-E312 WeakPolarHBondContact O-CG 3.32Å; Q308-E312 PolarHBondContact O-N 2.97Å; R309-E312 IonicContact CZ-OE1 3.6Å; R309-E312 IonicContact CZ-OE2 3.88Å; R309-E312 IonicContact NE-OE1 3.23Å; R309-E312 PolarHBondContact NE-OE1 3.22Å; R309-E312 IonicContact NE-OE2 2.87Å; R309-E312 PolarHBondContact NE-OE2 2.89Å; R309-E312 IonicContact NH2-OE1 3.73Å; R309-E312 PolarHBondContact NH2-OE1 3.2Å; R309-E312 IonicContact NH2-OE2 3.75Å; R309-E312 WeakPolarHBondContact O-CB 3.42Å; R309-E312 PolarHBondContact O-N 3.11Å; E312-E314 VanDerWaalsContact C-N 3.32Å; E312-E314 PolarHBondContact O-N 3.49Å; E312-E315 PolarHBondContact O-N 3.43Å; E312-L316 WeakPolarHBondContact O-CB 3.34Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.26Å; E312-L316 PolarHBondContact O-N 3.47Å |
| 313 | K | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 172.7 | -69.6 | -170.2 | -173.6 | -165.5 | 0 | 112.7 | N100 V211 D257 V258 T259 R309 F310 V311 E315 L316 L317 | N100-K313 HydrophobicContact CB-CD 4.22Å; V211-K313 HydrophobicContact CG1-CB 4.11Å; D257-K313 WeakPolarHBondContact OD1-CE 3.43Å; D257-K313 IonicContact OD1-NZ 3.55Å; D257-K313 PolarHBondContact OD1-NZ 3.46Å; D257-K313 VanDerWaalsContact OD2-CE 3.27Å; D257-K313 WeakPolarHBondContact OD2-CE 3.33Å; V258-K313 PolarHBondContact O-NZ 2.94Å; T259-K313 HydrophobicContact CG2-CG 4.42Å; T259-K313 WeakPolarHBondContact OG1-CG 3.32Å; R309-K313 WeakPolarHBondContact O-CG 3.11Å; R309-K313 PolarHBondContact O-N 2.89Å; F310-K313 PolarHBondContact O-N 3.24Å; V311-K313 VanDerWaalsContact C-N 3.29Å; V311-K313 PolarHBondContact O-N 2.87Å; K313-E315 VanDerWaalsContact C-N 3.31Å; K313-L316 PolarHBondContact O-N 3.31Å; K313-L317 VanDerWaalsContact O-CB 3.3Å; K313-L317 WeakPolarHBondContact O-CB 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.44Å; K313-L317 PolarHBondContact O-N 2.88Å |
| 314 | E | 92.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 176.3 | -177.9 | 67.7 | -160.1 | 0 | 0 | 110.4 | L208 T209 H210 V211 F310 V311 E312 L317 A318 | L208-E314 HydrophobicContact CD2-CB 3.93Å; L208-E314 HydrophobicContact CD2-CG 4Å; T209-E314 WeakPolarHBondContact CB-OE1 3.48Å; T209-E314 VanDerWaalsContact N-CD 3.29Å; T209-E314 PolarHBondContact N-OE1 3.47Å; T209-E314 PolarHBondContact N-OE2 2.95Å; T209-E314 VanDerWaalsContact N-OE2 3.13Å; H210-E314 WeakPolarHBondContact CA-OE2 3.44Å; H210-E314 WeakPolarHBondContact CB-OE2 3.44Å; H210-E314 IonicContact CE1-OE1 2.92Å; H210-E314 IonicContact CG-OE1 3.1Å; H210-E314 PolarHBondContact N-OE1 3.22Å; H210-E314 VanDerWaalsContact N-OE1 3.14Å; H210-E314 PolarHBondContact N-OE2 3.23Å; H210-E314 IonicContact ND1-OE1 2.73Å; H210-E314 PolarHBondContact ND1-OE1 2.6Å; H210-E314 IonicContact ND1-OE2 3.89Å; V211-E314 HydrophobicContact CG2-CB 4.23Å; V211-E314 PolarHBondContact N-OE2 3.28Å; V211-E314 VanDerWaalsContact N-OE2 3.13Å; F310-E314 PolarHBondContact O-N 3.21Å; V311-E314 VanDerWaalsContact O-CB 3.29Å; V311-E314 WeakPolarHBondContact O-CB 3.31Å; V311-E314 PolarHBondContact O-N 3.08Å; E312-E314 VanDerWaalsContact C-N 3.32Å; E312-E314 PolarHBondContact O-N 3.49Å; E314-L317 PolarHBondContact O-N 3.39Å; E314-A318 WeakPolarHBondContact O-CB 3.42Å; E314-A318 PolarHBondContact O-N 2.91Å |
| 315 | E | 91.9 | Very high | 90.3 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 62% | 0.617 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65 | -44.1 | 177.3 | -66.7 | 177.5 | 176.9 | 0 | 0 | 112.1 | V311 E312 K313 L317 A318 H319 | V311-E315 PolarHBondContact O-N 3.01Å; V311-E315 VanDerWaalsContact O-N 3.11Å; E312-E315 PolarHBondContact O-N 3.43Å; K313-E315 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 3.45Å; E315-A318 PolarHBondContact O-N 3.19Å; E315-H319 WeakPolarHBondContact O-CB 3.15Å; E315-H319 PolarHBondContact O-N 2.89Å |
| 316 | L | 90.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.8 | -76.6 | 173 | 0 | 0 | 0 | 112 | E312 K313 F320 F326 P327 | E312-L316 WeakPolarHBondContact O-CB 3.34Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.26Å; E312-L316 PolarHBondContact O-N 3.47Å; K313-L316 PolarHBondContact O-N 3.31Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 3.4Å; L316-F326 HydrophobicContact CB-CD1 4.28Å; L316-F326 HydrophobicContact CB-CE1 4.19Å; L316-F326 HydrophobicContact CD2-CD1 4.17Å; L316-P327 HydrophobicContact CD2-CG 3.52Å |
| 317 | L | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 178.9 | -71.6 | 176.8 | 0 | 0 | 0 | 111.4 | H210 V211 T259 A261 K313 E314 E315 H319 F320 Y321 | H210-L317 HydrophobicContact CB-CB 3.97Å; H210-L317 HydrophobicContact CB-CD1 3.84Å; V211-L317 HydrophobicContact CG1-CD1 3.65Å; T259-L317 HydrophobicContact CG2-CD1 4.35Å; T259-L317 HydrophobicContact CG2-CD2 3.72Å; T259-L317 HydrophobicContact CG2-CG 3.86Å; A261-L317 HydrophobicContact CB-CD2 3.5Å; A261-L317 VanDerWaalsContact CB-CD2 3.5Å; K313-L317 VanDerWaalsContact O-CB 3.3Å; K313-L317 WeakPolarHBondContact O-CB 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.44Å; K313-L317 PolarHBondContact O-N 2.88Å; E314-L317 PolarHBondContact O-N 3.39Å; E315-L317 PolarHBondContact O-N 3.45Å; L317-H319 VanDerWaalsContact C-N 3.35Å; L317-F320 PolarHBondContact O-N 3.44Å; L317-Y321 HydrophobicContact CB-CD2 4.37Å; L317-Y321 HydrophobicContact CB-CE2 3.84Å; L317-Y321 HydrophobicContact CD2-CE2 4.43Å; L317-Y321 WeakPolarHBondContact O-CB 3.36Å; L317-Y321 WeakPolarHBondContact O-CD2 3.14Å; L317-Y321 VanDerWaalsContact O-CG 3.23Å; L317-Y321 PolarHBondContact O-N 2.82Å |
| 318 | A | 90.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E314 E315 Y321 N322 | E314-A318 WeakPolarHBondContact O-CB 3.42Å; E314-A318 PolarHBondContact O-N 2.91Å; E315-A318 PolarHBondContact O-N 3.19Å; A318-Y321 PolarHBondContact O-N 2.92Å; A318-N322 WeakPolarHBondContact O-CB 3.26Å; A318-N322 VanDerWaalsContact O-CG 3.25Å; A318-N322 PolarHBondContact O-N 3.16Å; A318-N322 PolarHBondContact O-ND2 3.37Å; A318-N322 VanDerWaalsContact O-ND2 3.09Å |
| 319 | H | 89.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -50.5 | 174 | -173.9 | 84.8 | 0 | 0 | 0 | 110.8 | E315 L317 Y321 N322 T323 S325 | E315-H319 WeakPolarHBondContact O-CB 3.15Å; E315-H319 PolarHBondContact O-N 2.89Å; L317-H319 VanDerWaalsContact C-N 3.35Å; H319-Y321 VanDerWaalsContact C-N 3.34Å; H319-Y321 PolarHBondContact O-N 2.8Å; H319-N322 PolarHBondContact O-N 2.91Å; H319-T323 PolarHBondContact CD2-OG1 3.49Å; H319-T323 VanDerWaalsContact CD2-OG1 3.29Å; H319-T323 PolarHBondContact NE2-OG1 3.34Å; H319-T323 PolarHBondContact O-N 3.38Å; H319-T323 PolarHBondContact O-OG1 3Å; H319-S325 PolarHBondContact CD2-O 3.21Å; H319-S325 VanDerWaalsContact CD2-O 3.24Å |
| 320 | F | 89.6 | Confident | 85.6 | Confident | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 179.2 | 176.8 | -94 | 0 | 0 | 0 | 113.1 | A261 H284 L316 L317 N322 G324 S325 F326 | A261-F320 HydrophobicContact CB-CD1 3.57Å; A261-F320 HydrophobicContact CB-CE1 3.71Å; A261-F320 HydrophobicContact CB-CG 4.05Å; A261-F320 HydrophobicContact CB-CZ 4.32Å; H284-F320 HydrophobicContact CB-CE2 3.83Å; H284-F320 HydrophobicContact CB-CZ 3.97Å; H284-F320 AromaticContact CD2-CE2 3.68Å; H284-F320 AromaticContact CD2-CZ 3.33Å; H284-F320 WeakPolarHBondContact CD2-CZ 3.45Å; H284-F320 AromaticContact CE1-CE2 3.89Å; H284-F320 AromaticContact CG-CE2 3.43Å; H284-F320 VanDerWaalsContact CG-CE2 3.43Å; H284-F320 AromaticContact CG-CZ 3.55Å; H284-F320 AromaticContact ND1-CE2 3.57Å; H284-F320 AromaticContact NE2-CE2 3.96Å; H284-F320 AromaticContact NE2-CZ 3.78Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 3.4Å; L317-F320 PolarHBondContact O-N 3.44Å; F320-N322 VanDerWaalsContact C-N 3.27Å; F320-N322 PolarHBondContact O-N 3.29Å; F320-G324 WeakPolarHBondContact CE2-O 3.25Å; F320-G324 WeakPolarHBondContact O-CA 3.47Å; F320-G324 PolarHBondContact O-N 2.68Å; F320-S325 WeakPolarHBondContact CA-O 3.5Å; F320-F326 HydrophobicContact CB-CD1 4.3Å; F320-F326 HydrophobicContact CB-CE1 4.2Å; F320-F326 HydrophobicContact CD2-CD2 4.26Å; F320-F326 HydrophobicContact CD2-CE2 4.28Å; F320-F326 HydrophobicContact CD2-CG 4.49Å; F320-F326 HydrophobicContact CD2-CZ 4.48Å |
| 321 | Y | 89.9 | Confident | 83.8 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.4 | -22.6 | 178.5 | -62.8 | -39.2 | 0 | 0 | 0 | 113.5 | Q102 H210 Y262 A265 L317 A318 H319 | Q102-Y321 PolarHBondContact NE2-OH 3.48Å; H210-Y321 HydrophobicContact CB-CE2 4.19Å; H210-Y321 AromaticContact CD2-CD2 3.41Å; H210-Y321 VanDerWaalsContact CD2-CD2 3.41Å; H210-Y321 WeakPolarHBondContact CD2-CD2 3.43Å; H210-Y321 AromaticContact CD2-CE2 3.25Å; H210-Y321 WeakPolarHBondContact CD2-CE2 3.32Å; H210-Y321 AromaticContact CG-CE2 3.81Å; H210-Y321 AromaticContact NE2-CD2 3.56Å; H210-Y321 AromaticContact NE2-CE2 3.93Å; Y262-Y321 WeakPolarHBondContact O-CE1 3.44Å; A265-Y321 HydrophobicContact CB-CD1 4.21Å; A265-Y321 HydrophobicContact CB-CD2 4.28Å; A265-Y321 HydrophobicContact CB-CE1 3.93Å; A265-Y321 HydrophobicContact CB-CE2 4Å; A265-Y321 HydrophobicContact CB-CG 4.4Å; L317-Y321 HydrophobicContact CB-CD2 4.37Å; L317-Y321 HydrophobicContact CB-CE2 3.84Å; L317-Y321 HydrophobicContact CD2-CE2 4.43Å; L317-Y321 WeakPolarHBondContact O-CB 3.36Å; L317-Y321 WeakPolarHBondContact O-CD2 3.14Å; L317-Y321 VanDerWaalsContact O-CG 3.23Å; L317-Y321 PolarHBondContact O-N 2.82Å; A318-Y321 PolarHBondContact O-N 2.92Å; H319-Y321 VanDerWaalsContact C-N 3.34Å; H319-Y321 PolarHBondContact O-N 2.8Å |
| 322 | N | 87.8 | Confident | 82.1 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 75% | 0.754 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -87.9 | -40.6 | 176.5 | -70.9 | -28 | 0 | 0 | 0 | 112.9 | A318 H319 F320 | A318-N322 WeakPolarHBondContact O-CB 3.26Å; A318-N322 VanDerWaalsContact O-CG 3.25Å; A318-N322 PolarHBondContact O-N 3.16Å; A318-N322 PolarHBondContact O-ND2 3.37Å; A318-N322 VanDerWaalsContact O-ND2 3.09Å; H319-N322 PolarHBondContact O-N 2.91Å; F320-N322 VanDerWaalsContact C-N 3.27Å; F320-N322 PolarHBondContact O-N 3.29Å |
| 323 | T | 84.6 | Confident | 80.6 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -104.2 | -20.7 | -172.7 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | H319 S325 | H319-T323 PolarHBondContact CD2-OG1 3.49Å; H319-T323 VanDerWaalsContact CD2-OG1 3.29Å; H319-T323 PolarHBondContact NE2-OG1 3.34Å; H319-T323 PolarHBondContact O-N 3.38Å; H319-T323 PolarHBondContact O-OG1 3Å; T323-S325 VanDerWaalsContact C-N 3.3Å; T323-S325 PolarHBondContact OG1-N 3.35Å; T323-S325 PolarHBondContact OG1-O 2.82Å |
| 324 | G | 81.8 | Confident | 79 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 80.4 | 5.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F320 | F320-G324 WeakPolarHBondContact CE2-O 3.25Å; F320-G324 WeakPolarHBondContact O-CA 3.47Å; F320-G324 PolarHBondContact O-N 2.68Å |
| 325 | S | 82.4 | Confident | 77.8 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 33% | 0.329 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -140.9 | 157.4 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | H319 F320 T323 | H319-S325 PolarHBondContact CD2-O 3.21Å; H319-S325 VanDerWaalsContact CD2-O 3.24Å; F320-S325 WeakPolarHBondContact CA-O 3.5Å; T323-S325 VanDerWaalsContact C-N 3.3Å; T323-S325 PolarHBondContact OG1-N 3.35Å; T323-S325 PolarHBondContact OG1-O 2.82Å |
| 326 | F | 83.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 150.5 | 170.6 | -76.6 | -70.8 | 0 | 0 | 0 | 110.3 | W83 T259 A261 H284 H286 L316 F320 A335 | W83-F326 HydrophobicContact CB-CD2 3.86Å; W83-F326 HydrophobicContact CB-CE2 4.49Å; W83-F326 AromaticContact CD1-CD2 3.56Å; W83-F326 AromaticContact CD1-CE2 3.78Å; W83-F326 HydrophobicContact CD2-CB 4.41Å; W83-F326 AromaticContact CD2-CD2 3.82Å; W83-F326 HydrophobicContact CD2-CD2 3.82Å; W83-F326 HydrophobicContact CE3-CB 4.31Å; W83-F326 AromaticContact CG-CD2 3.47Å; W83-F326 HydrophobicContact CG-CD2 3.47Å; W83-F326 VanDerWaalsContact CG-CD2 3.47Å; W83-F326 HydrophobicContact CG-CE2 4.11Å; W83-F326 HydrophobicContact CG-CG 4.42Å; W83-F326 AromaticContact NE1-CD2 3.98Å; T259-F326 HydrophobicContact CG2-CE1 4.49Å; A261-F326 HydrophobicContact CB-CE2 4.46Å; A261-F326 HydrophobicContact CB-CZ 3.78Å; H284-F326 HydrophobicContact CB-CD2 4.48Å; H284-F326 HydrophobicContact CB-CE2 3.73Å; H286-F326 HydrophobicContact CB-CD1 4.3Å; H286-F326 HydrophobicContact CB-CD2 4.1Å; H286-F326 HydrophobicContact CB-CE1 4.02Å; H286-F326 HydrophobicContact CB-CE2 3.77Å; H286-F326 HydrophobicContact CB-CG 4.33Å; H286-F326 HydrophobicContact CB-CZ 3.73Å; H286-F326 AromaticContact CD2-CG 3.89Å; L316-F326 HydrophobicContact CB-CD1 4.28Å; L316-F326 HydrophobicContact CB-CE1 4.19Å; L316-F326 HydrophobicContact CD2-CD1 4.17Å; F320-F326 HydrophobicContact CB-CD1 4.3Å; F320-F326 HydrophobicContact CB-CE1 4.2Å; F320-F326 HydrophobicContact CD2-CD2 4.26Å; F320-F326 HydrophobicContact CD2-CE2 4.28Å; F320-F326 HydrophobicContact CD2-CG 4.49Å; F320-F326 HydrophobicContact CD2-CZ 4.48Å; F326-A335 WeakPolarHBondContact O-CB 3.42Å |
| 327 | P | 78.8 | Confident | 76.5 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 29% | 0.286 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 139.9 | -179.6 | 26.6 | -33.5 | 0 | 0 | 0 | 110.4 | L316 | L316-P327 HydrophobicContact CD2-CG 3.52Š|
| 328 | P | 73.8 | Confident | 76.1 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 36% | 0.357 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 151 | 176.7 | 27.8 | -33.3 | 0 | 0 | 0 | 111.1 | Q332 A335 | P328-Q332 HydrophobicContact CB-CB 4.31Å; P328-Q332 VanDerWaalsContact CB-O 3.31Å; P328-Q332 WeakPolarHBondContact CB-O 3.39Å; P328-Q332 WeakPolarHBondContact CG-O 3.37Å; P328-A335 HydrophobicContact CB-CB 4.46Å |
| 329 | P | 70.1 | Confident | 75.8 | Confident | 69 Ų | 69 | 83 Ų | 83 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -57 | 150.7 | 167.8 | -20.1 | 30.8 | 0 | 0 | 0 | 111.4 | G331 Q332 | P329-G331 PolarHBondContact O-N 3.01Å; P329-Q332 PolarHBondContact O-N 3.28Å |
| 330 | D | 58.7 | Low | 75.4 | Confident | 176 Ų | 176 | 79.9 Ų | 79.9 | 94% | 0.941 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 117.2 | 179.5 | -73.9 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 331 | G | 55 | Low | 74.8 | Confident | 87 Ų | 87 | 83.9 Ų | 83.9 | 90% | 0.897 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -3.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P329 | P329-G331 PolarHBondContact O-N 3.01Š|
| 332 | Q | 58.3 | Low | 74.5 | Confident | 106 Ų | 106 | 82 Ų | 82 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | trans | -101.6 | 145.2 | 173.5 | -66.3 | -174.5 | 1.5 | 0 | 0 | 112.3 | P328 P329 | P328-Q332 HydrophobicContact CB-CB 4.31Å; P328-Q332 VanDerWaalsContact CB-O 3.31Å; P328-Q332 WeakPolarHBondContact CB-O 3.39Å; P328-Q332 WeakPolarHBondContact CG-O 3.37Å; P329-Q332 PolarHBondContact O-N 3.28Å | ||
| 333 | K | 58.6 | Low | 74.3 | Confident | 211 Ų | 211 | 79.5 Ų | 79.5 | 92% | 0.917 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -78.8 | -27.4 | 177.8 | -70.9 | -174 | 178.5 | -179.7 | 0 | 113.2 | ||
| 334 | E | 60.5 | Low | 74.4 | Confident | 161 Ų | 161 | 79.9 Ų | 79.9 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -140.5 | 141.9 | -179.1 | -68.1 | -175.7 | 175.4 | 0 | 0 | 109.8 | A336 | E334-A336 PolarHBondContact O-N 3.39Š|
| 335 | A | 67.8 | Low | 74.7 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | trans | -73.2 | 127.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | W83 F326 P328 S337 | W83-A335 HydrophobicContact CE3-CB 3.69Å; W83-A335 HydrophobicContact CZ3-CB 3.76Å; W83-A335 WeakPolarHBondContact CZ3-O 3.24Å; F326-A335 WeakPolarHBondContact O-CB 3.42Å; P328-A335 HydrophobicContact CB-CB 4.46Å; A335-S337 PolarHBondContact O-N 3.29Å | ||
| 336 | A | 73.6 | Confident | 75.1 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | trans | -60.6 | 126 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E334 | E334-A336 PolarHBondContact O-N 3.39Š| ||
| 337 | S | 80.9 | Confident | 75.3 | Confident | 66 Ų | 66 | 84.4 Ų | 84.4 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.3 | 177.8 | 76.6 | 0 | 0 | 0 | 0 | 110.2 | E82 W83 A335 | E82-S337 CarbonylContact O-C 3.59Å; E82-S337 WeakPolarHBondContact O-CA 3.47Å; W83-S337 VanDerWaalsContact CH2-CB 3.45Å; W83-S337 VanDerWaalsContact CZ3-CB 3.46Å; A335-S337 PolarHBondContact O-N 3.29Å |
| 338 | R | 82.9 | Confident | 75.8 | Confident | 86 Ų | 86 | 86.1 Ų | 86.1 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.8 | 177.2 | -176.5 | 175.7 | 177.1 | -131.2 | -11 | 109.1 | T81 E82 D116 M340 | T81-R338 CarbonylContact C-O 3.59Å; T81-R338 WeakPolarHBondContact CA-O 3.48Å; E82-R338 HydrophobicContact CB-CB 4.45Å; E82-R338 PolarHBondContact N-O 2.93Å; E82-R338 PolarHBondContact O-N 3.42Å; E82-R338 IonicContact OE2-NH1 2.9Å; D116-R338 IonicContact OD2-CZ 3.69Å; D116-R338 IonicContact OD2-NH1 3.44Å; D116-R338 PolarHBondContact OD2-NH1 3.18Å; D116-R338 IonicContact OD2-NH2 3.71Å; D116-R338 PolarHBondContact OD2-NH2 3.22Å; R338-M340 PolarHBondContact O-N 3.23Å |
| 339 | Q | 84.1 | Confident | 76.6 | Confident | 149 Ų | 149 | 89 Ų | 89 | 70% | 0.696 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.3 | 167.8 | -66.3 | -175.1 | 10.9 | 0 | 0 | 108.4 | ||
| 340 | M | 80.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 85.8 Ų | 85.8 | 1% | 0.01 | 48% | 0.477 | C | S | . | . | trans | -75.5 | 133.8 | 172.2 | 175.8 | -159.6 | 62.9 | 0 | 0 | 108.9 | W74 V80 M112 C113 R338 | W74-M340 WeakPolarHBondContact CH2-O 3.47Å; W74-M340 HydrophobicContact CZ3-CE 4.43Å; W74-M340 WeakPolarHBondContact CZ3-O 3.35Å; V80-M340 HydrophobicContact CB-CB 4.5Å; V80-M340 HydrophobicContact CB-CE 3.86Å; V80-M340 HydrophobicContact CG2-CE 3.9Å; V80-M340 PolarHBondContact O-N 3.3Å; M112-M340 HydrophobicContact CB-CE 3.71Å; M112-M340 HydrophobicContact CB-SD 4.38Å; M112-M340 HydrophobicContact CE-CE 4.3Å; M112-M340 HydrophobicContact CG-CE 3.29Å; M112-M340 HydrophobicContact CG-SD 4.32Å; M112-M340 HydrophobicContact SD-CE 3.13Å; M112-M340 WeakPolarHBondContact SD-CE 3.3Å; C113-M340 WeakPolarHBondContact CA-SD 3.5Å; C113-M340 HydrophobicContact CB-SD 4.27Å; R338-M340 PolarHBondContact O-N 3.23Å | ||
| 341 | T | 77.6 | Confident | 78.9 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | trans | -118.1 | 131.1 | 174.8 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | W74 | W74-T341 HydrophobicContact CH2-CG2 4.49Š| ||
| 342 | L | 82 | Confident | 80.6 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | trans | -91.2 | 135 | 166.4 | -63.6 | 175.6 | 0 | 0 | 0 | 109.4 | W74 M112 Q115 P344 L347 | W74-L342 HydrophobicContact CB-CD1 3.92Å; W74-L342 HydrophobicContact CD2-CB 4.27Å; W74-L342 HydrophobicContact CD2-CD1 4.18Å; W74-L342 HydrophobicContact CD2-CG 4.34Å; W74-L342 HydrophobicContact CE3-CD1 4.21Å; W74-L342 HydrophobicContact CE3-CG 4.22Å; W74-L342 HydrophobicContact CG-CD1 4.06Å; M112-L342 HydrophobicContact CG-CD1 3.97Å; M112-L342 HydrophobicContact SD-CD1 4.44Å; Q115-L342 HydrophobicContact CB-CD2 3.86Å; Q115-L342 HydrophobicContact CG-CD2 3.87Å; L342-P344 VanDerWaalsContact O-CD 3.26Å; L342-P344 WeakPolarHBondContact O-CD 3.25Å; L342-L347 HydrophobicContact CB-CD1 3.74Å; L342-L347 HydrophobicContact CB-CG 4.46Å; L342-L347 HydrophobicContact CD1-CD1 4.03Å | ||
| 343 | D | 85.3 | Confident | 82.1 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | trans | -69.7 | 113.1 | 175.4 | 177.4 | -0.9 | 0 | 0 | 0 | 109.9 | V345 W346 L347 | D343-V345 VanDerWaalsContact C-N 3.31Å; D343-V345 PolarHBondContact O-N 3.23Å; D343-V345 WeakPolarHBondContact OD1-CB 3.38Å; D343-V345 PolarHBondContact OD1-N 3.05Å; D343-W346 HydrophobicContact CB-CB 3.92Å; D343-W346 PolarHBondContact O-N 3.45Å; D343-W346 PolarHBondContact OD1-N 2.96Å; D343-L347 WeakPolarHBondContact O-CG 3.21Å; D343-L347 PolarHBondContact O-N 2.69Å | ||
| 344 | P | 85.9 | Confident | 83.6 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -32.8 | -177.8 | 28.4 | -34.6 | 0 | 0 | 0 | 112.4 | L342 W346 L347 C348 | L342-P344 VanDerWaalsContact O-CD 3.26Å; L342-P344 WeakPolarHBondContact O-CD 3.25Å; P344-W346 VanDerWaalsContact C-N 3.35Å; P344-L347 PolarHBondContact O-N 3.41Å; P344-C348 WeakPolarHBondContact O-CB 3.19Å; P344-C348 PolarHBondContact O-N 3.34Å; P344-C348 PolarHBondContact O-SG 3.46Å; P344-C348 VanDerWaalsContact O-SG 3.32Å |
| 345 | V | 88.3 | Confident | 85 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 62% | 0.624 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.4 | -45.2 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | D343 C348 M349 | D343-V345 VanDerWaalsContact C-N 3.31Å; D343-V345 PolarHBondContact O-N 3.23Å; D343-V345 WeakPolarHBondContact OD1-CB 3.38Å; D343-V345 PolarHBondContact OD1-N 3.05Å; V345-C348 PolarHBondContact O-N 3.38Å; V345-M349 PolarHBondContact O-N 2.89Å |
| 346 | W | 89.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.9 | 176.3 | -148.8 | 0 | 0 | 0 | 111.8 | W64 D343 P344 C348 M349 V350 | W64-W346 AromaticContact CD1-CH2 3.67Å; W64-W346 AromaticContact CD1-CZ2 3.34Å; W64-W346 HydrophobicContact CD2-CH2 4.14Å; W64-W346 AromaticContact CE2-CH2 3.52Å; W64-W346 AromaticContact CE2-CZ2 3.95Å; W64-W346 HydrophobicContact CG-CH2 4.2Å; W64-W346 HydrophobicContact CG-CZ2 4.21Å; W64-W346 AromaticContact CZ2-CH2 3.98Å; W64-W346 HydrophobicContact CZ2-CH2 3.98Å; W64-W346 AromaticContact NE1-CH2 3.24Å; W64-W346 AromaticContact NE1-CZ2 3.15Å; D343-W346 HydrophobicContact CB-CB 3.92Å; D343-W346 PolarHBondContact O-N 3.45Å; D343-W346 PolarHBondContact OD1-N 2.96Å; P344-W346 VanDerWaalsContact C-N 3.35Å; W346-C348 VanDerWaalsContact C-N 3.31Å; W346-C348 PolarHBondContact O-N 2.9Å; W346-M349 HydrophobicContact CE3-CB 3.83Å; W346-M349 HydrophobicContact CE3-CG 4.15Å; W346-M349 HydrophobicContact CE3-SD 3.82Å; W346-M349 HydrophobicContact CZ3-CB 4Å; W346-M349 HydrophobicContact CZ3-CG 3.92Å; W346-M349 HydrophobicContact CZ3-SD 3.69Å; W346-M349 WeakPolarHBondContact O-CB 3.49Å; W346-M349 PolarHBondContact O-N 2.88Å; W346-M349 VanDerWaalsContact O-N 3.11Å; W346-V350 HydrophobicContact CD2-CG2 3.77Å; W346-V350 HydrophobicContact CE3-CG2 3.71Å; W346-V350 HydrophobicContact CH2-CB 4.34Å; W346-V350 HydrophobicContact CH2-CG2 3.08Å; W346-V350 HydrophobicContact CZ2-CG2 3.19Å; W346-V350 HydrophobicContact CZ3-CB 4.38Å; W346-V350 HydrophobicContact CZ3-CG2 3.35Å; W346-V350 WeakPolarHBondContact O-CG2 3.31Å; W346-V350 PolarHBondContact O-N 3.36Å |
| 347 | L | 88.3 | Confident | 86.9 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.3 | -72.8 | 178.9 | 0 | 0 | 0 | 112.5 | A67 L342 D343 P344 M349 V350 Q351 | A67-L347 HydrophobicContact CB-CD2 3.88Å; L342-L347 HydrophobicContact CB-CD1 3.74Å; L342-L347 HydrophobicContact CB-CG 4.46Å; L342-L347 HydrophobicContact CD1-CD1 4.03Å; D343-L347 WeakPolarHBondContact O-CG 3.21Å; D343-L347 PolarHBondContact O-N 2.69Å; P344-L347 PolarHBondContact O-N 3.41Å; L347-M349 VanDerWaalsContact C-N 3.34Å; L347-M349 PolarHBondContact O-N 3.41Å; L347-V350 PolarHBondContact O-N 3.43Å; L347-Q351 WeakPolarHBondContact O-CB 3.48Å; L347-Q351 WeakPolarHBondContact O-CG 3.25Å; L347-Q351 PolarHBondContact O-N 3.41Å |
| 348 | C | 88.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 54% | 0.541 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 174.7 | -76.8 | 0 | 0 | 0 | 0 | 111.5 | P344 V345 W346 V350 Q351 S352 | P344-C348 WeakPolarHBondContact O-CB 3.19Å; P344-C348 PolarHBondContact O-N 3.34Å; P344-C348 PolarHBondContact O-SG 3.46Å; P344-C348 VanDerWaalsContact O-SG 3.32Å; V345-C348 PolarHBondContact O-N 3.38Å; W346-C348 VanDerWaalsContact C-N 3.31Å; W346-C348 PolarHBondContact O-N 2.9Å; C348-V350 PolarHBondContact O-N 2.91Å; C348-Q351 PolarHBondContact O-N 2.96Å; C348-S352 WeakPolarHBondContact O-CB 3.42Å; C348-S352 PolarHBondContact O-N 3.43Å; C348-S352 PolarHBondContact O-OG 2.9Å; C348-S352 VanDerWaalsContact O-OG 3.08Å |
| 349 | M | 90.6 | Very high | 87.5 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 177.1 | -175.4 | -170.1 | -61.7 | 0 | 0 | 112.2 | V345 W346 L347 Q351 S352 F353 | V345-M349 PolarHBondContact O-N 2.89Å; W346-M349 HydrophobicContact CE3-CB 3.83Å; W346-M349 HydrophobicContact CE3-CG 4.15Å; W346-M349 HydrophobicContact CE3-SD 3.82Å; W346-M349 HydrophobicContact CZ3-CB 4Å; W346-M349 HydrophobicContact CZ3-CG 3.92Å; W346-M349 HydrophobicContact CZ3-SD 3.69Å; W346-M349 WeakPolarHBondContact O-CB 3.49Å; W346-M349 PolarHBondContact O-N 2.88Å; W346-M349 VanDerWaalsContact O-N 3.11Å; L347-M349 VanDerWaalsContact C-N 3.34Å; L347-M349 PolarHBondContact O-N 3.41Å; M349-Q351 VanDerWaalsContact C-N 3.35Å; M349-Q351 PolarHBondContact O-N 3.48Å; M349-S352 PolarHBondContact O-N 2.89Å; M349-F353 WeakPolarHBondContact O-CB 3.28Å; M349-F353 PolarHBondContact O-N 3.33Å |
| 350 | V | 90.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 174.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | W64 M68 W346 L347 C348 F353 A354 | W64-V350 HydrophobicContact CB-CG1 3.91Å; W64-V350 HydrophobicContact CB-CG2 4.48Å; W64-V350 HydrophobicContact CG-CG2 4.33Å; M68-V350 HydrophobicContact CE-CG1 3.42Å; M68-V350 VanDerWaalsContact CE-CG1 3.42Å; M68-V350 HydrophobicContact CG-CG1 3.83Å; W346-V350 HydrophobicContact CD2-CG2 3.77Å; W346-V350 HydrophobicContact CE3-CG2 3.71Å; W346-V350 HydrophobicContact CH2-CB 4.34Å; W346-V350 HydrophobicContact CH2-CG2 3.08Å; W346-V350 HydrophobicContact CZ2-CG2 3.19Å; W346-V350 HydrophobicContact CZ3-CB 4.38Å; W346-V350 HydrophobicContact CZ3-CG2 3.35Å; W346-V350 WeakPolarHBondContact O-CG2 3.31Å; W346-V350 PolarHBondContact O-N 3.36Å; L347-V350 PolarHBondContact O-N 3.43Å; C348-V350 PolarHBondContact O-N 2.91Å; V350-F353 PolarHBondContact O-N 2.67Å; V350-A354 PolarHBondContact O-N 2.87Å |
| 351 | Q | 88.6 | Confident | 88.3 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | -178.4 | -67.5 | -74.9 | 0.4 | 0 | 0 | 110.5 | N28 S71 L347 C348 M349 F353 A354 F355 | N28-Q351 PolarHBondContact OD1-OE1 3.04Å; S71-Q351 PolarHBondContact OG-NE2 3.29Å; L347-Q351 WeakPolarHBondContact O-CB 3.48Å; L347-Q351 WeakPolarHBondContact O-CG 3.25Å; L347-Q351 PolarHBondContact O-N 3.41Å; C348-Q351 PolarHBondContact O-N 2.96Å; M349-Q351 VanDerWaalsContact C-N 3.35Å; M349-Q351 PolarHBondContact O-N 3.48Å; Q351-F353 VanDerWaalsContact C-N 3.32Å; Q351-F353 PolarHBondContact O-N 2.88Å; Q351-A354 WeakPolarHBondContact O-CB 3.3Å; Q351-A354 PolarHBondContact O-N 3.25Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; Q351-F355 WeakPolarHBondContact O-CD2 3.27Å; Q351-F355 PolarHBondContact O-N 3.38Å |
| 352 | S | 89.8 | Confident | 88.8 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 54% | 0.538 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | C348 M349 A354 F355 A356 | C348-S352 WeakPolarHBondContact O-CB 3.42Å; C348-S352 PolarHBondContact O-N 3.43Å; C348-S352 PolarHBondContact O-OG 2.9Å; C348-S352 VanDerWaalsContact O-OG 3.08Å; M349-S352 PolarHBondContact O-N 2.89Å; S352-A354 VanDerWaalsContact C-N 3.32Å; S352-A354 PolarHBondContact O-N 2.98Å; S352-F355 PolarHBondContact O-N 3.14Å; S352-A356 VanDerWaalsContact O-CB 3.29Å; S352-A356 WeakPolarHBondContact O-CB 3.36Å; S352-A356 PolarHBondContact O-N 3.25Å |
| 353 | F | 90.6 | Very high | 89.2 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175.5 | 179.4 | -94.5 | 0 | 0 | 0 | 112.1 | Y39 W64 M349 V350 Q351 S357 | Y39-F353 HydrophobicContact CE2-CE1 4.3Å; Y39-F353 HydrophobicContact CE2-CZ 4.36Å; W64-F353 AromaticContact CE3-CD1 3.96Å; W64-F353 HydrophobicContact CE3-CD1 3.96Å; W64-F353 HydrophobicContact CE3-CE1 4.04Å; W64-F353 AromaticContact CZ3-CD1 3.68Å; W64-F353 HydrophobicContact CZ3-CD1 3.68Å; W64-F353 AromaticContact CZ3-CE1 3.52Å; W64-F353 HydrophobicContact CZ3-CE1 3.52Å; W64-F353 HydrophobicContact CZ3-CG 4.33Å; W64-F353 HydrophobicContact CZ3-CZ 4.03Å; M349-F353 WeakPolarHBondContact O-CB 3.28Å; M349-F353 PolarHBondContact O-N 3.33Å; V350-F353 PolarHBondContact O-N 2.67Å; Q351-F353 VanDerWaalsContact C-N 3.32Å; Q351-F353 PolarHBondContact O-N 2.88Å; F353-S357 WeakPolarHBondContact CE1-OG 3.3Å; F353-S357 WeakPolarHBondContact CZ-OG 3.36Å; F353-S357 WeakPolarHBondContact O-CB 3.29Å; F353-S357 PolarHBondContact O-N 3.43Å; F353-S357 PolarHBondContact O-OG 2.87Å |
| 354 | A | 89.2 | Confident | 89.3 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V31 A32 M68 V350 Q351 S352 S357 G358 | V31-A354 WeakPolarHBondContact CG1-O 3.42Å; A32-A354 HydrophobicContact CB-CB 4.27Å; M68-A354 HydrophobicContact CE-CB 3.37Å; M68-A354 HydrophobicContact SD-CB 4.27Å; V350-A354 PolarHBondContact O-N 2.87Å; Q351-A354 WeakPolarHBondContact O-CB 3.3Å; Q351-A354 PolarHBondContact O-N 3.25Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; S352-A354 VanDerWaalsContact C-N 3.32Å; S352-A354 PolarHBondContact O-N 2.98Å; A354-S357 WeakPolarHBondContact O-CB 3.08Å; A354-S357 PolarHBondContact O-N 2.84Å; A354-G358 PolarHBondContact O-N 2.92Å |
| 355 | F | 90.3 | Very high | 89.4 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 33% | 0.333 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.2 | -77.3 | -72.3 | 0 | 0 | 0 | 112.3 | F24 N28 V31 Q351 S352 S357 G358 Y359 | F24-F355 HydrophobicContact CE2-CE2 4.05Å; F24-F355 HydrophobicContact CE2-CZ 4.08Å; F24-F355 HydrophobicContact CZ-CE2 4.44Å; N28-F355 HydrophobicContact CB-CZ 4.34Å; V31-F355 HydrophobicContact CG1-CD1 4.5Å; Q351-F355 WeakPolarHBondContact O-CD2 3.27Å; Q351-F355 PolarHBondContact O-N 3.38Å; S352-F355 PolarHBondContact O-N 3.14Å; F355-S357 VanDerWaalsContact C-N 3.34Å; F355-S357 PolarHBondContact O-N 3.14Å; F355-G358 PolarHBondContact O-N 3.46Å; F355-Y359 PolarHBondContact O-N 3.38Å |
| 356 | A | 90.8 | Very high | 89.4 | Confident | 60 Ų | 60 | 64 Ų | 64 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S352 Y359 M360 | S352-A356 VanDerWaalsContact O-CB 3.29Å; S352-A356 WeakPolarHBondContact O-CB 3.36Å; S352-A356 PolarHBondContact O-N 3.25Å; A356-Y359 PolarHBondContact O-N 2.91Å; A356-M360 WeakPolarHBondContact O-CB 3.45Å; A356-M360 PolarHBondContact O-N 3.01Å |
| 357 | S | 89 | Confident | 89.4 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | Y39 F353 A354 F355 Y359 M360 W361 | Y39-S357 VanDerWaalsContact OH-CB 3.28Å; Y39-S357 WeakPolarHBondContact OH-CB 3.21Å; Y39-S357 PolarHBondContact OH-OG 3.02Å; F353-S357 WeakPolarHBondContact CE1-OG 3.3Å; F353-S357 WeakPolarHBondContact CZ-OG 3.36Å; F353-S357 WeakPolarHBondContact O-CB 3.29Å; F353-S357 PolarHBondContact O-N 3.43Å; F353-S357 PolarHBondContact O-OG 2.87Å; A354-S357 WeakPolarHBondContact O-CB 3.08Å; A354-S357 PolarHBondContact O-N 2.84Å; F355-S357 VanDerWaalsContact C-N 3.34Å; F355-S357 PolarHBondContact O-N 3.14Å; S357-Y359 PolarHBondContact O-N 2.89Å; S357-M360 PolarHBondContact O-N 2.94Å; S357-W361 WeakPolarHBondContact O-CB 3.46Å; S357-W361 PolarHBondContact O-N 2.95Å |
| 358 | G | 86.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S35 A354 F355 W361 Y362 | S35-G358 WeakPolarHBondContact OG-CA 3.31Å; S35-G358 PolarHBondContact OG-N 3.35Å; A354-G358 PolarHBondContact O-N 2.92Å; F355-G358 PolarHBondContact O-N 3.46Å; G358-W361 PolarHBondContact O-N 3.24Å; G358-Y362 VanDerWaalsContact O-CB 3.3Å; G358-Y362 WeakPolarHBondContact O-CB 3.35Å; G358-Y362 PolarHBondContact O-N 3.41Å |
| 359 | Y | 89.6 | Confident | 89.3 | Confident | 155 Ų | 155 | 74.6 Ų | 74.6 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 176.3 | -178.2 | -107.3 | 0 | 0 | 0 | 111.9 | F355 A356 S357 Y362 N363 | F355-Y359 PolarHBondContact O-N 3.38Å; A356-Y359 PolarHBondContact O-N 2.91Å; S357-Y359 PolarHBondContact O-N 2.89Å; Y359-Y362 PolarHBondContact O-N 3.44Å; Y359-N363 WeakPolarHBondContact CD1-ND2 3.34Å; Y359-N363 WeakPolarHBondContact CE1-ND2 3.28Å; Y359-N363 PolarHBondContact O-N 2.88Å; Y359-N363 PolarHBondContact O-ND2 3.46Å |
| 360 | M | 92.1 | Very high | 89.1 | Confident | 82 Ų | 82 | 73 Ų | 73 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -52.3 | 174.6 | -179.5 | -170.2 | 71.1 | 0 | 0 | 111.2 | Y39 A356 S357 Y362 N363 V364 | Y39-M360 HydrophobicContact CE1-CE 4Å; Y39-M360 VanDerWaalsContact OH-CE 3.31Å; Y39-M360 WeakPolarHBondContact OH-CE 3.38Å; A356-M360 WeakPolarHBondContact O-CB 3.45Å; A356-M360 PolarHBondContact O-N 3.01Å; S357-M360 PolarHBondContact O-N 2.94Å; M360-Y362 VanDerWaalsContact C-N 3.32Å; M360-Y362 PolarHBondContact O-N 3.28Å; M360-N363 PolarHBondContact O-N 3.3Å; M360-V364 WeakPolarHBondContact O-CG2 3.48Å; M360-V364 PolarHBondContact O-N 3.05Å |
| 361 | W | 89.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 11% | 0.114 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 179.6 | -79.3 | 119.4 | 0 | 0 | 0 | 112.7 | L38 Y39 L42 S357 G358 V364 L365 | L38-W361 HydrophobicContact CB-CD2 3.79Å; L38-W361 HydrophobicContact CB-CE3 4.1Å; L38-W361 HydrophobicContact CB-CG 4.34Å; L38-W361 HydrophobicContact CB-CH2 4.06Å; L38-W361 HydrophobicContact CB-CZ2 3.74Å; L38-W361 HydrophobicContact CB-CZ3 4.23Å; L38-W361 HydrophobicContact CD1-CB 3.84Å; L38-W361 HydrophobicContact CD1-CD2 3.65Å; L38-W361 HydrophobicContact CD1-CE3 3.84Å; L38-W361 HydrophobicContact CD1-CG 3.65Å; L38-W361 HydrophobicContact CG-CD2 4.33Å; L38-W361 HydrophobicContact CG-CE3 4.43Å; Y39-W361 AromaticContact CD1-CZ2 3.84Å; Y39-W361 HydrophobicContact CD1-CZ2 3.84Å; Y39-W361 AromaticContact CD1-NE1 3.91Å; Y39-W361 AromaticContact CD2-NE1 3.92Å; Y39-W361 HydrophobicContact CE1-CZ2 4.03Å; Y39-W361 AromaticContact CE1-NE1 3.64Å; Y39-W361 AromaticContact CE2-NE1 3.67Å; Y39-W361 HydrophobicContact CG-CZ2 4.4Å; Y39-W361 AromaticContact CZ-NE1 3.52Å; L42-W361 HydrophobicContact CB-CH2 4.36Å; L42-W361 HydrophobicContact CD2-CH2 4.22Å; L42-W361 HydrophobicContact CD2-CZ2 4.43Å; S357-W361 WeakPolarHBondContact O-CB 3.46Å; S357-W361 PolarHBondContact O-N 2.95Å; G358-W361 PolarHBondContact O-N 3.24Å; W361-V364 HydrophobicContact CE3-CB 4.41Å; W361-V364 HydrophobicContact CE3-CG1 4.34Å; W361-V364 HydrophobicContact CZ3-CG1 4.36Å; W361-V364 PolarHBondContact O-N 3.36Å; W361-L365 WeakPolarHBondContact O-CB 3.29Å; W361-L365 VanDerWaalsContact O-CG 3.25Å; W361-L365 WeakPolarHBondContact O-CG 3.29Å; W361-L365 PolarHBondContact O-N 3.41Å |
| 362 | Y | 89.4 | Confident | 88 | Confident | 143 Ų | 143 | 82.3 Ų | 82.3 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.5 | -49.2 | 173.7 | 176 | -99 | 0 | 0 | 0 | 111.5 | G358 Y359 M360 V364 L365 Q366 | G358-Y362 VanDerWaalsContact O-CB 3.3Å; G358-Y362 WeakPolarHBondContact O-CB 3.35Å; G358-Y362 PolarHBondContact O-N 3.41Å; Y359-Y362 PolarHBondContact O-N 3.44Å; M360-Y362 VanDerWaalsContact C-N 3.32Å; M360-Y362 PolarHBondContact O-N 3.28Å; Y362-V364 PolarHBondContact O-N 3.43Å; Y362-L365 PolarHBondContact O-N 2.89Å; Y362-Q366 VanDerWaalsContact CE1-OE1 3.25Å; Y362-Q366 VanDerWaalsContact O-CB 3.31Å; Y362-Q366 WeakPolarHBondContact O-CB 3.36Å; Y362-Q366 PolarHBondContact O-N 2.98Å |
| 363 | N | 89.3 | Confident | 86.9 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.6 | -69.7 | -35.1 | 0 | 0 | 0 | 112.4 | Y359 M360 Q366 Y367 | Y359-N363 WeakPolarHBondContact CD1-ND2 3.34Å; Y359-N363 WeakPolarHBondContact CE1-ND2 3.28Å; Y359-N363 PolarHBondContact O-N 2.88Å; Y359-N363 PolarHBondContact O-ND2 3.46Å; M360-N363 PolarHBondContact O-N 3.3Å; N363-Q366 PolarHBondContact O-N 3.03Å; N363-Y367 WeakPolarHBondContact O-CB 3.3Å; N363-Y367 PolarHBondContact O-N 2.94Å |
| 364 | V | 88.1 | Confident | 86.7 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 36% | 0.358 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 177 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | M360 W361 Y362 Y367 L368 | M360-V364 WeakPolarHBondContact O-CG2 3.48Å; M360-V364 PolarHBondContact O-N 3.05Å; W361-V364 HydrophobicContact CE3-CB 4.41Å; W361-V364 HydrophobicContact CE3-CG1 4.34Å; W361-V364 HydrophobicContact CZ3-CG1 4.36Å; W361-V364 PolarHBondContact O-N 3.36Å; Y362-V364 PolarHBondContact O-N 3.43Å; V364-Y367 PolarHBondContact O-N 3.4Å; V364-L368 HydrophobicContact CG1-CD1 4.01Å; V364-L368 WeakPolarHBondContact O-CB 3.39Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 2.89Å |
| 365 | L | 88.2 | Confident | 86.6 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 48% | 0.476 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 179.2 | -70.3 | 173.1 | 0 | 0 | 0 | 112 | L38 W361 Y362 L368 Y369 | L38-L365 HydrophobicContact CD1-CD1 4.19Å; W361-L365 WeakPolarHBondContact O-CB 3.29Å; W361-L365 VanDerWaalsContact O-CG 3.25Å; W361-L365 WeakPolarHBondContact O-CG 3.29Å; W361-L365 PolarHBondContact O-N 3.41Å; Y362-L365 PolarHBondContact O-N 2.89Å; L365-L368 PolarHBondContact O-N 3.4Å; L365-Y369 WeakPolarHBondContact O-CB 3.29Å; L365-Y369 PolarHBondContact O-N 3.48Å |
| 366 | Q | 88.4 | Confident | 86.4 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 43% | 0.425 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.1 | -175.9 | 178.2 | -11.5 | 0 | 0 | 111.3 | Y362 N363 Y369 C370 | Y362-Q366 VanDerWaalsContact CE1-OE1 3.25Å; Y362-Q366 VanDerWaalsContact O-CB 3.31Å; Y362-Q366 WeakPolarHBondContact O-CB 3.36Å; Y362-Q366 PolarHBondContact O-N 2.98Å; N363-Q366 PolarHBondContact O-N 3.03Å; Q366-Y369 WeakPolarHBondContact O-CB 3.39Å; Q366-Y369 PolarHBondContact O-N 2.93Å; Q366-C370 PolarHBondContact O-N 3.44Å; Q366-C370 PolarHBondContact O-SG 3.2Å; Q366-C370 VanDerWaalsContact O-SG 3.35Å |
| 367 | Y | 89.1 | Confident | 86.1 | Confident | 164 Ų | 164 | 94.8 Ų | 94.8 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 175.4 | -179.2 | -99.7 | 0 | 0 | 0 | 111.5 | N363 V364 Y369 C370 C371 | N363-Y367 WeakPolarHBondContact O-CB 3.3Å; N363-Y367 PolarHBondContact O-N 2.94Å; V364-Y367 PolarHBondContact O-N 3.4Å; Y367-Y369 VanDerWaalsContact C-N 3.29Å; Y367-Y369 PolarHBondContact O-N 2.86Å; Y367-C370 PolarHBondContact O-N 2.86Å; Y367-C371 VanDerWaalsContact CE1-SG 3.59Å; Y367-C371 VanDerWaalsContact CZ-SG 3.57Å; Y367-C371 PolarHBondContact O-N 3.35Å; Y367-C371 PolarHBondContact O-SG 3.15Å |
| 368 | L | 86.7 | Confident | 85.9 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.8 | -72 | 171.4 | 0 | 0 | 0 | 112.2 | V364 L365 C371 L372 | V364-L368 HydrophobicContact CG1-CD1 4.01Å; V364-L368 WeakPolarHBondContact O-CB 3.39Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 2.89Å; L365-L368 PolarHBondContact O-N 3.4Å; L368-C371 PolarHBondContact O-N 2.97Å; L368-L372 WeakPolarHBondContact O-CB 3.47Å; L368-L372 WeakPolarHBondContact O-CD1 3.36Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 3.28Å |
| 369 | Y | 87.5 | Confident | 85.9 | Confident | 145 Ų | 145 | 106.3 Ų | 106.3 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -48.5 | 176.1 | -177.3 | -98.8 | 0 | 0 | 0 | 111.4 | L365 Q366 Y367 C371 L372 F373 | L365-Y369 WeakPolarHBondContact O-CB 3.29Å; L365-Y369 PolarHBondContact O-N 3.48Å; Q366-Y369 WeakPolarHBondContact O-CB 3.39Å; Q366-Y369 PolarHBondContact O-N 2.93Å; Y367-Y369 VanDerWaalsContact C-N 3.29Å; Y367-Y369 PolarHBondContact O-N 2.86Å; Y369-C371 PolarHBondContact O-N 2.94Å; Y369-L372 PolarHBondContact O-N 3.31Å; Y369-F373 AromaticContact CD2-CD2 3.58Å; Y369-F373 HydrophobicContact CD2-CD2 3.58Å; Y369-F373 AromaticContact CD2-CE2 3.99Å; Y369-F373 HydrophobicContact CD2-CE2 3.99Å; Y369-F373 AromaticContact CE2-CD2 3.45Å; Y369-F373 HydrophobicContact CE2-CD2 3.45Å; Y369-F373 VanDerWaalsContact CE2-CD2 3.45Å; Y369-F373 AromaticContact CE2-CE2 3.85Å; Y369-F373 HydrophobicContact CE2-CE2 3.85Å; Y369-F373 HydrophobicContact CE2-CG 4.15Å; Y369-F373 HydrophobicContact CG-CD2 4.33Å; Y369-F373 PolarHBondContact O-N 2.93Å |
| 370 | C | 86.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -19.7 | 176.6 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | Q366 Y367 F373 | Q366-C370 PolarHBondContact O-N 3.44Å; Q366-C370 PolarHBondContact O-SG 3.2Å; Q366-C370 VanDerWaalsContact O-SG 3.35Å; Y367-C370 PolarHBondContact O-N 2.86Å; C370-F373 VanDerWaalsContact O-OXT 3.13Å |
| 371 | C | 79.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 104.5 Ų | 104.5 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -86 | -26.1 | 174 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | Y367 L368 Y369 | Y367-C371 VanDerWaalsContact CE1-SG 3.59Å; Y367-C371 VanDerWaalsContact CZ-SG 3.57Å; Y367-C371 PolarHBondContact O-N 3.35Å; Y367-C371 PolarHBondContact O-SG 3.15Å; L368-C371 PolarHBondContact O-N 2.97Å; Y369-C371 PolarHBondContact O-N 2.94Å |
| 372 | L | 77.7 | Confident | 84.7 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -95.2 | -26 | -176.9 | -73.2 | 167 | 0 | 0 | 0 | 113.2 | L368 Y369 | L368-L372 WeakPolarHBondContact O-CB 3.47Å; L368-L372 WeakPolarHBondContact O-CD1 3.36Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 3.28Å; Y369-L372 PolarHBondContact O-N 3.31Å |
| 373 | F | 65.4 | Low | 84.3 | Confident | 193 Ų | 193 | 107.7 Ų | 107.7 | 85% | 0.846 | 54% | 0.535 | S | S | * | . | trans | -130 | 0 | 177.6 | -60.2 | -81.9 | 0 | 0 | 0 | 109.3 | Y369 C370 | Y369-F373 AromaticContact CD2-CD2 3.58Å; Y369-F373 HydrophobicContact CD2-CD2 3.58Å; Y369-F373 AromaticContact CD2-CE2 3.99Å; Y369-F373 HydrophobicContact CD2-CE2 3.99Å; Y369-F373 AromaticContact CE2-CD2 3.45Å; Y369-F373 HydrophobicContact CE2-CD2 3.45Å; Y369-F373 VanDerWaalsContact CE2-CD2 3.45Å; Y369-F373 AromaticContact CE2-CE2 3.85Å; Y369-F373 HydrophobicContact CE2-CE2 3.85Å; Y369-F373 HydrophobicContact CE2-CG 4.15Å; Y369-F373 HydrophobicContact CG-CD2 4.33Å; Y369-F373 PolarHBondContact O-N 2.93Å; C370-F373 VanDerWaalsContact O-OXT 3.13Å |
Retrieved 373 of 373 residues in 86.2 ms
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