| 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 | 34.2 | Very low | 50.1 | Low | 241 Ų | 241 | 119.1 Ų | 119.1 | 100% | 1.187 | 69% | 0.685 | S | S | * | * | 0 | 115.6 | 0 | -73.3 | 169.4 | 175.7 | 0 | 0 | 105.6 | D3 | M1-D3 PolarHBondContact O-N 2.87Š| |||
| 2 | T | 34.9 | Very low | 53.5 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -72.2 | 105.1 | 179.6 | 44.3 | 0 | 0 | 0 | 0 | 108 | N4 | T2-N4 VanDerWaalsContact C-N 3.28Å; T2-N4 PolarHBondContact O-N 3.05Å | ||
| 3 | D | 33.8 | Very low | 56.4 | Low | 159 Ų | 159 | 106.3 Ų | 106.3 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | trans | -64.7 | 98.2 | 162 | -91.9 | -25.3 | 0 | 0 | 0 | 106.8 | M1 S5 | M1-D3 PolarHBondContact O-N 2.87Å; D3-S5 PolarHBondContact O-N 3.33Å | ||
| 4 | N | 34.8 | Very low | 58.8 | Low | 150 Ų | 150 | 104.6 Ų | 104.6 | 80% | 0.802 | 61% | 0.606 | S | S | * | * | trans | -66.8 | 78.6 | 159.1 | -83.1 | -15.5 | 0 | 0 | 0 | 106.2 | T2 C6 | T2-N4 VanDerWaalsContact C-N 3.28Å; T2-N4 PolarHBondContact O-N 3.05Å; N4-C6 PolarHBondContact O-N 2.96Å | ||
| 5 | S | 40.6 | Very low | 60.8 | Low | 85 Ų | 85 | 103.3 Ų | 103.3 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | trans | -55.5 | 127.7 | 163.3 | 63.8 | 0 | 0 | 0 | 0 | 106.2 | D3 C7 | D3-S5 PolarHBondContact O-N 3.33Å; S5-C7 PolarHBondContact O-N 3.23Å | ||
| 6 | C | 36.3 | Very low | 62.5 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 81% | 0.811 | 59% | 0.592 | S | S | * | * | trans | -67 | 75 | -178.6 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | N4 K8 | N4-C6 PolarHBondContact O-N 2.96Å; C6-K8 PolarHBondContact O-N 3.36Å | ||
| 7 | C | 46.6 | Very low | 64.1 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | trans | -63.5 | 104.4 | 165.8 | -79.9 | 0 | 0 | 0 | 0 | 105.4 | S5 S9 | S5-C7 PolarHBondContact O-N 3.23Å; C7-S9 PolarHBondContact O-N 3.4Å | ||
| 8 | K | 53.6 | Low | 65.7 | Low | 119 Ų | 119 | 96.2 Ų | 96.2 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | trans | -43.1 | 137.5 | 161.5 | -83.2 | -179 | -177.3 | 166.3 | 0 | 107.4 | C6 L10 E70 | C6-K8 PolarHBondContact O-N 3.36Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.11Å; K8-E70 VanDerWaalsContact CE-OE1 3.27Å; K8-E70 WeakPolarHBondContact CE-OE1 3.47Å; K8-E70 IonicContact NZ-OE1 2.66Å; K8-E70 PolarHBondContact NZ-OE1 3.3Å | ||
| 9 | S | 64 | Low | 67 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | trans | -60.9 | 96 | -179 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | C7 T11 | C7-S9 PolarHBondContact O-N 3.4Å; S9-T11 PolarHBondContact O-N 3.39Å; S9-T11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | L | 83.2 | Confident | 68.2 | Low | 57 Ų | 57 | 101.5 Ų | 101.5 | 30% | 0.298 | 55% | 0.551 | S | S | . | * | trans | -56.7 | 120.3 | 173.8 | 171.7 | 61.8 | 0 | 0 | 0 | 107.8 | K8 S12 L63 L77 A80 L84 | K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.11Å; L10-S12 PolarHBondContact O-N 3.36Å; L10-S12 VanDerWaalsContact O-N 3.11Å; L10-L63 HydrophobicContact CD1-CD1 4.43Å; L10-L63 HydrophobicContact CD2-CD1 3.74Å; L10-L63 HydrophobicContact CD2-CD2 4.33Å; L10-L63 HydrophobicContact CD2-CG 4.4Å; L10-L77 HydrophobicContact CD1-CD2 3.44Å; L10-L77 VanDerWaalsContact CD1-CD2 3.44Å; L10-L77 HydrophobicContact CD1-CG 3.92Å; L10-A80 HydrophobicContact CD1-CB 4.34Å; L10-L84 HydrophobicContact CD2-CD1 3.51Å; L10-L84 HydrophobicContact CG-CD1 3.81Å | ||
| 11 | T | 88.9 | Confident | 69.3 | Low | 53 Ų | 53 | 96.9 Ų | 96.9 | 33% | 0.325 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 112.8 | -179.4 | -50.3 | 0 | 0 | 0 | 0 | 109.2 | S9 V13 W41 I78 G79 A80 | S9-T11 PolarHBondContact O-N 3.39Å; S9-T11 VanDerWaalsContact O-N 3.16Å; T11-V13 HydrophobicContact CG2-CG2 4.08Å; T11-V13 PolarHBondContact O-N 2.9Å; T11-W41 HydrophobicContact CG2-CH2 3.7Å; T11-W41 HydrophobicContact CG2-CZ2 3.75Å; T11-I78 WeakPolarHBondContact CB-O 3.44Å; T11-I78 PolarHBondContact OG1-O 3.11Å; T11-G79 CarbonylContact O-C 3.57Å; T11-G79 WeakPolarHBondContact O-CA 3.47Å; T11-A80 PolarHBondContact O-N 3.13Å |
| 12 | S | 90.9 | Very high | 72 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.3 | 170.9 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | L10 | L10-S12 PolarHBondContact O-N 3.36Å; L10-S12 VanDerWaalsContact O-N 3.11Å |
| 13 | V | 91.6 | Very high | 74.4 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 47% | 0.473 | C | S | . | . | trans | -112.5 | 119.3 | -177.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | T11 L17 M18 I21 W41 A80 G81 P82 F90 I92 | T11-V13 HydrophobicContact CG2-CG2 4.08Å; T11-V13 PolarHBondContact O-N 2.9Å; V13-L17 HydrophobicContact CG1-CB 3.96Å; V13-L17 HydrophobicContact CG1-CD2 4.11Å; V13-L17 HydrophobicContact CG1-CG 3.97Å; V13-L17 HydrophobicContact CG2-CD2 4.48Å; V13-M18 HydrophobicContact CG1-CB 4.37Å; V13-M18 HydrophobicContact CG1-CE 3.74Å; V13-I21 HydrophobicContact CG1-CD1 3.89Å; V13-W41 HydrophobicContact CB-CZ3 4.48Å; V13-W41 HydrophobicContact CG1-CZ3 4.12Å; V13-W41 HydrophobicContact CG2-CH2 3.64Å; V13-W41 HydrophobicContact CG2-CZ3 3.51Å; V13-A80 PolarHBondContact N-O 3.07Å; V13-G81 WeakPolarHBondContact O-CA 3.44Å; V13-P82 WeakPolarHBondContact O-CA 3.45Å; V13-F90 HydrophobicContact CB-CE2 4.05Å; V13-F90 HydrophobicContact CB-CZ 4.21Å; V13-F90 HydrophobicContact CG1-CE2 4.32Å; V13-F90 HydrophobicContact CG1-CZ 4.27Å; V13-F90 VanDerWaalsContact O-CZ 3.3Å; V13-F90 WeakPolarHBondContact O-CZ 3.4Å; V13-I92 HydrophobicContact CB-CD1 3.95Å; V13-I92 HydrophobicContact CG1-CD1 4.07Å; V13-I92 HydrophobicContact CG2-CD1 3.52Å | ||
| 14 | N | 90.4 | Very high | 76.5 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | trans | -82.1 | 171.7 | 176.9 | 70.4 | 23.9 | 0 | 0 | 0 | 111.5 | E16 L17 M18 | N14-E16 PolarHBondContact O-N 3.42Å; N14-E16 WeakPolarHBondContact OD1-CB 3.37Å; N14-E16 PolarHBondContact OD1-N 3.29Å; N14-L17 PolarHBondContact O-N 3.39Å; N14-L17 PolarHBondContact OD1-N 2.94Å; N14-M18 WeakPolarHBondContact O-CB 3.33Å; N14-M18 PolarHBondContact O-N 3.19Å | ||
| 15 | N | 87.9 | Confident | 78.4 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -28 | 179.9 | -74.5 | -41.9 | 0 | 0 | 0 | 114 | R19 | N15-R19 WeakPolarHBondContact O-CG 3.3Å; N15-R19 PolarHBondContact O-N 3.23Å |
| 16 | E | 88.9 | Confident | 80.4 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72 | -49 | 179 | -170.2 | -168.4 | 149.4 | 0 | 0 | 111.2 | N14 M18 R19 K20 | N14-E16 PolarHBondContact O-N 3.42Å; N14-E16 WeakPolarHBondContact OD1-CB 3.37Å; N14-E16 PolarHBondContact OD1-N 3.29Å; E16-M18 VanDerWaalsContact C-N 3.25Å; E16-M18 PolarHBondContact O-N 3.37Å; E16-R19 PolarHBondContact O-N 3.18Å; E16-K20 PolarHBondContact O-N 3.47Å; E16-K20 IonicContact OE1-NZ 3.56Å |
| 17 | L | 89.8 | Confident | 82.9 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 176.2 | -174.5 | 56 | 0 | 0 | 0 | 110.9 | V13 N14 R19 K20 I21 W41 | V13-L17 HydrophobicContact CG1-CB 3.96Å; V13-L17 HydrophobicContact CG1-CD2 4.11Å; V13-L17 HydrophobicContact CG1-CG 3.97Å; V13-L17 HydrophobicContact CG2-CD2 4.48Å; N14-L17 PolarHBondContact O-N 3.39Å; N14-L17 PolarHBondContact OD1-N 2.94Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.18Å; L17-K20 HydrophobicContact CD1-CD 4.47Å; L17-K20 WeakPolarHBondContact O-CB 3.47Å; L17-K20 PolarHBondContact O-N 2.92Å; L17-K20 VanDerWaalsContact O-N 3.11Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.34Å; L17-W41 HydrophobicContact CD1-CZ3 4.31Å; L17-W41 HydrophobicContact CD2-CH2 3.37Å; L17-W41 HydrophobicContact CD2-CZ3 3.44Å; L17-W41 VanDerWaalsContact CD2-CZ3 3.44Å; L17-W41 HydrophobicContact CG-CH2 4.16Å; L17-W41 HydrophobicContact CG-CZ3 3.7Å |
| 18 | M | 92.1 | Very high | 84.7 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 3% | 0.034 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 173.4 | -174.1 | 47.8 | 53.8 | 0 | 0 | 113.4 | V13 N14 E16 K20 I21 L22 V48 F50 F90 I92 | V13-M18 HydrophobicContact CG1-CB 4.37Å; V13-M18 HydrophobicContact CG1-CE 3.74Å; N14-M18 WeakPolarHBondContact O-CB 3.33Å; N14-M18 PolarHBondContact O-N 3.19Å; E16-M18 VanDerWaalsContact C-N 3.25Å; E16-M18 PolarHBondContact O-N 3.37Å; M18-K20 VanDerWaalsContact C-N 3.28Å; M18-K20 PolarHBondContact O-N 3.11Å; M18-I21 HydrophobicContact CE-CD1 3.69Å; M18-I21 PolarHBondContact O-N 2.93Å; M18-I21 HydrophobicContact SD-CB 4.37Å; M18-I21 HydrophobicContact SD-CD1 4.19Å; M18-L22 HydrophobicContact CG-CD1 4.08Å; M18-L22 PolarHBondContact O-N 2.66Å; M18-L22 VanDerWaalsContact O-N 3.16Å; M18-L22 HydrophobicContact SD-CD1 3.58Å; M18-L22 VanDerWaalsContact SD-CD1 3.58Å; M18-L22 HydrophobicContact SD-CG 3.91Å; M18-V48 HydrophobicContact CE-CG1 4.08Å; M18-V48 HydrophobicContact SD-CG1 3.74Å; M18-V48 HydrophobicContact SD-CG2 4.31Å; M18-F50 HydrophobicContact CG-CE1 4.41Å; M18-F50 HydrophobicContact CG-CZ 3.78Å; M18-F50 HydrophobicContact SD-CE2 4.38Å; M18-F50 HydrophobicContact SD-CZ 3.83Å; M18-F90 HydrophobicContact CB-CE1 4.44Å; M18-F90 HydrophobicContact CB-CZ 4.32Å; M18-F90 HydrophobicContact CE-CD1 4.4Å; M18-F90 HydrophobicContact CE-CD2 3.53Å; M18-F90 HydrophobicContact CE-CE1 4.06Å; M18-F90 HydrophobicContact CE-CE2 3.17Å; M18-F90 HydrophobicContact CE-CG 4.16Å; M18-F90 HydrophobicContact CE-CZ 3.44Å; M18-F90 VanDerWaalsContact CE-CZ 3.44Å; M18-F90 HydrophobicContact CG-CE1 4.18Å; M18-F90 HydrophobicContact CG-CZ 4.32Å; M18-I92 HydrophobicContact CE-CD1 3.71Å; M18-I92 HydrophobicContact CE-CG1 4Å |
| 19 | R | 89.9 | Confident | 86.2 | Confident | 175 Ų | 175 | 77.1 Ų | 77.1 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63 | -35.3 | 175.4 | -71.9 | -179.6 | -152.5 | 111.5 | 0.9 | 112.3 | N15 E16 L17 L22 E23 | N15-R19 WeakPolarHBondContact O-CG 3.3Å; N15-R19 PolarHBondContact O-N 3.23Å; E16-R19 PolarHBondContact O-N 3.18Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.18Å; R19-L22 CarbonylContact O-C 3.46Å; R19-L22 PolarHBondContact O-N 2.72Å; R19-E23 PolarHBondContact O-N 2.7Å; R19-E23 VanDerWaalsContact O-N 3.1Å |
| 20 | K | 90.8 | Very high | 87.2 | Confident | 122 Ų | 122 | 76.2 Ų | 76.2 | 53% | 0.53 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 176.2 | -64.8 | 176.7 | -178.9 | 167.6 | 0 | 111.6 | E16 L17 M18 L22 E23 | E16-K20 PolarHBondContact O-N 3.47Å; E16-K20 IonicContact OE1-NZ 3.56Å; L17-K20 HydrophobicContact CD1-CD 4.47Å; L17-K20 WeakPolarHBondContact O-CB 3.47Å; L17-K20 PolarHBondContact O-N 2.92Å; L17-K20 VanDerWaalsContact O-N 3.11Å; M18-K20 VanDerWaalsContact C-N 3.28Å; M18-K20 PolarHBondContact O-N 3.11Å; K20-L22 PolarHBondContact O-N 3.01Å; K20-E23 WeakPolarHBondContact O-CB 3.41Å; K20-E23 PolarHBondContact O-N 3.16Å |
| 21 | I | 91.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -35 | 177.4 | -63.5 | 163.4 | 0 | 0 | 0 | 111.7 | V13 L17 M18 G39 V40 W41 V46 V48 I92 | V13-I21 HydrophobicContact CG1-CD1 3.89Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.34Å; M18-I21 HydrophobicContact CE-CD1 3.69Å; M18-I21 PolarHBondContact O-N 2.93Å; M18-I21 HydrophobicContact SD-CB 4.37Å; M18-I21 HydrophobicContact SD-CD1 4.19Å; I21-G39 CarbonylContact O-C 3.52Å; I21-G39 WeakPolarHBondContact O-CA 3.13Å; I21-V40 WeakPolarHBondContact CA-O 3.32Å; I21-V40 PolarHBondContact O-N 3.2Å; I21-W41 HydrophobicContact CD1-CE3 3.32Å; I21-W41 HydrophobicContact CD1-CZ3 3.58Å; I21-W41 HydrophobicContact CG1-CE3 3.68Å; I21-W41 HydrophobicContact CG1-CZ3 4.24Å; I21-V46 HydrophobicContact CG2-CG2 3.89Å; I21-V48 HydrophobicContact CG2-CG2 3.82Å; I21-I92 HydrophobicContact CD1-CD1 3.81Å |
| 22 | L | 90.9 | Very high | 86.6 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 13% | 0.126 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 19.4 | -174.8 | -64.1 | 177.2 | 0 | 0 | 0 | 113 | M18 R19 K20 D24 K25 Y37 V48 F50 | M18-L22 HydrophobicContact CG-CD1 4.08Å; M18-L22 PolarHBondContact O-N 2.66Å; M18-L22 VanDerWaalsContact O-N 3.16Å; M18-L22 HydrophobicContact SD-CD1 3.58Å; M18-L22 VanDerWaalsContact SD-CD1 3.58Å; M18-L22 HydrophobicContact SD-CG 3.91Å; R19-L22 CarbonylContact O-C 3.46Å; R19-L22 PolarHBondContact O-N 2.72Å; K20-L22 PolarHBondContact O-N 3.01Å; L22-D24 VanDerWaalsContact C-N 3.29Å; L22-D24 PolarHBondContact O-N 3.23Å; L22-K25 HydrophobicContact CB-CB 4.06Å; L22-K25 HydrophobicContact CD2-CB 4.19Å; L22-K25 WeakPolarHBondContact O-CB 3.27Å; L22-K25 PolarHBondContact O-N 2.95Å; L22-K25 VanDerWaalsContact O-N 3.17Å; L22-Y37 HydrophobicContact CD2-CG 4.46Å; L22-V48 HydrophobicContact CD2-CB 4.17Å; L22-V48 HydrophobicContact CD2-CG2 3.86Å; L22-V48 HydrophobicContact CG-CG2 4.47Å; L22-F50 HydrophobicContact CD1-CE2 3.52Å; L22-F50 HydrophobicContact CD1-CZ 3.65Å |
| 23 | E | 85.5 | Confident | 86.1 | Confident | 157 Ų | 157 | 77 Ų | 77 | 73% | 0.734 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -45.9 | 179 | -171.6 | 166.4 | -166.2 | 0 | 0 | 110.4 | R19 K20 | R19-E23 PolarHBondContact O-N 2.7Å; R19-E23 VanDerWaalsContact O-N 3.1Å; K20-E23 WeakPolarHBondContact O-CB 3.41Å; K20-E23 PolarHBondContact O-N 3.16Å |
| 24 | D | 77.6 | Confident | 86 | Confident | 127 Ų | 127 | 77.4 Ų | 77.4 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 47.8 | 172.1 | -63.5 | -43.4 | 0 | 0 | 0 | 111.7 | L22 F26 | L22-D24 VanDerWaalsContact C-N 3.29Å; L22-D24 PolarHBondContact O-N 3.23Å; D24-F26 WeakPolarHBondContact O-CD2 3.33Å; D24-F26 WeakPolarHBondContact O-CE2 3.43Å; D24-F26 PolarHBondContact O-N 2.86Å |
| 25 | K | 76.1 | Confident | 86 | Confident | 132 Ų | 132 | 75 Ų | 75 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | trans | -59.9 | 135.1 | -176.2 | 64.2 | -178.8 | -176.4 | 178.5 | 0 | 112.4 | L22 | L22-K25 HydrophobicContact CB-CB 4.06Å; L22-K25 HydrophobicContact CD2-CB 4.19Å; L22-K25 WeakPolarHBondContact O-CB 3.27Å; L22-K25 PolarHBondContact O-N 2.95Å; L22-K25 VanDerWaalsContact O-N 3.17Å | ||
| 26 | F | 83.2 | Confident | 86.2 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 38% | 0.377 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132 | 163.8 | -68.6 | -90.9 | 0 | 0 | 0 | 109.1 | D24 L28 Y37 L38 K305 | D24-F26 WeakPolarHBondContact O-CD2 3.33Å; D24-F26 WeakPolarHBondContact O-CE2 3.43Å; D24-F26 PolarHBondContact O-N 2.86Å; F26-L28 PolarHBondContact O-N 3.44Å; F26-Y37 CarbonylContact O-C 3.31Å; F26-Y37 VanDerWaalsContact O-CA 3.25Å; F26-Y37 WeakPolarHBondContact O-CA 3.12Å; F26-L38 HydrophobicContact CB-CB 4.19Å; F26-L38 PolarHBondContact N-O 3.1Å; F26-L38 PolarHBondContact O-N 2.94Å; F26-K305 WeakPolarHBondContact CD1-O 3.07Å; F26-K305 WeakPolarHBondContact CE1-O 3.18Å |
| 27 | T | 87.4 | Confident | 86.4 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 114.9 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | Y37 | T27-Y37 HydrophobicContact CG2-CE1 4.4Å |
| 28 | L | 85.2 | Confident | 86.6 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -40.7 | 175.8 | -65.9 | 175 | 0 | 0 | 0 | 111.3 | F26 V36 L38 V47 Y95 | F26-L28 PolarHBondContact O-N 3.44Å; L28-V36 HydrophobicContact CB-CB 4.46Å; L28-V36 HydrophobicContact CB-CG1 4.24Å; L28-V36 HydrophobicContact CD1-CG1 4.34Å; L28-V36 PolarHBondContact N-O 3.1Å; L28-L38 HydrophobicContact CD1-CB 4.05Å; L28-L38 HydrophobicContact CD2-CB 4.14Å; L28-L38 HydrophobicContact CG-CB 4.03Å; L28-V47 HydrophobicContact CD1-CG2 4.09Å; L28-Y95 HydrophobicContact CD1-CE2 4.45Å |
| 29 | A | 84.4 | Confident | 86.6 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 148.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V36 | A29-V36 HydrophobicContact CB-CB 4.25Å; A29-V36 HydrophobicContact CB-CG2 4.39Å; A29-V36 PolarHBondContact N-O 2.76Å; A29-V36 PolarHBondContact O-N 3.11Å |
| 30 | T | 85.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 61 Ų | 61 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.5 | 165.5 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | N35 | T30-N35 WeakPolarHBondContact CB-OD1 3.37Å; T30-N35 WeakPolarHBondContact CG2-OD1 3.4Å; T30-N35 PolarHBondContact OG1-OD1 3.26Å |
| 31 | T | 80.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | trans | -114 | 176.5 | 177.5 | 69.1 | 0 | 0 | 0 | 0 | 110 | F33 S34 H52 | T31-F33 PolarHBondContact O-N 3.45Å; T31-F33 PolarHBondContact OG1-N 3.16Å; T31-S34 PolarHBondContact N-O 3.25Å; T31-S34 PolarHBondContact OG1-N 2.88Å; T31-S34 PolarHBondContact OG1-O 2.82Å; T31-S34 PolarHBondContact OG1-OG 2.78Å; T31-H52 PolarHBondContact O-CE1 3.17Å; T31-H52 VanDerWaalsContact O-CE1 3.27Å | ||
| 32 | S | 78.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 51% | 0.51 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63.5 | -17.1 | 171.5 | 45 | 0 | 0 | 0 | 0 | 113.8 | H52 | S32-H52 PolarHBondContact O-ND1 2.58Š|
| 33 | F | 81.8 | Confident | 86.5 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -112.5 | -33.2 | -170.3 | -53.5 | -70.1 | 0 | 0 | 0 | 114 | T31 H52 H55 F178 | T31-F33 PolarHBondContact O-N 3.45Å; T31-F33 PolarHBondContact OG1-N 3.16Å; F33-H52 PolarHBondContact O-N 2.85Å; F33-H55 AromaticContact CD1-CD2 3.71Å; F33-H55 AromaticContact CD1-CE1 3.72Å; F33-H55 AromaticContact CD1-NE2 3.49Å; F33-H55 WeakPolarHBondContact CD1-NE2 3.32Å; F33-H55 AromaticContact CE1-NE2 3.98Å; F33-F178 HydrophobicContact CD1-CE1 4.28Å; F33-F178 AromaticContact CE1-CD1 3.61Å; F33-F178 HydrophobicContact CE1-CD1 3.61Å; F33-F178 AromaticContact CE1-CE1 3.19Å; F33-F178 HydrophobicContact CE1-CE1 3.19Å; F33-F178 AromaticContact CE1-CZ 3.87Å; F33-F178 HydrophobicContact CE1-CZ 3.87Å; F33-F178 AromaticContact CE2-CD1 3.99Å; F33-F178 HydrophobicContact CE2-CD1 3.99Å; F33-F178 HydrophobicContact CE2-CE1 4.41Å; F33-F178 AromaticContact CZ-CD1 3.21Å; F33-F178 HydrophobicContact CZ-CD1 3.21Å; F33-F178 AromaticContact CZ-CE1 3.28Å; F33-F178 HydrophobicContact CZ-CE1 3.28Å; F33-F178 HydrophobicContact CZ-CG 4.24Å; F33-F178 HydrophobicContact CZ-CZ 4.34Å |
| 34 | S | 88.1 | Confident | 86.8 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 156.6 | -170.3 | 61 | 0 | 0 | 0 | 0 | 112.8 | T31 F50 | T31-S34 PolarHBondContact N-O 3.25Å; T31-S34 PolarHBondContact OG1-N 2.88Å; T31-S34 PolarHBondContact OG1-O 2.82Å; T31-S34 PolarHBondContact OG1-OG 2.78Å; S34-F50 CarbonylContact C-O 3.36Å; S34-F50 WeakPolarHBondContact CA-O 3.42Å; S34-F50 WeakPolarHBondContact CB-O 3.4Å |
| 35 | N | 91.6 | Very high | 87.5 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.8 | 163.9 | -64.4 | -60.8 | 0 | 0 | 0 | 109 | T30 Y37 F50 H52 | T30-N35 WeakPolarHBondContact CB-OD1 3.37Å; T30-N35 WeakPolarHBondContact CG2-OD1 3.4Å; T30-N35 PolarHBondContact OG1-OD1 3.26Å; N35-Y37 HydrophobicContact CB-CD2 4.43Å; N35-Y37 HydrophobicContact CB-CE2 3.49Å; N35-Y37 VanDerWaalsContact CB-CE2 3.49Å; N35-Y37 WeakPolarHBondContact CB-OH 3.32Å; N35-F50 PolarHBondContact N-O 2.9Å; N35-F50 PolarHBondContact O-N 3.4Å; N35-H52 PolarHBondContact ND2-NE2 3.48Å |
| 36 | V | 92.2 | Very high | 88.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.4 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 108 | L28 A29 V47 V48 K49 | L28-V36 HydrophobicContact CB-CB 4.46Å; L28-V36 HydrophobicContact CB-CG1 4.24Å; L28-V36 HydrophobicContact CD1-CG1 4.34Å; L28-V36 PolarHBondContact N-O 3.1Å; A29-V36 HydrophobicContact CB-CB 4.25Å; A29-V36 HydrophobicContact CB-CG2 4.39Å; A29-V36 PolarHBondContact N-O 2.76Å; A29-V36 PolarHBondContact O-N 3.11Å; V36-V47 HydrophobicContact CG1-CG1 3.34Å; V36-V48 WeakPolarHBondContact CA-O 3.44Å; V36-K49 HydrophobicContact CG2-CG 4.25Å |
| 37 | Y | 93 | Very high | 89 | Confident | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.4 | -178.1 | -54.4 | -84.5 | 0 | 0 | 0 | 111 | L22 F26 T27 N35 V47 V48 F50 | L22-Y37 HydrophobicContact CD2-CG 4.46Å; F26-Y37 CarbonylContact O-C 3.31Å; F26-Y37 VanDerWaalsContact O-CA 3.25Å; F26-Y37 WeakPolarHBondContact O-CA 3.12Å; T27-Y37 HydrophobicContact CG2-CE1 4.4Å; N35-Y37 HydrophobicContact CB-CD2 4.43Å; N35-Y37 HydrophobicContact CB-CE2 3.49Å; N35-Y37 VanDerWaalsContact CB-CE2 3.49Å; N35-Y37 WeakPolarHBondContact CB-OH 3.32Å; Y37-V47 CarbonylContact O-C 3.49Å; Y37-V47 WeakPolarHBondContact O-CA 3.39Å; Y37-V48 PolarHBondContact N-O 2.97Å; Y37-V48 PolarHBondContact O-N 3.09Å; Y37-F50 AromaticContact CD2-CD2 3.52Å; Y37-F50 HydrophobicContact CD2-CD2 3.52Å; Y37-F50 AromaticContact CD2-CE2 3.78Å; Y37-F50 HydrophobicContact CD2-CE2 3.78Å; Y37-F50 AromaticContact CE2-CD2 3.49Å; Y37-F50 HydrophobicContact CE2-CD2 3.49Å; Y37-F50 VanDerWaalsContact CE2-CD2 3.49Å; Y37-F50 AromaticContact CE2-CE2 3.98Å; Y37-F50 HydrophobicContact CE2-CE2 3.98Å; Y37-F50 HydrophobicContact CE2-CG 4.3Å |
| 38 | L | 92.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.7 | 160.9 | -175.2 | 65.2 | 0 | 0 | 0 | 108.3 | F26 L28 N45 Y95 | F26-L38 HydrophobicContact CB-CB 4.19Å; F26-L38 PolarHBondContact N-O 3.1Å; F26-L38 PolarHBondContact O-N 2.94Å; L28-L38 HydrophobicContact CD1-CB 4.05Å; L28-L38 HydrophobicContact CD2-CB 4.14Å; L28-L38 HydrophobicContact CG-CB 4.03Å; L38-N45 HydrophobicContact CD1-CB 4Å; L38-Y95 HydrophobicContact CD1-CD2 3.68Å; L38-Y95 HydrophobicContact CD1-CE2 3.86Å; L38-Y95 HydrophobicContact CD1-CG 4.04Å |
| 39 | G | 93.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 179.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I21 N45 V46 | I21-G39 CarbonylContact O-C 3.52Å; I21-G39 WeakPolarHBondContact O-CA 3.13Å; G39-N45 WeakPolarHBondContact O-CA 3.14Å; G39-V46 PolarHBondContact N-O 2.98Å; G39-V46 PolarHBondContact O-N 3.29Å |
| 40 | V | 92.5 | Very high | 90.1 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.3 | 178.4 | -178 | 0 | 0 | 0 | 0 | 110 | I21 K44 | I21-V40 WeakPolarHBondContact CA-O 3.32Å; I21-V40 PolarHBondContact O-N 3.2Å; V40-K44 CarbonylContact C-O 3.49Å; V40-K44 WeakPolarHBondContact CA-O 3.47Å |
| 41 | W | 90.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.9 | 174.8 | 178.8 | -80.6 | 0 | 0 | 0 | 109.2 | T11 V13 L17 I21 G43 K44 V46 I92 | T11-W41 HydrophobicContact CG2-CH2 3.7Å; T11-W41 HydrophobicContact CG2-CZ2 3.75Å; V13-W41 HydrophobicContact CB-CZ3 4.48Å; V13-W41 HydrophobicContact CG1-CZ3 4.12Å; V13-W41 HydrophobicContact CG2-CH2 3.64Å; V13-W41 HydrophobicContact CG2-CZ3 3.51Å; L17-W41 HydrophobicContact CD1-CZ3 4.31Å; L17-W41 HydrophobicContact CD2-CH2 3.37Å; L17-W41 HydrophobicContact CD2-CZ3 3.44Å; L17-W41 VanDerWaalsContact CD2-CZ3 3.44Å; L17-W41 HydrophobicContact CG-CH2 4.16Å; L17-W41 HydrophobicContact CG-CZ3 3.7Å; I21-W41 HydrophobicContact CD1-CE3 3.32Å; I21-W41 HydrophobicContact CD1-CZ3 3.58Å; I21-W41 HydrophobicContact CG1-CE3 3.68Å; I21-W41 HydrophobicContact CG1-CZ3 4.24Å; W41-G43 PolarHBondContact O-N 3.47Å; W41-G43 VanDerWaalsContact O-N 3.13Å; W41-K44 PolarHBondContact N-O 2.99Å; W41-K44 PolarHBondContact O-N 3.18Å; W41-V46 HydrophobicContact CB-CG1 3.72Å; W41-V46 HydrophobicContact CB-CG2 3.98Å; W41-I92 HydrophobicContact CE3-CD1 4.49Å; W41-I92 HydrophobicContact CZ3-CD1 4.48Å |
| 42 | E | 89.2 | Confident | 90.5 | Very high | 168 Ų | 168 | 46.9 Ų | 46.9 | 79% | 0.785 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 40.2 | 179.5 | -65.7 | 173.5 | 176.5 | 0 | 0 | 113.2 | K44 | E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 3.01Å |
| 43 | G | 88.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 6.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W41 | W41-G43 PolarHBondContact O-N 3.47Å; W41-G43 VanDerWaalsContact O-N 3.13Å |
| 44 | K | 91.4 | Very high | 90.9 | Very high | 158 Ų | 158 | 53.9 Ų | 53.9 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145 | 176.2 | -63.6 | 179.3 | -177.7 | 173.9 | 0 | 111.1 | V40 W41 E42 | V40-K44 CarbonylContact C-O 3.49Å; V40-K44 WeakPolarHBondContact CA-O 3.47Å; W41-K44 PolarHBondContact N-O 2.99Å; W41-K44 PolarHBondContact O-N 3.18Å; E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 3.01Å |
| 45 | N | 93.3 | Very high | 90.6 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 136.8 | 171.7 | -71 | -16 | 0 | 0 | 0 | 110.4 | L38 G39 Y95 | L38-N45 HydrophobicContact CD1-CB 4Å; G39-N45 WeakPolarHBondContact O-CA 3.14Å; N45-Y95 HydrophobicContact CB-CD1 3.7Å; N45-Y95 HydrophobicContact CB-CE1 4.5Å; N45-Y95 HydrophobicContact CB-CG 3.94Å; N45-Y95 WeakPolarHBondContact O-CB 3.05Å |
| 46 | V | 94.2 | Very high | 90 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 157.1 | 176 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | I21 G39 W41 V48 I78 I92 L93 | I21-V46 HydrophobicContact CG2-CG2 3.89Å; G39-V46 PolarHBondContact N-O 2.98Å; G39-V46 PolarHBondContact O-N 3.29Å; W41-V46 HydrophobicContact CB-CG1 3.72Å; W41-V46 HydrophobicContact CB-CG2 3.98Å; V46-V48 HydrophobicContact CG2-CG2 4.43Å; V46-I78 HydrophobicContact CB-CD1 4.39Å; V46-I78 HydrophobicContact CG1-CD1 3.5Å; V46-I92 HydrophobicContact CB-CG2 3.81Å; V46-I92 HydrophobicContact CG1-CG2 4.2Å; V46-I92 HydrophobicContact CG2-CG2 3.88Å; V46-L93 WeakPolarHBondContact CA-O 3.42Å |
| 47 | V | 94.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.2 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | L28 V36 Y37 I92 L93 Y95 | L28-V47 HydrophobicContact CD1-CG2 4.09Å; V36-V47 HydrophobicContact CG1-CG1 3.34Å; Y37-V47 CarbonylContact O-C 3.49Å; Y37-V47 WeakPolarHBondContact O-CA 3.39Å; V47-I92 CarbonylContact O-C 3.58Å; V47-I92 WeakPolarHBondContact O-CA 3.01Å; V47-L93 HydrophobicContact CB-CB 4.34Å; V47-L93 PolarHBondContact N-O 2.72Å; V47-L93 PolarHBondContact O-N 3.2Å; V47-Y95 HydrophobicContact CG2-CD2 3.78Å |
| 48 | V | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.4 | 173.1 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | M18 I21 L22 V36 Y37 V46 F50 F90 L91 I92 | M18-V48 HydrophobicContact CE-CG1 4.08Å; M18-V48 HydrophobicContact SD-CG1 3.74Å; M18-V48 HydrophobicContact SD-CG2 4.31Å; I21-V48 HydrophobicContact CG2-CG2 3.82Å; L22-V48 HydrophobicContact CD2-CB 4.17Å; L22-V48 HydrophobicContact CD2-CG2 3.86Å; L22-V48 HydrophobicContact CG-CG2 4.47Å; V36-V48 WeakPolarHBondContact CA-O 3.44Å; Y37-V48 PolarHBondContact N-O 2.97Å; Y37-V48 PolarHBondContact O-N 3.09Å; V46-V48 HydrophobicContact CG2-CG2 4.43Å; V48-F50 HydrophobicContact CB-CE2 4.1Å; V48-F50 HydrophobicContact CG1-CD2 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.26Å; V48-F50 HydrophobicContact CG1-CZ 3.85Å; V48-F90 HydrophobicContact CG1-CB 4.2Å; V48-F90 HydrophobicContact CG1-CD2 4.42Å; V48-F90 HydrophobicContact CG1-CG 4.44Å; V48-L91 CarbonylContact C-O 3.55Å; V48-L91 WeakPolarHBondContact CA-O 3.06Å; V48-I92 HydrophobicContact CG2-CG1 4.47Å |
| 49 | K | 93.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 105.3 | 178.5 | -173.5 | -170.4 | -169.4 | -172.5 | 0 | 109 | V36 L51 E62 F90 L91 D163 | V36-K49 HydrophobicContact CG2-CG 4.25Å; K49-L51 HydrophobicContact CD-CD1 4.05Å; K49-L51 HydrophobicContact CG-CD1 3.89Å; K49-E62 IonicContact NZ-OE1 2.8Å; K49-E62 PolarHBondContact NZ-OE1 3.46Å; K49-E62 IonicContact NZ-OE2 2.6Å; K49-E62 PolarHBondContact NZ-OE2 3.28Å; K49-F90 CarbonylContact O-C 3.59Å; K49-F90 WeakPolarHBondContact O-CA 3.35Å; K49-F90 WeakPolarHBondContact O-CB 3.47Å; K49-L91 PolarHBondContact N-O 2.81Å; K49-L91 PolarHBondContact O-N 2.72Å; K49-D163 IonicContact NZ-OD1 3.04Å; K49-D163 PolarHBondContact NZ-OD1 3.46Å |
| 50 | F | 92 | Very high | 87.8 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.4 | 172.4 | -73 | -96.4 | 0 | 0 | 0 | 110.4 | M18 L22 S34 N35 Y37 V48 F90 | M18-F50 HydrophobicContact CG-CE1 4.41Å; M18-F50 HydrophobicContact CG-CZ 3.78Å; M18-F50 HydrophobicContact SD-CE2 4.38Å; M18-F50 HydrophobicContact SD-CZ 3.83Å; L22-F50 HydrophobicContact CD1-CE2 3.52Å; L22-F50 HydrophobicContact CD1-CZ 3.65Å; S34-F50 CarbonylContact C-O 3.36Å; S34-F50 WeakPolarHBondContact CA-O 3.42Å; S34-F50 WeakPolarHBondContact CB-O 3.4Å; N35-F50 PolarHBondContact N-O 2.9Å; N35-F50 PolarHBondContact O-N 3.4Å; Y37-F50 AromaticContact CD2-CD2 3.52Å; Y37-F50 HydrophobicContact CD2-CD2 3.52Å; Y37-F50 AromaticContact CD2-CE2 3.78Å; Y37-F50 HydrophobicContact CD2-CE2 3.78Å; Y37-F50 AromaticContact CE2-CD2 3.49Å; Y37-F50 HydrophobicContact CE2-CD2 3.49Å; Y37-F50 VanDerWaalsContact CE2-CD2 3.49Å; Y37-F50 AromaticContact CE2-CE2 3.98Å; Y37-F50 HydrophobicContact CE2-CE2 3.98Å; Y37-F50 HydrophobicContact CE2-CG 4.3Å; V48-F50 HydrophobicContact CB-CE2 4.1Å; V48-F50 HydrophobicContact CG1-CD2 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.26Å; V48-F50 HydrophobicContact CG1-CZ 3.85Å; F50-F90 HydrophobicContact CD1-CB 3.71Å; F50-F90 HydrophobicContact CD1-CD1 4.05Å; F50-F90 HydrophobicContact CD1-CG 4.29Å; F50-F90 HydrophobicContact CD2-CB 4.35Å; F50-F90 HydrophobicContact CE1-CB 3.85Å; F50-F90 AromaticContact CE1-CD1 3.51Å; F50-F90 HydrophobicContact CE1-CD1 3.51Å; F50-F90 HydrophobicContact CE1-CE1 4.39Å; F50-F90 AromaticContact CE1-CG 3.95Å; F50-F90 HydrophobicContact CE1-CG 3.95Å; F50-F90 HydrophobicContact CE2-CB 4.5Å; F50-F90 HydrophobicContact CG-CB 3.98Å; F50-F90 HydrophobicContact CZ-CB 4.26Å; F50-F90 HydrophobicContact CZ-CD1 4.13Å; F50-F90 HydrophobicContact CZ-CG 4.3Å |
| 51 | L | 87.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.9 | 172.1 | -82.9 | 65.4 | 0 | 0 | 0 | 109.3 | K49 L58 A59 S89 | K49-L51 HydrophobicContact CD-CD1 4.05Å; K49-L51 HydrophobicContact CG-CD1 3.89Å; L51-L58 HydrophobicContact CD2-CB 3.97Å; L51-A59 HydrophobicContact CB-CB 4.16Å; L51-A59 HydrophobicContact CD1-CB 4.4Å; L51-A59 VanDerWaalsContact CD2-CA 3.46Å; L51-A59 HydrophobicContact CD2-CB 3.53Å; L51-A59 HydrophobicContact CG-CB 4.21Å; L51-S89 PolarHBondContact N-O 2.85Å |
| 52 | H | 87.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.8 | 174.7 | -61.3 | 162.3 | 0 | 0 | 0 | 109.8 | T31 S32 F33 N35 K54 H55 K56 | T31-H52 PolarHBondContact O-CE1 3.17Å; T31-H52 VanDerWaalsContact O-CE1 3.27Å; S32-H52 PolarHBondContact O-ND1 2.58Å; F33-H52 PolarHBondContact O-N 2.85Å; N35-H52 PolarHBondContact ND2-NE2 3.48Å; H52-K54 VanDerWaalsContact C-N 3.27Å; H52-K54 HydrophobicContact CB-CG 4.36Å; H52-K54 PolarHBondContact O-N 2.81Å; H52-K54 VanDerWaalsContact O-N 3.1Å; H52-H55 CarbonylContact O-C 3.45Å; H52-H55 WeakPolarHBondContact O-CA 3.44Å; H52-H55 WeakPolarHBondContact O-CB 3.4Å; H52-H55 PolarHBondContact O-N 3.23Å; H52-K56 PolarHBondContact O-N 2.92Å |
| 53 | E | 84.7 | Confident | 87.5 | Confident | 135 Ų | 135 | 52 Ų | 52 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -47.2 | -45.9 | -175.4 | -78.6 | -64.6 | 152 | 0 | 0 | 113.8 | H55 K56 | E53-H55 PolarHBondContact O-N 2.86Å; E53-K56 PolarHBondContact O-N 2.8Å; E53-K56 WeakPolarHBondContact OE1-CE 3.33Å; E53-K56 IonicContact OE1-NZ 3.39Å; E53-K56 PolarHBondContact OE1-NZ 2.8Å; E53-K56 VanDerWaalsContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CD 3.11Å; E53-K56 WeakPolarHBondContact OE2-CE 3.22Å; E53-K56 IonicContact OE2-NZ 2.58Å; E53-K56 PolarHBondContact OE2-NZ 2.78Å |
| 54 | K | 83.3 | Confident | 87.5 | Confident | 151 Ų | 151 | 51.3 Ų | 51.3 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -61.5 | -12.3 | 177.1 | 57.6 | 164.5 | 175.2 | 157.9 | 0 | 115.1 | H52 | H52-K54 VanDerWaalsContact C-N 3.27Å; H52-K54 HydrophobicContact CB-CG 4.36Å; H52-K54 PolarHBondContact O-N 2.81Å; H52-K54 VanDerWaalsContact O-N 3.1Å |
| 55 | H | 82.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -119.5 | 6.5 | -175.8 | -62.7 | -50.1 | 0 | 0 | 0 | 113 | F33 H52 E53 P57 L58 A59 | F33-H55 AromaticContact CD1-CD2 3.71Å; F33-H55 AromaticContact CD1-CE1 3.72Å; F33-H55 AromaticContact CD1-NE2 3.49Å; F33-H55 WeakPolarHBondContact CD1-NE2 3.32Å; F33-H55 AromaticContact CE1-NE2 3.98Å; H52-H55 CarbonylContact O-C 3.45Å; H52-H55 WeakPolarHBondContact O-CA 3.44Å; H52-H55 WeakPolarHBondContact O-CB 3.4Å; H52-H55 PolarHBondContact O-N 3.23Å; E53-H55 PolarHBondContact O-N 2.86Å; H55-P57 VanDerWaalsContact C-CD 3.4Å; H55-P57 VanDerWaalsContact C-N 3.31Å; H55-L58 HydrophobicContact CB-CD1 4.15Å; H55-L58 WeakPolarHBondContact O-CA 3.15Å; H55-L58 VanDerWaalsContact O-CB 3.26Å; H55-L58 WeakPolarHBondContact O-CB 3.42Å; H55-L58 PolarHBondContact O-N 2.83Å; H55-A59 PolarHBondContact O-N 2.89Å |
| 56 | K | 79.8 | Confident | 87.5 | Confident | 39 Ų | 39 | 41 Ų | 41 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49.5 | -39.4 | 174.9 | -83.1 | -177.4 | 171.2 | 173.9 | 0 | 115.2 | H52 E53 L58 A59 Q60 D87 | H52-K56 PolarHBondContact O-N 2.92Å; E53-K56 PolarHBondContact O-N 2.8Å; E53-K56 WeakPolarHBondContact OE1-CE 3.33Å; E53-K56 IonicContact OE1-NZ 3.39Å; E53-K56 PolarHBondContact OE1-NZ 2.8Å; E53-K56 VanDerWaalsContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CD 3.11Å; E53-K56 WeakPolarHBondContact OE2-CE 3.22Å; E53-K56 IonicContact OE2-NZ 2.58Å; E53-K56 PolarHBondContact OE2-NZ 2.78Å; K56-L58 PolarHBondContact O-N 3Å; K56-A59 WeakPolarHBondContact O-CA 3.49Å; K56-A59 WeakPolarHBondContact O-CB 3.37Å; K56-A59 PolarHBondContact O-N 2.6Å; K56-Q60 PolarHBondContact O-N 2.8Å; K56-D87 IonicContact NZ-OD1 3.66Å; K56-D87 PolarHBondContact NZ-OD1 3.29Å |
| 57 | P | 81.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 57% | 0.565 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.3 | -30 | 175.3 | -26.4 | 36.1 | 0 | 0 | 0 | 113.6 | H55 A59 Q60 K61 | H55-P57 VanDerWaalsContact C-CD 3.4Å; H55-P57 VanDerWaalsContact C-N 3.31Å; P57-A59 VanDerWaalsContact C-N 3.31Å; P57-Q60 PolarHBondContact O-N 2.67Å; P57-K61 PolarHBondContact O-N 2.76Å; P57-K61 VanDerWaalsContact O-N 3.14Å |
| 58 | L | 79 | Confident | 87.3 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.9 | -31.7 | 173.4 | -59.5 | 176.4 | 0 | 0 | 0 | 111.5 | L51 H55 K56 K61 E62 F178 | L51-L58 HydrophobicContact CD2-CB 3.97Å; H55-L58 HydrophobicContact CB-CD1 4.15Å; H55-L58 WeakPolarHBondContact O-CA 3.15Å; H55-L58 VanDerWaalsContact O-CB 3.26Å; H55-L58 WeakPolarHBondContact O-CB 3.42Å; H55-L58 PolarHBondContact O-N 2.83Å; K56-L58 PolarHBondContact O-N 3Å; L58-K61 PolarHBondContact O-N 3.04Å; L58-E62 WeakPolarHBondContact O-CB 3.43Å; L58-E62 PolarHBondContact O-N 2.9Å; L58-F178 HydrophobicContact CD1-CE2 4.31Å |
| 59 | A | 80 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L51 H55 K56 P57 K61 E62 L63 | L51-A59 HydrophobicContact CB-CB 4.16Å; L51-A59 HydrophobicContact CD1-CB 4.4Å; L51-A59 VanDerWaalsContact CD2-CA 3.46Å; L51-A59 HydrophobicContact CD2-CB 3.53Å; L51-A59 HydrophobicContact CG-CB 4.21Å; H55-A59 PolarHBondContact O-N 2.89Å; K56-A59 WeakPolarHBondContact O-CA 3.49Å; K56-A59 WeakPolarHBondContact O-CB 3.37Å; K56-A59 PolarHBondContact O-N 2.6Å; P57-A59 VanDerWaalsContact C-N 3.31Å; A59-K61 VanDerWaalsContact C-N 3.35Å; A59-E62 PolarHBondContact O-N 3.45Å; A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 PolarHBondContact O-N 3.36Å |
| 60 | Q | 83.7 | Confident | 87.3 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.3 | -69.7 | 175.2 | -19.4 | 0 | 0 | 111.9 | K56 P57 S64 P85 S86 C88 | K56-Q60 PolarHBondContact O-N 2.8Å; P57-Q60 PolarHBondContact O-N 2.67Å; Q60-S64 WeakPolarHBondContact O-CB 3.15Å; Q60-S64 PolarHBondContact O-N 3.14Å; Q60-S64 PolarHBondContact O-OG 2.9Å; Q60-P85 PolarHBondContact NE2-O 3.21Å; Q60-P85 VanDerWaalsContact NE2-O 3.09Å; Q60-S86 PolarHBondContact NE2-O 3Å; Q60-C88 HydrophobicContact CG-CB 4.29Å |
| 61 | K | 85.5 | Confident | 87.6 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 27% | 0.274 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 173.8 | -171.6 | -172.7 | -171.8 | -174.8 | 0 | 111.6 | P57 L58 A59 L63 S64 L65 S167 D173 | P57-K61 PolarHBondContact O-N 2.76Å; P57-K61 VanDerWaalsContact O-N 3.14Å; L58-K61 PolarHBondContact O-N 3.04Å; A59-K61 VanDerWaalsContact C-N 3.35Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.46Å; K61-S64 PolarHBondContact O-N 3.44Å; K61-S64 PolarHBondContact O-OG 3.2Å; K61-L65 HydrophobicContact CG-CD1 4.48Å; K61-L65 WeakPolarHBondContact O-CG 3.04Å; K61-L65 PolarHBondContact O-N 3.2Å; K61-L65 VanDerWaalsContact O-N 3.13Å; K61-S167 WeakPolarHBondContact CE-O 3.47Å; K61-S167 PolarHBondContact NZ-O 3.24Å; K61-D173 IonicContact NZ-OD2 2.67Å; K61-D173 PolarHBondContact NZ-OD2 3.46Å |
| 62 | E | 89.3 | Confident | 88 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 179.3 | -172.4 | 173.1 | -178.5 | 0 | 0 | 110.4 | K49 L58 A59 L65 I66 L91 F164 | K49-E62 IonicContact NZ-OE1 2.8Å; K49-E62 PolarHBondContact NZ-OE1 3.46Å; K49-E62 IonicContact NZ-OE2 2.6Å; K49-E62 PolarHBondContact NZ-OE2 3.28Å; L58-E62 WeakPolarHBondContact O-CB 3.43Å; L58-E62 PolarHBondContact O-N 2.9Å; A59-E62 PolarHBondContact O-N 3.45Å; E62-L65 PolarHBondContact O-N 2.81Å; E62-I66 WeakPolarHBondContact O-CB 3.26Å; E62-I66 WeakPolarHBondContact O-CG2 3.15Å; E62-I66 PolarHBondContact O-N 2.9Å; E62-L91 HydrophobicContact CB-CD1 4.19Å; E62-L91 HydrophobicContact CG-CD1 3.7Å; E62-F164 HydrophobicContact CG-CB 4.06Å; E62-F164 PolarHBondContact OE1-N 3.4Å |
| 63 | L | 90.7 | Very high | 88.6 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 174.9 | 179 | 59.8 | 0 | 0 | 0 | 111.7 | L10 A59 K61 L65 I66 S67 L77 A80 L84 C88 L91 | L10-L63 HydrophobicContact CD1-CD1 4.43Å; L10-L63 HydrophobicContact CD2-CD1 3.74Å; L10-L63 HydrophobicContact CD2-CD2 4.33Å; L10-L63 HydrophobicContact CD2-CG 4.4Å; A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 PolarHBondContact O-N 3.36Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.46Å; L63-L65 PolarHBondContact O-N 2.82Å; L63-I66 PolarHBondContact O-N 3.34Å; L63-S67 WeakPolarHBondContact O-CB 3.27Å; L63-S67 PolarHBondContact O-N 3.13Å; L63-S67 PolarHBondContact O-OG 3.38Å; L63-L77 HydrophobicContact CD1-CD2 3.54Å; L63-A80 HydrophobicContact CD1-CB 3.7Å; L63-A80 HydrophobicContact CD2-CB 4.13Å; L63-L84 HydrophobicContact CD2-CD2 3.66Å; L63-C88 HydrophobicContact CD2-CB 4.1Å; L63-L91 HydrophobicContact CB-CD2 3.95Å; L63-L91 HydrophobicContact CD1-CD2 3.83Å; L63-L91 HydrophobicContact CG-CD2 4.42Å |
| 64 | S | 89.1 | Confident | 89.2 | Confident | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.1 | -31.1 | -175.6 | 72 | 0 | 0 | 0 | 0 | 112.1 | Q60 K61 S67 Q68 | Q60-S64 WeakPolarHBondContact O-CB 3.15Å; Q60-S64 PolarHBondContact O-N 3.14Å; Q60-S64 PolarHBondContact O-OG 2.9Å; K61-S64 PolarHBondContact O-N 3.44Å; K61-S64 PolarHBondContact O-OG 3.2Å; S64-S67 PolarHBondContact O-OG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3Å; S64-Q68 PolarHBondContact O-NE2 3.25Å |
| 65 | L | 91.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76 | -60.7 | 173.9 | -67.5 | 177 | 0 | 0 | 0 | 111.2 | K61 E62 L63 S67 Q68 F69 V140 T169 | K61-L65 HydrophobicContact CG-CD1 4.48Å; K61-L65 WeakPolarHBondContact O-CG 3.04Å; K61-L65 PolarHBondContact O-N 3.2Å; K61-L65 VanDerWaalsContact O-N 3.13Å; E62-L65 PolarHBondContact O-N 2.81Å; L63-L65 PolarHBondContact O-N 2.82Å; L65-S67 PolarHBondContact O-N 2.95Å; L65-Q68 WeakPolarHBondContact O-CB 3.27Å; L65-Q68 PolarHBondContact O-N 2.92Å; L65-F69 HydrophobicContact CB-CE2 4.08Å; L65-F69 HydrophobicContact CB-CZ 3.82Å; L65-F69 WeakPolarHBondContact O-CE1 3.38Å; L65-F69 WeakPolarHBondContact O-CZ 3.21Å; L65-V140 HydrophobicContact CD2-CG2 4.18Å; L65-T169 HydrophobicContact CD2-CG2 3.68Å |
| 66 | I | 93.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -24.9 | -169.2 | -159.8 | 178.7 | 0 | 0 | 0 | 113 | E62 L63 Q68 F69 I75 L77 L93 F164 | E62-I66 WeakPolarHBondContact O-CB 3.26Å; E62-I66 WeakPolarHBondContact O-CG2 3.15Å; E62-I66 PolarHBondContact O-N 2.9Å; L63-I66 PolarHBondContact O-N 3.34Å; I66-Q68 PolarHBondContact O-N 2.84Å; I66-F69 HydrophobicContact CB-CD2 4.38Å; I66-F69 HydrophobicContact CG1-CD2 4.25Å; I66-F69 PolarHBondContact O-N 3.33Å; I66-I75 HydrophobicContact CD1-CG2 3.79Å; I66-L77 HydrophobicContact CG1-CB 4.44Å; I66-L77 HydrophobicContact CG2-CB 4.19Å; I66-L77 HydrophobicContact CG2-CD1 4.21Å; I66-L77 HydrophobicContact CG2-CD2 3.87Å; I66-L77 HydrophobicContact CG2-CG 4.31Å; I66-L93 HydrophobicContact CD1-CD2 3.84Å; I66-F164 HydrophobicContact CB-CD2 4.47Å; I66-F164 HydrophobicContact CD1-CD2 3.8Å; I66-F164 HydrophobicContact CD1-CE2 4.15Å; I66-F164 HydrophobicContact CG1-CD2 4.04Å; I66-F164 HydrophobicContact CG1-CE2 4.28Å |
| 67 | S | 92.4 | Very high | 91.3 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.8 | 174.3 | 67.2 | 0 | 0 | 0 | 0 | 114 | L63 S64 L65 | L63-S67 WeakPolarHBondContact O-CB 3.27Å; L63-S67 PolarHBondContact O-N 3.13Å; L63-S67 PolarHBondContact O-OG 3.38Å; S64-S67 PolarHBondContact O-OG 3.29Å; L65-S67 PolarHBondContact O-N 2.95Å |
| 68 | Q | 91.5 | Very high | 91.9 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 51% | 0.514 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.1 | -179.2 | -57.8 | -178.9 | 56.8 | 0 | 0 | 113 | S64 L65 I66 | S64-Q68 WeakPolarHBondContact O-CG 3Å; S64-Q68 PolarHBondContact O-NE2 3.25Å; L65-Q68 WeakPolarHBondContact O-CB 3.27Å; L65-Q68 PolarHBondContact O-N 2.92Å; I66-Q68 PolarHBondContact O-N 2.84Å |
| 69 | F | 94.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | trans | -87.7 | 131.3 | -171.5 | -55.7 | -26.8 | 0 | 0 | 0 | 111.9 | L65 I66 I74 Y131 L132 V140 F164 | L65-F69 HydrophobicContact CB-CE2 4.08Å; L65-F69 HydrophobicContact CB-CZ 3.82Å; L65-F69 WeakPolarHBondContact O-CE1 3.38Å; L65-F69 WeakPolarHBondContact O-CZ 3.21Å; I66-F69 HydrophobicContact CB-CD2 4.38Å; I66-F69 HydrophobicContact CG1-CD2 4.25Å; I66-F69 PolarHBondContact O-N 3.33Å; F69-I74 HydrophobicContact CB-CD1 4.32Å; F69-I74 HydrophobicContact CB-CG2 4.11Å; F69-I74 HydrophobicContact CD2-CG2 4.28Å; F69-Y131 HydrophobicContact CB-CE1 4.23Å; F69-Y131 HydrophobicContact CD1-CE1 4.21Å; F69-Y131 HydrophobicContact CG-CE1 4.45Å; F69-L132 HydrophobicContact CD1-CD2 3.97Å; F69-L132 HydrophobicContact CD2-CD2 3.97Å; F69-L132 HydrophobicContact CE1-CD2 3.76Å; F69-L132 HydrophobicContact CE2-CD2 3.77Å; F69-L132 HydrophobicContact CG-CD2 4.1Å; F69-L132 HydrophobicContact CZ-CD2 3.66Å; F69-V140 HydrophobicContact CE1-CG2 4Å; F69-V140 HydrophobicContact CZ-CB 4.34Å; F69-V140 HydrophobicContact CZ-CG1 4.04Å; F69-V140 HydrophobicContact CZ-CG2 3.93Å; F69-F164 HydrophobicContact CD2-CD1 4.22Å; F69-F164 AromaticContact CD2-CE1 3.84Å; F69-F164 HydrophobicContact CD2-CE1 3.84Å; F69-F164 HydrophobicContact CD2-CE2 4.46Å; F69-F164 AromaticContact CD2-CZ 3.99Å; F69-F164 HydrophobicContact CD2-CZ 3.99Å; F69-F164 AromaticContact CE2-CD1 3.52Å; F69-F164 HydrophobicContact CE2-CD1 3.52Å; F69-F164 AromaticContact CE2-CE1 3.48Å; F69-F164 HydrophobicContact CE2-CE1 3.48Å; F69-F164 VanDerWaalsContact CE2-CE1 3.48Å; F69-F164 HydrophobicContact CE2-CG 4.13Å; F69-F164 HydrophobicContact CE2-CZ 4.09Å; F69-F164 HydrophobicContact CZ-CD1 4.46Å; F69-F164 HydrophobicContact CZ-CE1 4.48Å | ||
| 70 | E | 93.8 | Very high | 93.3 | Very high | 123 Ų | 123 | 40.1 Ų | 40.1 | 58% | 0.575 | 20% | 0.2 | S | C | * | . | trans | -134.7 | 96.1 | 171.7 | -176.2 | 159.5 | -150.9 | 0 | 0 | 109.3 | K8 Y131 | K8-E70 VanDerWaalsContact CE-OE1 3.27Å; K8-E70 WeakPolarHBondContact CE-OE1 3.47Å; K8-E70 IonicContact NZ-OE1 2.66Å; K8-E70 PolarHBondContact NZ-OE1 3.3Å; E70-Y131 PolarHBondContact N-OH 2.83Å; E70-Y131 VanDerWaalsContact N-OH 3.1Å | ||
| 71 | H | 97.6 | Very high | 93.8 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | trans | -152.1 | 141.3 | -179.5 | -169.7 | -91.3 | 0 | 0 | 0 | 110.3 | N73 I74 Y131 | H71-N73 PolarHBondContact CE1-OD1 2.86Å; H71-N73 PolarHBondContact ND1-N 2.8Å; H71-N73 PolarHBondContact O-N 3.2Å; H71-I74 HydrophobicContact CB-CB 4.18Å; H71-I74 HydrophobicContact CB-CD1 3.86Å; H71-I74 HydrophobicContact CB-CG1 3.97Å; H71-I74 PolarHBondContact O-N 2.81Å; H71-I74 VanDerWaalsContact O-N 3.13Å; H71-Y131 HydrophobicContact CB-CD1 4.06Å; H71-Y131 HydrophobicContact CB-CE1 4.25Å; H71-Y131 HydrophobicContact CB-CG 4.23Å; H71-Y131 AromaticContact CD2-CG 3.84Å | ||
| 72 | E | 97.8 | Very high | 93.9 | Very high | 123 Ų | 123 | 34.1 Ų | 34.1 | 58% | 0.575 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.6 | -176.2 | 64 | 177.2 | 148.4 | 0 | 0 | 113.3 | K160 | E72-K160 VanDerWaalsContact O-CE 3.26Å; E72-K160 WeakPolarHBondContact O-CE 3.24Å |
| 73 | N | 98.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 21.9 | 179.3 | -54 | 124 | 0 | 0 | 0 | 113.6 | H71 Q124 A128 L158 V159 K160 L161 | H71-N73 PolarHBondContact CE1-OD1 2.86Å; H71-N73 PolarHBondContact ND1-N 2.8Å; H71-N73 PolarHBondContact O-N 3.2Å; N73-Q124 HydrophobicContact CB-CB 4.4Å; N73-Q124 WeakPolarHBondContact CB-O 3.45Å; N73-Q124 WeakPolarHBondContact ND2-CB 3.44Å; N73-Q124 WeakPolarHBondContact ND2-CG 3.44Å; N73-Q124 PolarHBondContact ND2-OE1 3.15Å; N73-Q124 PolarHBondContact OD1-O 3.21Å; N73-A128 HydrophobicContact CB-CB 3.85Å; N73-A128 WeakPolarHBondContact O-CB 3.16Å; N73-L158 WeakPolarHBondContact ND2-CD1 3.31Å; N73-V159 PolarHBondContact ND2-O 2.81Å; N73-K160 CarbonylContact O-C 3.53Å; N73-K160 WeakPolarHBondContact O-CA 3.32Å; N73-L161 PolarHBondContact O-N 2.8Å |
| 74 | I | 98.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 137.9 | 171.6 | -67.3 | 178.5 | 0 | 0 | 0 | 109 | F69 H71 H76 A128 Y131 L132 F164 | F69-I74 HydrophobicContact CB-CD1 4.32Å; F69-I74 HydrophobicContact CB-CG2 4.11Å; F69-I74 HydrophobicContact CD2-CG2 4.28Å; H71-I74 HydrophobicContact CB-CB 4.18Å; H71-I74 HydrophobicContact CB-CD1 3.86Å; H71-I74 HydrophobicContact CB-CG1 3.97Å; H71-I74 PolarHBondContact O-N 2.81Å; H71-I74 VanDerWaalsContact O-N 3.13Å; I74-H76 PolarHBondContact O-N 3.2Å; I74-A128 HydrophobicContact CG1-CB 3.98Å; I74-Y131 HydrophobicContact CD1-CD1 3.65Å; I74-Y131 HydrophobicContact CD1-CE1 3.96Å; I74-L132 HydrophobicContact CD1-CD1 4.41Å; I74-L132 HydrophobicContact CD1-CD2 3.83Å; I74-L132 HydrophobicContact CD1-CG 4Å; I74-F164 HydrophobicContact CD1-CZ 4.48Å; I74-F164 HydrophobicContact CG1-CZ 4.44Å; I74-F164 HydrophobicContact CG2-CE2 3.83Å; I74-F164 HydrophobicContact CG2-CZ 3.63Å |
| 75 | I | 97.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 133.3 | -179.4 | -162.8 | 69.5 | 0 | 0 | 0 | 111 | I66 L93 E94 L151 F153 K160 L161 F164 | I66-I75 HydrophobicContact CD1-CG2 3.79Å; I75-L93 HydrophobicContact CG1-CB 4.33Å; I75-E94 HydrophobicContact CD1-CG 3.31Å; I75-E94 HydrophobicContact CG1-CG 3.95Å; I75-L151 HydrophobicContact CB-CD1 4.4Å; I75-L151 HydrophobicContact CD1-CD1 3.68Å; I75-L151 HydrophobicContact CG1-CD1 4Å; I75-F153 HydrophobicContact CD1-CE2 4.03Å; I75-F153 HydrophobicContact CD1-CZ 3.59Å; I75-K160 HydrophobicContact CD1-CD 4.47Å; I75-L161 PolarHBondContact N-O 3.04Å; I75-F164 HydrophobicContact CG2-CE2 4.29Å |
| 76 | H | 95.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 126.9 | -176.3 | -175 | 52.9 | 0 | 0 | 0 | 112 | I74 L93 E94 | I74-H76 PolarHBondContact O-N 3.2Å; H76-L93 WeakPolarHBondContact O-CA 3.04Å; H76-E94 HydrophobicContact CB-CB 4.39Å; H76-E94 HydrophobicContact CB-CG 4.06Å; H76-E94 WeakPolarHBondContact CB-OE1 3.29Å; H76-E94 PolarHBondContact N-OE1 2.79Å; H76-E94 PolarHBondContact O-N 2.75Å |
| 77 | L | 95.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118 | 166.6 | -178.8 | 73.4 | 0 | 0 | 0 | 110.4 | L10 L63 I66 G79 L91 L93 | L10-L77 HydrophobicContact CD1-CD2 3.44Å; L10-L77 VanDerWaalsContact CD1-CD2 3.44Å; L10-L77 HydrophobicContact CD1-CG 3.92Å; L63-L77 HydrophobicContact CD1-CD2 3.54Å; I66-L77 HydrophobicContact CG1-CB 4.44Å; I66-L77 HydrophobicContact CG2-CB 4.19Å; I66-L77 HydrophobicContact CG2-CD1 4.21Å; I66-L77 HydrophobicContact CG2-CD2 3.87Å; I66-L77 HydrophobicContact CG2-CG 4.31Å; L77-G79 WeakPolarHBondContact CD1-O 3.42Å; L77-L91 HydrophobicContact CD1-CB 4.13Å; L77-L91 HydrophobicContact CD1-CD2 4.17Å; L77-L93 HydrophobicContact CB-CD2 4.28Å; L77-L93 HydrophobicContact CD1-CD2 3.81Å |
| 78 | I | 94.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -42.1 | 178.6 | -61.8 | 172.6 | 0 | 0 | 0 | 110.6 | T11 V46 I92 E94 | T11-I78 WeakPolarHBondContact CB-O 3.44Å; T11-I78 PolarHBondContact OG1-O 3.11Å; V46-I78 HydrophobicContact CB-CD1 4.39Å; V46-I78 HydrophobicContact CG1-CD1 3.5Å; I78-I92 HydrophobicContact CB-CG2 4.15Å; I78-I92 HydrophobicContact CG2-CG2 4.41Å; I78-I92 PolarHBondContact N-O 3.32Å; I78-E94 HydrophobicContact CD1-CB 4.27Å |
| 79 | G | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 171 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T11 L77 I92 | T11-G79 CarbonylContact O-C 3.57Å; T11-G79 WeakPolarHBondContact O-CA 3.47Å; L77-G79 WeakPolarHBondContact CD1-O 3.42Å; G79-I92 PolarHBondContact N-O 2.82Å; G79-I92 PolarHBondContact O-N 3.37Å |
| 80 | A | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 166 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L10 T11 V13 L63 L84 F90 L91 | L10-A80 HydrophobicContact CD1-CB 4.34Å; T11-A80 PolarHBondContact O-N 3.13Å; V13-A80 PolarHBondContact N-O 3.07Å; L63-A80 HydrophobicContact CD1-CB 3.7Å; L63-A80 HydrophobicContact CD2-CB 4.13Å; A80-L84 HydrophobicContact CB-CD1 4.24Å; A80-L84 HydrophobicContact CB-CD2 3.79Å; A80-F90 WeakPolarHBondContact CA-O 3.43Å; A80-L91 HydrophobicContact CB-CD2 3.96Å |
| 81 | G | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -168.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V13 C88 S89 F90 | V13-G81 WeakPolarHBondContact O-CA 3.44Å; G81-C88 CarbonylContact O-C 3.58Å; G81-C88 WeakPolarHBondContact O-CA 3.34Å; G81-S89 PolarHBondContact O-N 3.2Å; G81-F90 PolarHBondContact N-O 3.22Å; G81-F90 WeakPolarHBondContact O-CD1 3.36Å; G81-F90 PolarHBondContact O-N 3.46Å; G81-F90 VanDerWaalsContact O-N 3.11Å |
| 82 | P | 87.7 | Confident | 90.8 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -76.2 | -24.5 | 8.7 | 28.7 | -38.9 | 0 | 0 | 0 | 116.1 | V13 D87 S89 F90 | V13-P82 WeakPolarHBondContact O-CA 3.45Å; P82-D87 WeakPolarHBondContact CD-O 3.48Å; P82-D87 WeakPolarHBondContact CG-O 3.46Å; P82-S89 WeakPolarHBondContact CD-OG 3.36Å; P82-F90 HydrophobicContact CB-CE1 4.25Å |
| 83 | S | 83 | Confident | 90.7 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 43% | 0.427 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.5 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | D87 C88 | S83-D87 PolarHBondContact N-O 3.28Å; S83-D87 CarbonylContact O-C 3.04Å; S83-D87 WeakPolarHBondContact O-CA 3.25Å; S83-D87 PolarHBondContact O-N 3.29Å; S83-C88 PolarHBondContact O-N 3.07Å |
| 84 | L | 83.5 | Confident | 90.5 | Very high | 49 Ų | 49 | 29 Ų | 29 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 143.6 | -174.6 | -58 | -179.3 | 0 | 0 | 0 | 111.9 | L10 L63 A80 C88 | L10-L84 HydrophobicContact CD2-CD1 3.51Å; L10-L84 HydrophobicContact CG-CD1 3.81Å; L63-L84 HydrophobicContact CD2-CD2 3.66Å; A80-L84 HydrophobicContact CB-CD1 4.24Å; A80-L84 HydrophobicContact CB-CD2 3.79Å; L84-C88 HydrophobicContact CD2-CB 3.93Å |
| 85 | P | 73.2 | Confident | 90.3 | Very high | 101 Ų | 101 | 30.5 Ų | 30.5 | 66% | 0.656 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.3 | -9.3 | -11.5 | 34.2 | -34 | 0 | 0 | 0 | 113.5 | Q60 | Q60-P85 PolarHBondContact NE2-O 3.21Å; Q60-P85 VanDerWaalsContact NE2-O 3.09Å |
| 86 | S | 77 | Confident | 90.2 | Very high | 96 Ų | 96 | 30.6 Ų | 30.6 | 67% | 0.671 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25.7 | -162 | 44.8 | 0 | 0 | 0 | 0 | 116.3 | Q60 | Q60-S86 PolarHBondContact NE2-O 3Š|
| 87 | D | 83.6 | Confident | 90 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 35% | 0.353 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 56.5 | 178.3 | -173.8 | 38 | 0 | 0 | 0 | 109.5 | K56 P82 S83 | K56-D87 IonicContact NZ-OD1 3.66Å; K56-D87 PolarHBondContact NZ-OD1 3.29Å; P82-D87 WeakPolarHBondContact CD-O 3.48Å; P82-D87 WeakPolarHBondContact CG-O 3.46Å; S83-D87 PolarHBondContact N-O 3.28Å; S83-D87 CarbonylContact O-C 3.04Å; S83-D87 WeakPolarHBondContact O-CA 3.25Å; S83-D87 PolarHBondContact O-N 3.29Å |
| 88 | C | 88 | Confident | 89.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.3 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | Q60 L63 G81 S83 L84 F90 | Q60-C88 HydrophobicContact CG-CB 4.29Å; L63-C88 HydrophobicContact CD2-CB 4.1Å; G81-C88 CarbonylContact O-C 3.58Å; G81-C88 WeakPolarHBondContact O-CA 3.34Å; S83-C88 PolarHBondContact O-N 3.07Å; L84-C88 HydrophobicContact CD2-CB 3.93Å; C88-F90 PolarHBondContact SG-O 2.89Å |
| 89 | S | 89.4 | Confident | 89.8 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -16.1 | 176.2 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | L51 G81 P82 | L51-S89 PolarHBondContact N-O 2.85Å; G81-S89 PolarHBondContact O-N 3.2Å; P82-S89 WeakPolarHBondContact CD-OG 3.36Å |
| 90 | F | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.4 | 178.4 | 61.5 | -100.9 | 0 | 0 | 0 | 113.7 | V13 M18 V48 K49 F50 A80 G81 P82 C88 I92 | V13-F90 HydrophobicContact CB-CE2 4.05Å; V13-F90 HydrophobicContact CB-CZ 4.21Å; V13-F90 HydrophobicContact CG1-CE2 4.32Å; V13-F90 HydrophobicContact CG1-CZ 4.27Å; V13-F90 VanDerWaalsContact O-CZ 3.3Å; V13-F90 WeakPolarHBondContact O-CZ 3.4Å; M18-F90 HydrophobicContact CB-CE1 4.44Å; M18-F90 HydrophobicContact CB-CZ 4.32Å; M18-F90 HydrophobicContact CE-CD1 4.4Å; M18-F90 HydrophobicContact CE-CD2 3.53Å; M18-F90 HydrophobicContact CE-CE1 4.06Å; M18-F90 HydrophobicContact CE-CE2 3.17Å; M18-F90 HydrophobicContact CE-CG 4.16Å; M18-F90 HydrophobicContact CE-CZ 3.44Å; M18-F90 VanDerWaalsContact CE-CZ 3.44Å; M18-F90 HydrophobicContact CG-CE1 4.18Å; M18-F90 HydrophobicContact CG-CZ 4.32Å; V48-F90 HydrophobicContact CG1-CB 4.2Å; V48-F90 HydrophobicContact CG1-CD2 4.42Å; V48-F90 HydrophobicContact CG1-CG 4.44Å; K49-F90 CarbonylContact O-C 3.59Å; K49-F90 WeakPolarHBondContact O-CA 3.35Å; K49-F90 WeakPolarHBondContact O-CB 3.47Å; F50-F90 HydrophobicContact CD1-CB 3.71Å; F50-F90 HydrophobicContact CD1-CD1 4.05Å; F50-F90 HydrophobicContact CD1-CG 4.29Å; F50-F90 HydrophobicContact CD2-CB 4.35Å; F50-F90 HydrophobicContact CE1-CB 3.85Å; F50-F90 AromaticContact CE1-CD1 3.51Å; F50-F90 HydrophobicContact CE1-CD1 3.51Å; F50-F90 HydrophobicContact CE1-CE1 4.39Å; F50-F90 AromaticContact CE1-CG 3.95Å; F50-F90 HydrophobicContact CE1-CG 3.95Å; F50-F90 HydrophobicContact CE2-CB 4.5Å; F50-F90 HydrophobicContact CG-CB 3.98Å; F50-F90 HydrophobicContact CZ-CB 4.26Å; F50-F90 HydrophobicContact CZ-CD1 4.13Å; F50-F90 HydrophobicContact CZ-CG 4.3Å; A80-F90 WeakPolarHBondContact CA-O 3.43Å; G81-F90 PolarHBondContact N-O 3.22Å; G81-F90 WeakPolarHBondContact O-CD1 3.36Å; G81-F90 PolarHBondContact O-N 3.46Å; G81-F90 VanDerWaalsContact O-N 3.11Å; P82-F90 HydrophobicContact CB-CE1 4.25Å; C88-F90 PolarHBondContact SG-O 2.89Å; F90-I92 HydrophobicContact CD2-CG1 4.19Å; F90-I92 HydrophobicContact CE2-CD1 4.28Å; F90-I92 HydrophobicContact CE2-CG1 4.33Å |
| 91 | L | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.2 | 170.3 | -54.3 | 178.9 | 0 | 0 | 0 | 109.4 | V48 K49 E62 L63 L77 A80 | V48-L91 CarbonylContact C-O 3.55Å; V48-L91 WeakPolarHBondContact CA-O 3.06Å; K49-L91 PolarHBondContact N-O 2.81Å; K49-L91 PolarHBondContact O-N 2.72Å; E62-L91 HydrophobicContact CB-CD1 4.19Å; E62-L91 HydrophobicContact CG-CD1 3.7Å; L63-L91 HydrophobicContact CB-CD2 3.95Å; L63-L91 HydrophobicContact CD1-CD2 3.83Å; L63-L91 HydrophobicContact CG-CD2 4.42Å; L77-L91 HydrophobicContact CD1-CB 4.13Å; L77-L91 HydrophobicContact CD1-CD2 4.17Å; A80-L91 HydrophobicContact CB-CD2 3.96Å |
| 92 | I | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.7 | 172 | -53.2 | 168.7 | 0 | 0 | 0 | 107.4 | V13 M18 I21 W41 V46 V47 V48 I78 G79 F90 | V13-I92 HydrophobicContact CB-CD1 3.95Å; V13-I92 HydrophobicContact CG1-CD1 4.07Å; V13-I92 HydrophobicContact CG2-CD1 3.52Å; M18-I92 HydrophobicContact CE-CD1 3.71Å; M18-I92 HydrophobicContact CE-CG1 4Å; I21-I92 HydrophobicContact CD1-CD1 3.81Å; W41-I92 HydrophobicContact CE3-CD1 4.49Å; W41-I92 HydrophobicContact CZ3-CD1 4.48Å; V46-I92 HydrophobicContact CB-CG2 3.81Å; V46-I92 HydrophobicContact CG1-CG2 4.2Å; V46-I92 HydrophobicContact CG2-CG2 3.88Å; V47-I92 CarbonylContact O-C 3.58Å; V47-I92 WeakPolarHBondContact O-CA 3.01Å; V48-I92 HydrophobicContact CG2-CG1 4.47Å; I78-I92 HydrophobicContact CB-CG2 4.15Å; I78-I92 HydrophobicContact CG2-CG2 4.41Å; I78-I92 PolarHBondContact N-O 3.32Å; G79-I92 PolarHBondContact N-O 2.82Å; G79-I92 PolarHBondContact O-N 3.37Å; F90-I92 HydrophobicContact CD2-CG1 4.19Å; F90-I92 HydrophobicContact CE2-CD1 4.28Å; F90-I92 HydrophobicContact CE2-CG1 4.33Å |
| 93 | L | 95.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.7 | -176.1 | -55.6 | 171.3 | 0 | 0 | 0 | 110 | V46 V47 I66 I75 H76 L77 | V46-L93 WeakPolarHBondContact CA-O 3.42Å; V47-L93 HydrophobicContact CB-CB 4.34Å; V47-L93 PolarHBondContact N-O 2.72Å; V47-L93 PolarHBondContact O-N 3.2Å; I66-L93 HydrophobicContact CD1-CD2 3.84Å; I75-L93 HydrophobicContact CG1-CB 4.33Å; H76-L93 WeakPolarHBondContact O-CA 3.04Å; L77-L93 HydrophobicContact CB-CD2 4.28Å; L77-L93 HydrophobicContact CD1-CD2 3.81Å |
| 94 | E | 95.5 | Very high | 90.6 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 146.7 | 169 | 70.6 | -178.5 | 136.1 | 0 | 0 | 111.3 | I75 H76 I78 F153 K160 | I75-E94 HydrophobicContact CD1-CG 3.31Å; I75-E94 HydrophobicContact CG1-CG 3.95Å; H76-E94 HydrophobicContact CB-CB 4.39Å; H76-E94 HydrophobicContact CB-CG 4.06Å; H76-E94 WeakPolarHBondContact CB-OE1 3.29Å; H76-E94 PolarHBondContact N-OE1 2.79Å; H76-E94 PolarHBondContact O-N 2.75Å; I78-E94 HydrophobicContact CD1-CB 4.27Å; E94-F153 HydrophobicContact CG-CE1 4.2Å; E94-F153 HydrophobicContact CG-CZ 4Å; E94-K160 VanDerWaalsContact OE1-CD 3.27Å; E94-K160 WeakPolarHBondContact OE1-CD 3.45Å; E94-K160 IonicContact OE1-NZ 2.78Å; E94-K160 PolarHBondContact OE1-NZ 3.48Å; E94-K160 IonicContact OE2-NZ 2.8Å; E94-K160 PolarHBondContact OE2-NZ 2.94Å |
| 95 | Y | 94.6 | Very high | 91 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | trans | -88.2 | 124.7 | -179.1 | 174.1 | -109.7 | 0 | 0 | 0 | 112.1 | L28 L38 N45 V47 N97 H99 F153 | L28-Y95 HydrophobicContact CD1-CE2 4.45Å; L38-Y95 HydrophobicContact CD1-CD2 3.68Å; L38-Y95 HydrophobicContact CD1-CE2 3.86Å; L38-Y95 HydrophobicContact CD1-CG 4.04Å; N45-Y95 HydrophobicContact CB-CD1 3.7Å; N45-Y95 HydrophobicContact CB-CE1 4.5Å; N45-Y95 HydrophobicContact CB-CG 3.94Å; N45-Y95 WeakPolarHBondContact O-CB 3.05Å; V47-Y95 HydrophobicContact CG2-CD2 3.78Å; Y95-N97 HydrophobicContact CD1-CB 4.35Å; Y95-N97 HydrophobicContact CE1-CB 4.15Å; Y95-N97 PolarHBondContact O-N 3.33Å; Y95-H99 PolarHBondContact OH-CE1 3.22Å; Y95-F153 WeakPolarHBondContact O-CE1 3.24Å | ||
| 96 | A | 94.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | trans | -78.9 | 98.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | C98 H99 L151 F153 | A96-C98 PolarHBondContact O-N 3.48Å; A96-H99 PolarHBondContact O-N 2.9Å; A96-L151 HydrophobicContact CB-CB 3.7Å; A96-L151 HydrophobicContact CB-CD1 4.44Å; A96-L151 HydrophobicContact CB-CD2 4.35Å; A96-L151 HydrophobicContact CB-CG 4.38Å; A96-F153 HydrophobicContact CB-CE1 4.32Å; A96-F153 HydrophobicContact CB-CE2 3.87Å; A96-F153 HydrophobicContact CB-CZ 3.72Å | ||
| 97 | N | 91.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 27.5 Ų | 27.5 | 40% | 0.401 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.7 | -174.2 | 70.2 | -64.2 | 0 | 0 | 0 | 114.2 | Y95 L301 | Y95-N97 HydrophobicContact CD1-CB 4.35Å; Y95-N97 HydrophobicContact CE1-CB 4.15Å; Y95-N97 PolarHBondContact O-N 3.33Å; N97-L301 WeakPolarHBondContact O-CD2 3.47Å |
| 98 | C | 92.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 13.3 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | A96 G152 L156 I296 | A96-C98 PolarHBondContact O-N 3.48Å; C98-G152 WeakPolarHBondContact CB-O 3.47Å; C98-G152 PolarHBondContact N-O 3.25Å; C98-L156 HydrophobicContact CB-CD2 3.53Å; C98-L156 HydrophobicContact CB-CG 4.07Å; C98-I296 HydrophobicContact CB-CD1 3.61Å |
| 99 | H | 92.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.069 | 15% | 0.154 | C | C | . | . | trans | 56.6 | -163.4 | -179.4 | -62.3 | -72.8 | 0 | 0 | 0 | 113.2 | Y95 A96 N103 F108 G152 L301 L304 | Y95-H99 PolarHBondContact OH-CE1 3.22Å; A96-H99 PolarHBondContact O-N 2.9Å; H99-N103 HydrophobicContact CB-CB 4.2Å; H99-F108 HydrophobicContact CB-CE2 4.11Å; H99-F108 HydrophobicContact CB-CZ 3.79Å; H99-F108 AromaticContact CD2-CZ 3.53Å; H99-F108 AromaticContact CG-CZ 3.92Å; H99-G152 PolarHBondContact O-N 2.76Å; H99-L301 PolarHBondContact NE2-O 3.39Å; H99-L304 WeakPolarHBondContact CE1-CD1 3.27Å; H99-L304 WeakPolarHBondContact ND1-CD1 3.25Å | ||
| 100 | S | 94.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 156.9 | 178.6 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | Q102 N103 V104 S148 I150 | S100-Q102 PolarHBondContact O-N 3.1Å; S100-Q102 PolarHBondContact OG-N 3.36Å; S100-N103 PolarHBondContact N-OD1 3.02Å; S100-N103 VanDerWaalsContact N-OD1 3.15Å; S100-N103 WeakPolarHBondContact O-CB 3.36Å; S100-N103 PolarHBondContact O-N 2.85Å; S100-N103 PolarHBondContact OG-N 3.09Å; S100-N103 PolarHBondContact OG-OD1 2.88Å; S100-V104 PolarHBondContact O-N 2.82Å; S100-S148 VanDerWaalsContact CB-O 3.3Å; S100-S148 WeakPolarHBondContact CB-O 3.5Å; S100-I150 CarbonylContact C-O 3.59Å; S100-I150 WeakPolarHBondContact CA-O 3.26Å |
| 101 | L | 96.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -19 | 173 | -67.6 | -173.7 | 0 | 0 | 0 | 112.7 | V104 L105 W121 P147 I150 L156 V159 F215 | L101-V104 HydrophobicContact CD2-CB 4.42Å; L101-V104 HydrophobicContact CD2-CG2 4.17Å; L101-V104 PolarHBondContact O-N 3.13Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.47Å; L101-W121 HydrophobicContact CD1-CB 4.13Å; L101-W121 HydrophobicContact CD1-CD2 3.82Å; L101-W121 HydrophobicContact CD1-CE3 3.73Å; L101-W121 HydrophobicContact CD1-CG 4.02Å; L101-W121 HydrophobicContact CD1-CZ3 4.39Å; L101-W121 HydrophobicContact CD2-CD2 4.07Å; L101-W121 HydrophobicContact CD2-CE3 4.09Å; L101-W121 HydrophobicContact CD2-CH2 4.04Å; L101-W121 HydrophobicContact CD2-CZ2 4.01Å; L101-W121 HydrophobicContact CD2-CZ3 4.08Å; L101-P147 HydrophobicContact CB-CB 4.39Å; L101-P147 PolarHBondContact N-O 2.67Å; L101-I150 HydrophobicContact CB-CB 4.44Å; L101-I150 HydrophobicContact CD1-CB 3.98Å; L101-I150 HydrophobicContact CD1-CG2 3.39Å; L101-I150 HydrophobicContact CG-CB 4.17Å; L101-I150 HydrophobicContact CG-CG2 3.8Å; L101-I150 PolarHBondContact N-O 3.28Å; L101-L156 HydrophobicContact CD2-CD2 3.99Å; L101-V159 HydrophobicContact CD1-CG1 4.26Å; L101-V159 HydrophobicContact CD2-CG1 4.36Å; L101-V159 HydrophobicContact CG-CG1 4.49Å; L101-F215 HydrophobicContact CB-CE1 3.81Å; L101-F215 HydrophobicContact CB-CZ 3.88Å; L101-F215 HydrophobicContact CD1-CE1 3.98Å; L101-F215 HydrophobicContact CD1-CE2 3.88Å; L101-F215 HydrophobicContact CD1-CZ 3.35Å; L101-F215 HydrophobicContact CG-CZ 4.27Å |
| 102 | Q | 93.9 | Very high | 91 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 168.3 | -171.6 | 175.3 | -8.8 | 0 | 0 | 111.7 | S100 V104 L105 Y106 P147 S148 | S100-Q102 PolarHBondContact O-N 3.1Å; S100-Q102 PolarHBondContact OG-N 3.36Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-L105 WeakPolarHBondContact O-CB 3.35Å; Q102-L105 PolarHBondContact O-N 3.46Å; Q102-Y106 HydrophobicContact CG-CD2 3.91Å; Q102-Y106 HydrophobicContact CG-CE2 4.33Å; Q102-Y106 WeakPolarHBondContact O-CD2 3.49Å; Q102-Y106 PolarHBondContact O-N 3.19Å; Q102-Y106 VanDerWaalsContact O-N 3.08Å; Q102-P147 HydrophobicContact CB-CB 3.9Å; Q102-P147 PolarHBondContact N-O 3.3Å; Q102-S148 PolarHBondContact OE1-OG 2.8Å |
| 103 | N | 91.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 176.9 | -55 | 115.4 | 0 | 0 | 0 | 110.8 | H99 S100 L105 Y106 D107 F108 | H99-N103 HydrophobicContact CB-CB 4.2Å; S100-N103 PolarHBondContact N-OD1 3.02Å; S100-N103 VanDerWaalsContact N-OD1 3.15Å; S100-N103 WeakPolarHBondContact O-CB 3.36Å; S100-N103 PolarHBondContact O-N 2.85Å; S100-N103 PolarHBondContact OG-N 3.09Å; S100-N103 PolarHBondContact OG-OD1 2.88Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.36Å; N103-Y106 PolarHBondContact O-N 2.92Å; N103-D107 WeakPolarHBondContact CA-OD2 3.48Å; N103-D107 HydrophobicContact CB-CB 4.27Å; N103-D107 PolarHBondContact ND2-OD2 3.08Å; N103-D107 WeakPolarHBondContact O-CA 3.44Å; N103-D107 PolarHBondContact O-N 3.04Å; N103-F108 HydrophobicContact CB-CD2 4.42Å; N103-F108 HydrophobicContact CB-CE1 3.94Å; N103-F108 HydrophobicContact CB-CE2 3.78Å; N103-F108 HydrophobicContact CB-CZ 3.5Å; N103-F108 VanDerWaalsContact CB-CZ 3.5Å; N103-F108 PolarHBondContact O-N 3.36Å; N103-F108 VanDerWaalsContact O-N 3.08Å |
| 104 | V | 92.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 112 | S100 L101 Q102 F108 V111 Y113 W121 L156 | S100-V104 PolarHBondContact O-N 2.82Å; L101-V104 HydrophobicContact CD2-CB 4.42Å; L101-V104 HydrophobicContact CD2-CG2 4.17Å; L101-V104 PolarHBondContact O-N 3.13Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; V104-F108 HydrophobicContact CB-CD2 4.47Å; V104-F108 HydrophobicContact CG2-CD2 4.01Å; V104-F108 HydrophobicContact CG2-CE2 4.14Å; V104-V111 HydrophobicContact CG1-CG1 3.93Å; V104-Y113 HydrophobicContact CG1-CD1 3.97Å; V104-Y113 HydrophobicContact CG1-CE1 4.27Å; V104-W121 HydrophobicContact CG1-CH2 4.32Å; V104-L156 HydrophobicContact CB-CD1 4.5Å; V104-L156 HydrophobicContact CG1-CD1 3.93Å; V104-L156 HydrophobicContact CG2-CD1 3.71Å; V104-L156 HydrophobicContact CG2-CD2 4.02Å |
| 105 | L | 91.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 178.5 | -84.8 | 167.8 | 0 | 0 | 0 | 113.2 | L101 Q102 N103 Y113 P147 E214 F215 | L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.47Å; Q102-L105 WeakPolarHBondContact O-CB 3.35Å; Q102-L105 PolarHBondContact O-N 3.46Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.36Å; L105-Y113 HydrophobicContact CD2-CE1 4.27Å; L105-Y113 WeakPolarHBondContact CD2-OH 3.48Å; L105-P147 HydrophobicContact CD1-CB 3.97Å; L105-P147 HydrophobicContact CD1-CG 3.95Å; L105-E214 HydrophobicContact CD1-CG 3.99Å; L105-F215 HydrophobicContact CD1-CD1 3.78Å; L105-F215 HydrophobicContact CD1-CE1 3.78Å; L105-F215 HydrophobicContact CD2-CD1 4.21Å; L105-F215 HydrophobicContact CG-CD1 4.12Å; L105-F215 HydrophobicContact CG-CE1 4.34Å |
| 106 | Y | 91 | Very high | 90.2 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -126 | -23.9 | -161.6 | -57.5 | -50.8 | 0 | 0 | 0 | 115.6 | Q102 N103 E214 P220 | Q102-Y106 HydrophobicContact CG-CD2 3.91Å; Q102-Y106 HydrophobicContact CG-CE2 4.33Å; Q102-Y106 WeakPolarHBondContact O-CD2 3.49Å; Q102-Y106 PolarHBondContact O-N 3.19Å; Q102-Y106 VanDerWaalsContact O-N 3.08Å; N103-Y106 PolarHBondContact O-N 2.92Å; Y106-E214 WeakPolarHBondContact OH-CG 3.07Å; Y106-E214 PolarHBondContact OH-OE1 3.08Å; Y106-P220 VanDerWaalsContact OH-CA 3.3Å; Y106-P220 WeakPolarHBondContact OH-CA 3.26Å |
| 107 | D | 88.6 | Confident | 90.1 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 40% | 0.401 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -16.8 | -170.4 | -56.6 | -41.6 | 0 | 0 | 0 | 113.3 | N103 P109 | N103-D107 WeakPolarHBondContact CA-OD2 3.48Å; N103-D107 HydrophobicContact CB-CB 4.27Å; N103-D107 PolarHBondContact ND2-OD2 3.08Å; N103-D107 WeakPolarHBondContact O-CA 3.44Å; N103-D107 PolarHBondContact O-N 3.04Å; D107-P109 WeakPolarHBondContact O-CD 3.37Å |
| 108 | F | 88.1 | Confident | 90.3 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | trans | -105.4 | 83.9 | -176.8 | -58.4 | -19.7 | 0 | 0 | 0 | 112.1 | H99 N103 V104 G110 V111 I296 C300 | H99-F108 HydrophobicContact CB-CE2 4.11Å; H99-F108 HydrophobicContact CB-CZ 3.79Å; H99-F108 AromaticContact CD2-CZ 3.53Å; H99-F108 AromaticContact CG-CZ 3.92Å; N103-F108 HydrophobicContact CB-CD2 4.42Å; N103-F108 HydrophobicContact CB-CE1 3.94Å; N103-F108 HydrophobicContact CB-CE2 3.78Å; N103-F108 HydrophobicContact CB-CZ 3.5Å; N103-F108 VanDerWaalsContact CB-CZ 3.5Å; N103-F108 PolarHBondContact O-N 3.36Å; N103-F108 VanDerWaalsContact O-N 3.08Å; V104-F108 HydrophobicContact CB-CD2 4.47Å; V104-F108 HydrophobicContact CG2-CD2 4.01Å; V104-F108 HydrophobicContact CG2-CE2 4.14Å; F108-G110 PolarHBondContact O-N 3.12Å; F108-V111 HydrophobicContact CB-CB 4.03Å; F108-V111 HydrophobicContact CB-CG2 3.57Å; F108-V111 HydrophobicContact CG-CG2 4.5Å; F108-V111 WeakPolarHBondContact O-CB 3.34Å; F108-V111 PolarHBondContact O-N 2.99Å; F108-I296 HydrophobicContact CD2-CG2 3.98Å; F108-I296 HydrophobicContact CE2-CD1 4.48Å; F108-I296 HydrophobicContact CE2-CG2 4.31Å; F108-I296 HydrophobicContact CG-CG2 4.42Å; F108-C300 HydrophobicContact CB-CB 4.12Å; F108-C300 HydrophobicContact CD1-CB 3.55Å; F108-C300 HydrophobicContact CE1-CB 4.11Å; F108-C300 WeakPolarHBondContact CE1-O 3.46Å; F108-C300 HydrophobicContact CG-CB 3.85Å | ||
| 109 | P | 77.7 | Confident | 90.4 | Very high | 100 Ų | 100 | 39 Ų | 39 | 65% | 0.649 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 136.1 | 178.6 | 27.2 | -35.3 | 0 | 0 | 0 | 110.8 | D107 V111 | D107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-V111 VanDerWaalsContact C-N 3.28Å; P109-V111 PolarHBondContact O-N 3.39Å |
| 110 | G | 79.7 | Confident | 90.5 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F108 H112 | F108-G110 PolarHBondContact O-N 3.12Å; G110-H112 PolarHBondContact O-CD2 3.47Å; G110-H112 PolarHBondContact O-N 3.31Å |
| 111 | V | 85.8 | Confident | 90.6 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | trans | -76.1 | 109.1 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | V104 F108 P109 I294 I296 | V104-V111 HydrophobicContact CG1-CG1 3.93Å; F108-V111 HydrophobicContact CB-CB 4.03Å; F108-V111 HydrophobicContact CB-CG2 3.57Å; F108-V111 HydrophobicContact CG-CG2 4.5Å; F108-V111 WeakPolarHBondContact O-CB 3.34Å; F108-V111 PolarHBondContact O-N 2.99Å; P109-V111 VanDerWaalsContact C-N 3.28Å; P109-V111 PolarHBondContact O-N 3.39Å; V111-I294 HydrophobicContact CG1-CG2 3.54Å; V111-I296 HydrophobicContact CG2-CB 4.4Å; V111-I296 HydrophobicContact CG2-CG1 4.33Å; V111-I296 HydrophobicContact CG2-CG2 4.08Å | ||
| 112 | H | 87.2 | Confident | 90.7 | Very high | 149 Ų | 149 | 38.7 Ų | 38.7 | 69% | 0.69 | 21% | 0.211 | S | C | * | . | trans | -109.3 | 123.8 | 177.8 | -63.6 | -74.1 | 0 | 0 | 0 | 110.1 | G110 | G110-H112 PolarHBondContact O-CD2 3.47Å; G110-H112 PolarHBondContact O-N 3.31Å | ||
| 113 | Y | 92 | Very high | 90.9 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | trans | -114.3 | 146.5 | 173 | 63.7 | -100.8 | 0 | 0 | 0 | 109.7 | V104 L105 T118 W121 F215 R218 I294 | V104-Y113 HydrophobicContact CG1-CD1 3.97Å; V104-Y113 HydrophobicContact CG1-CE1 4.27Å; L105-Y113 HydrophobicContact CD2-CE1 4.27Å; L105-Y113 WeakPolarHBondContact CD2-OH 3.48Å; Y113-T118 WeakPolarHBondContact CD2-OG1 3.35Å; Y113-T118 WeakPolarHBondContact CE2-OG1 3.34Å; Y113-W121 AromaticContact CD1-CH2 3.72Å; Y113-W121 HydrophobicContact CD1-CH2 3.72Å; Y113-W121 HydrophobicContact CD1-CZ3 4.01Å; Y113-W121 HydrophobicContact CD2-CH2 4.03Å; Y113-W121 AromaticContact CD2-CZ3 3.86Å; Y113-W121 HydrophobicContact CD2-CZ3 3.86Å; Y113-W121 HydrophobicContact CE1-CH2 4.37Å; Y113-W121 HydrophobicContact CE1-CZ3 4.25Å; Y113-W121 HydrophobicContact CE2-CZ3 4.14Å; Y113-W121 AromaticContact CG-CH2 3.53Å; Y113-W121 HydrophobicContact CG-CH2 3.53Å; Y113-W121 AromaticContact CG-CZ3 3.81Å; Y113-W121 HydrophobicContact CG-CZ3 3.81Å; Y113-F215 HydrophobicContact CE2-CB 4.42Å; Y113-F215 WeakPolarHBondContact CE2-O 3.34Å; Y113-F215 WeakPolarHBondContact OH-CA 3.39Å; Y113-F215 PolarHBondContact OH-O 2.66Å; Y113-R218 VanDerWaalsContact CE1-NH2 3.32Å; Y113-R218 PolarHBondContact O-NH2 3.21Å; Y113-R218 WeakPolarHBondContact OH-CG 3.5Å; Y113-I294 VanDerWaalsContact CB-CD1 3.46Å | ||
| 114 | N | 90.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | trans | -102.3 | -179.1 | 179.8 | 66 | 39.3 | 0 | 0 | 0 | 111.1 | V116 N117 T118 | N114-V116 VanDerWaalsContact C-N 3.28Å; N114-V116 PolarHBondContact O-N 3.41Å; N114-V116 WeakPolarHBondContact OD1-CA 3.43Å; N114-V116 WeakPolarHBondContact OD1-CB 3.18Å; N114-V116 PolarHBondContact OD1-N 2.93Å; N114-N117 VanDerWaalsContact CG-OD1 3.26Å; N114-N117 PolarHBondContact N-OD1 2.88Å; N114-N117 PolarHBondContact O-N 3.1Å; N114-N117 PolarHBondContact OD1-N 3.31Å; N114-N117 VanDerWaalsContact OD1-N 3.07Å; N114-N117 PolarHBondContact OD1-OD1 3.26Å; N114-N117 VanDerWaalsContact OD1-OD1 3.08Å; N114-T118 PolarHBondContact O-N 3Å; N114-T118 PolarHBondContact O-OG1 2.82Å | ||
| 115 | L | 90.5 | Very high | 91.5 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 29% | 0.293 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.6 | -37.9 | 179.8 | 178.3 | 59.2 | 0 | 0 | 0 | 112.8 | N117 T118 L119 L216 L252 I284 | L115-N117 VanDerWaalsContact C-N 3.34Å; L115-N117 PolarHBondContact O-N 3.42Å; L115-T118 PolarHBondContact O-N 3.16Å; L115-L119 HydrophobicContact CD1-CD1 4.14Å; L115-L119 HydrophobicContact CD1-CD2 4.47Å; L115-L119 HydrophobicContact CD1-CG 3.99Å; L115-L119 HydrophobicContact CD2-CD1 4.47Å; L115-L119 HydrophobicContact CG-CD1 3.87Å; L115-L119 HydrophobicContact CG-CG 4.21Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.24Å; L115-L119 PolarHBondContact O-N 3.16Å; L115-L216 HydrophobicContact CD1-CD2 3.72Å; L115-L252 HydrophobicContact CD1-CD1 3.59Å; L115-L252 HydrophobicContact CD2-CD1 4.1Å; L115-L252 HydrophobicContact CG-CD1 4.41Å; L115-I284 HydrophobicContact CD2-CD1 4.29Å |
| 116 | V | 90.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | N114 L119 N120 I284 F285 I291 | N114-V116 VanDerWaalsContact C-N 3.28Å; N114-V116 PolarHBondContact O-N 3.41Å; N114-V116 WeakPolarHBondContact OD1-CA 3.43Å; N114-V116 WeakPolarHBondContact OD1-CB 3.18Å; N114-V116 PolarHBondContact OD1-N 2.93Å; V116-L119 PolarHBondContact O-N 3.47Å; V116-N120 VanDerWaalsContact O-CB 3.26Å; V116-N120 WeakPolarHBondContact O-CB 3.44Å; V116-N120 PolarHBondContact O-N 2.97Å; V116-I284 HydrophobicContact CG2-CB 4.44Å; V116-I284 HydrophobicContact CG2-CG2 3.51Å; V116-F285 HydrophobicContact CG1-CB 4.22Å; V116-F285 HydrophobicContact CG1-CG 4.24Å; V116-F285 HydrophobicContact CG2-CB 4.46Å; V116-I291 HydrophobicContact CG1-CD1 4.13Å; V116-I291 HydrophobicContact CG1-CG1 4.13Å; V116-I291 HydrophobicContact CG1-CG2 4.2Å |
| 117 | N | 93.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 174.6 | -58.4 | 119.2 | 0 | 0 | 0 | 111.1 | N114 L115 L119 N120 W121 Q292 I294 | N114-N117 VanDerWaalsContact CG-OD1 3.26Å; N114-N117 PolarHBondContact N-OD1 2.88Å; N114-N117 PolarHBondContact O-N 3.1Å; N114-N117 PolarHBondContact OD1-N 3.31Å; N114-N117 VanDerWaalsContact OD1-N 3.07Å; N114-N117 PolarHBondContact OD1-OD1 3.26Å; N114-N117 VanDerWaalsContact OD1-OD1 3.08Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-N117 PolarHBondContact O-N 3.42Å; N117-L119 PolarHBondContact O-N 3.49Å; N117-N120 WeakPolarHBondContact O-CB 3.39Å; N117-N120 PolarHBondContact O-N 2.85Å; N117-W121 HydrophobicContact CB-CH2 4.34Å; N117-W121 HydrophobicContact CB-CZ2 4.01Å; N117-W121 VanDerWaalsContact O-CD2 3.29Å; N117-W121 PolarHBondContact O-N 2.84Å; N117-Q292 PolarHBondContact ND2-O 3.3Å; N117-I294 HydrophobicContact CB-CD1 3.92Å |
| 118 | T | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 178.1 | -55 | 0 | 0 | 0 | 0 | 111.8 | Y113 N114 L115 N120 W121 I122 F212 F215 L216 | Y113-T118 WeakPolarHBondContact CD2-OG1 3.35Å; Y113-T118 WeakPolarHBondContact CE2-OG1 3.34Å; N114-T118 PolarHBondContact O-N 3Å; N114-T118 PolarHBondContact O-OG1 2.82Å; L115-T118 PolarHBondContact O-N 3.16Å; T118-N120 VanDerWaalsContact C-N 3.3Å; T118-N120 PolarHBondContact O-N 3.19Å; T118-W121 PolarHBondContact O-N 2.75Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 3.18Å; T118-F212 HydrophobicContact CG2-CD2 3.61Å; T118-F212 HydrophobicContact CG2-CE2 3.55Å; T118-F215 HydrophobicContact CG2-CB 3.45Å; T118-F215 VanDerWaalsContact CG2-CB 3.45Å; T118-F215 HydrophobicContact CG2-CD2 3.99Å; T118-F215 HydrophobicContact CG2-CG 4.16Å; T118-L216 HydrophobicContact CG2-CD2 4.07Å |
| 119 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 179.4 | -68.9 | 170.8 | 0 | 0 | 0 | 111.5 | L115 V116 N117 I122 L123 F212 L252 L277 I280 I281 I284 | L115-L119 HydrophobicContact CD1-CD1 4.14Å; L115-L119 HydrophobicContact CD1-CD2 4.47Å; L115-L119 HydrophobicContact CD1-CG 3.99Å; L115-L119 HydrophobicContact CD2-CD1 4.47Å; L115-L119 HydrophobicContact CG-CD1 3.87Å; L115-L119 HydrophobicContact CG-CG 4.21Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.24Å; L115-L119 PolarHBondContact O-N 3.16Å; V116-L119 PolarHBondContact O-N 3.47Å; N117-L119 PolarHBondContact O-N 3.49Å; L119-I122 PolarHBondContact O-N 3.01Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 PolarHBondContact O-N 3.28Å; L119-F212 HydrophobicContact CD2-CE1 4.47Å; L119-F212 HydrophobicContact CD2-CE2 4.28Å; L119-F212 HydrophobicContact CD2-CZ 3.63Å; L119-L252 HydrophobicContact CD2-CD1 4.36Å; L119-L252 HydrophobicContact CD2-CD2 3.75Å; L119-L277 HydrophobicContact CD2-CD2 3.82Å; L119-I280 HydrophobicContact CD1-CG2 4.1Å; L119-I281 HydrophobicContact CB-CD1 3.86Å; L119-I281 HydrophobicContact CB-CG1 3.6Å; L119-I281 HydrophobicContact CD1-CG1 4.18Å; L119-I281 HydrophobicContact CG-CG1 4.47Å; L119-I284 HydrophobicContact CD1-CD1 3.74Å |
| 120 | N | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.9 | 178.7 | 49 | 0 | 0 | 0 | 112.2 | V116 N117 T118 L123 Q124 R157 I291 | V116-N120 VanDerWaalsContact O-CB 3.26Å; V116-N120 WeakPolarHBondContact O-CB 3.44Å; V116-N120 PolarHBondContact O-N 2.97Å; N117-N120 WeakPolarHBondContact O-CB 3.39Å; N117-N120 PolarHBondContact O-N 2.85Å; T118-N120 VanDerWaalsContact C-N 3.3Å; T118-N120 PolarHBondContact O-N 3.19Å; N120-L123 PolarHBondContact O-N 3.4Å; N120-Q124 VanDerWaalsContact CG-NE2 3.27Å; N120-Q124 PolarHBondContact ND2-NE2 3.27Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 3.45Å; N120-Q124 PolarHBondContact OD1-NE2 2.85Å; N120-R157 PolarHBondContact ND2-O 2.9Å; N120-R157 VanDerWaalsContact ND2-O 3.09Å; N120-I291 HydrophobicContact CB-CD1 3.75Å |
| 121 | W | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.4 | -58.3 | -26.3 | 0 | 0 | 0 | 112.1 | L101 V104 Y113 N117 T118 L123 Q124 I125 L156 V159 F215 I294 | L101-W121 HydrophobicContact CD1-CB 4.13Å; L101-W121 HydrophobicContact CD1-CD2 3.82Å; L101-W121 HydrophobicContact CD1-CE3 3.73Å; L101-W121 HydrophobicContact CD1-CG 4.02Å; L101-W121 HydrophobicContact CD1-CZ3 4.39Å; L101-W121 HydrophobicContact CD2-CD2 4.07Å; L101-W121 HydrophobicContact CD2-CE3 4.09Å; L101-W121 HydrophobicContact CD2-CH2 4.04Å; L101-W121 HydrophobicContact CD2-CZ2 4.01Å; L101-W121 HydrophobicContact CD2-CZ3 4.08Å; V104-W121 HydrophobicContact CG1-CH2 4.32Å; Y113-W121 AromaticContact CD1-CH2 3.72Å; Y113-W121 HydrophobicContact CD1-CH2 3.72Å; Y113-W121 HydrophobicContact CD1-CZ3 4.01Å; Y113-W121 HydrophobicContact CD2-CH2 4.03Å; Y113-W121 AromaticContact CD2-CZ3 3.86Å; Y113-W121 HydrophobicContact CD2-CZ3 3.86Å; Y113-W121 HydrophobicContact CE1-CH2 4.37Å; Y113-W121 HydrophobicContact CE1-CZ3 4.25Å; Y113-W121 HydrophobicContact CE2-CZ3 4.14Å; Y113-W121 AromaticContact CG-CH2 3.53Å; Y113-W121 HydrophobicContact CG-CH2 3.53Å; Y113-W121 AromaticContact CG-CZ3 3.81Å; Y113-W121 HydrophobicContact CG-CZ3 3.81Å; N117-W121 HydrophobicContact CB-CH2 4.34Å; N117-W121 HydrophobicContact CB-CZ2 4.01Å; N117-W121 VanDerWaalsContact O-CD2 3.29Å; N117-W121 PolarHBondContact O-N 2.84Å; T118-W121 PolarHBondContact O-N 2.75Å; W121-L123 VanDerWaalsContact C-N 3.34Å; W121-L123 PolarHBondContact O-N 2.92Å; W121-Q124 PolarHBondContact O-N 3.24Å; W121-I125 WeakPolarHBondContact O-CG1 3.27Å; W121-I125 PolarHBondContact O-N 3.21Å; W121-L156 HydrophobicContact CH2-CD1 4.44Å; W121-L156 HydrophobicContact CZ2-CB 3.89Å; W121-L156 HydrophobicContact CZ2-CD1 3.97Å; W121-L156 HydrophobicContact CZ2-CG 4.42Å; W121-L156 PolarHBondContact NE1-O 3.47Å; W121-V159 HydrophobicContact CB-CG1 4.46Å; W121-V159 HydrophobicContact CB-CG2 4.12Å; W121-V159 VanDerWaalsContact CD1-CG1 3.4Å; W121-V159 HydrophobicContact CG-CG1 3.95Å; W121-V159 HydrophobicContact CG-CG2 4.4Å; W121-F215 HydrophobicContact CE3-CD2 4.34Å; W121-F215 HydrophobicContact CE3-CE2 4.4Å; W121-I294 HydrophobicContact CH2-CD1 3.98Å; W121-I294 HydrophobicContact CZ2-CD1 3.52Å |
| 122 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 178.4 | -60 | -58.3 | 0 | 0 | 0 | 111.2 | T118 L119 I125 S126 L208 F212 F215 L277 | T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 3.18Å; L119-I122 PolarHBondContact O-N 3.01Å; I122-I125 PolarHBondContact O-N 2.84Å; I122-S126 VanDerWaalsContact O-CB 3.29Å; I122-S126 WeakPolarHBondContact O-CB 3.37Å; I122-S126 PolarHBondContact O-N 2.76Å; I122-S126 PolarHBondContact O-OG 2.9Å; I122-L208 HydrophobicContact CD1-CD1 3.71Å; I122-L208 HydrophobicContact CD1-CG 4.45Å; I122-L208 HydrophobicContact CG2-CD1 4.37Å; I122-L208 HydrophobicContact CG2-CD2 4.28Å; I122-L208 HydrophobicContact CG2-CG 4.23Å; I122-F212 HydrophobicContact CD1-CB 3.65Å; I122-F212 HydrophobicContact CD1-CD2 4.3Å; I122-F212 HydrophobicContact CD1-CG 4.08Å; I122-F212 HydrophobicContact CG1-CB 3.84Å; I122-F212 HydrophobicContact CG1-CD1 4.28Å; I122-F212 HydrophobicContact CG1-CD2 3.65Å; I122-F212 HydrophobicContact CG1-CE2 4.28Å; I122-F212 HydrophobicContact CG1-CG 3.67Å; I122-F212 HydrophobicContact CG2-CD1 4.24Å; I122-F212 HydrophobicContact CG2-CG 4.38Å; I122-F215 HydrophobicContact CD1-CD2 3.83Å; I122-F215 HydrophobicContact CD1-CE2 3.79Å; I122-F215 HydrophobicContact CG1-CD2 4.39Å; I122-L277 HydrophobicContact CB-CD1 4.21Å; I122-L277 HydrophobicContact CG2-CD1 3.57Å |
| 123 | L | 97.3 | Very high | 96 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 174.2 | 175.7 | 60.7 | 0 | 0 | 0 | 111.2 | L119 N120 W121 I125 S126 R127 S274 L277 I281 | L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 PolarHBondContact O-N 3.28Å; N120-L123 PolarHBondContact O-N 3.4Å; W121-L123 VanDerWaalsContact C-N 3.34Å; W121-L123 PolarHBondContact O-N 2.92Å; L123-I125 PolarHBondContact O-N 3.36Å; L123-S126 WeakPolarHBondContact CA-OG 3.31Å; L123-S126 PolarHBondContact O-N 3.41Å; L123-S126 PolarHBondContact O-OG 2.91Å; L123-R127 HydrophobicContact CD1-CG 4.47Å; L123-R127 WeakPolarHBondContact O-CG 3.42Å; L123-R127 PolarHBondContact O-N 3.45Å; L123-S274 WeakPolarHBondContact CD1-O 3.41Å; L123-L277 HydrophobicContact CB-CB 4.47Å; L123-L277 HydrophobicContact CD1-CB 4.3Å; L123-I281 HydrophobicContact CB-CD1 4.03Å; L123-I281 HydrophobicContact CD2-CD1 3.65Å; L123-I281 HydrophobicContact CG-CD1 4.46Å |
| 124 | Q | 98.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.065 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.6 | -76.3 | -179 | 46.5 | 0 | 0 | 112.8 | N73 N120 W121 R127 A128 R157 V159 | N73-Q124 HydrophobicContact CB-CB 4.4Å; N73-Q124 WeakPolarHBondContact CB-O 3.45Å; N73-Q124 WeakPolarHBondContact ND2-CB 3.44Å; N73-Q124 WeakPolarHBondContact ND2-CG 3.44Å; N73-Q124 PolarHBondContact ND2-OE1 3.15Å; N73-Q124 PolarHBondContact OD1-O 3.21Å; N120-Q124 VanDerWaalsContact CG-NE2 3.27Å; N120-Q124 PolarHBondContact ND2-NE2 3.27Å; N120-Q124 WeakPolarHBondContact O-CG 3.35Å; N120-Q124 PolarHBondContact O-N 3.45Å; N120-Q124 PolarHBondContact OD1-NE2 2.85Å; W121-Q124 PolarHBondContact O-N 3.24Å; Q124-R127 PolarHBondContact O-N 2.92Å; Q124-A128 PolarHBondContact O-N 3.22Å; Q124-R157 PolarHBondContact NE2-O 2.89Å; Q124-V159 HydrophobicContact CB-CG2 3.7Å; Q124-V159 HydrophobicContact CG-CG2 4.46Å; Q124-V159 PolarHBondContact OE1-O 3.33Å |
| 125 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.3 | -33.7 | 178.1 | -58.4 | -57.6 | 0 | 0 | 0 | 111.5 | W121 I122 L123 R127 A128 S129 I145 I150 V159 L161 L208 | W121-I125 WeakPolarHBondContact O-CG1 3.27Å; W121-I125 PolarHBondContact O-N 3.21Å; I122-I125 PolarHBondContact O-N 2.84Å; L123-I125 PolarHBondContact O-N 3.36Å; I125-R127 VanDerWaalsContact C-N 3.31Å; I125-R127 PolarHBondContact O-N 2.82Å; I125-A128 PolarHBondContact O-N 3.17Å; I125-S129 WeakPolarHBondContact O-CB 3.28Å; I125-S129 PolarHBondContact O-N 3.11Å; I125-S129 PolarHBondContact O-OG 2.88Å; I125-I145 HydrophobicContact CG2-CG2 4.25Å; I125-I150 HydrophobicContact CD1-CG1 4.15Å; I125-I150 HydrophobicContact CD1-CG2 3.84Å; I125-I150 HydrophobicContact CG1-CD1 4.07Å; I125-I150 HydrophobicContact CG1-CG1 4.07Å; I125-I150 HydrophobicContact CG1-CG2 3.95Å; I125-V159 HydrophobicContact CD1-CG2 4.02Å; I125-V159 HydrophobicContact CG1-CG2 4.08Å; I125-L161 HydrophobicContact CD1-CB 4.06Å; I125-L161 HydrophobicContact CG2-CD1 4.47Å; I125-L208 HydrophobicContact CB-CD1 3.97Å; I125-L208 HydrophobicContact CG2-CD1 3.69Å; I125-L208 HydrophobicContact CG2-CD2 4.37Å |
| 126 | S | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 171.9 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | I122 L123 D130 S274 | I122-S126 VanDerWaalsContact O-CB 3.29Å; I122-S126 WeakPolarHBondContact O-CB 3.37Å; I122-S126 PolarHBondContact O-N 2.76Å; I122-S126 PolarHBondContact O-OG 2.9Å; L123-S126 WeakPolarHBondContact CA-OG 3.31Å; L123-S126 PolarHBondContact O-N 3.41Å; L123-S126 PolarHBondContact O-OG 2.91Å; S126-D130 VanDerWaalsContact O-CB 3.26Å; S126-D130 WeakPolarHBondContact O-CB 3.47Å; S126-D130 PolarHBondContact O-N 3.15Å; S126-S274 WeakPolarHBondContact OG-CA 3.35Å; S126-S274 WeakPolarHBondContact OG-CB 3.4Å |
| 127 | R | 98.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 26.4 Ų | 26.4 | 36% | 0.362 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.1 | -44.5 | 174.2 | -70.1 | 173.3 | 178.2 | 178.2 | 0.3 | 112.3 | L123 Q124 I125 S129 D130 Y131 | L123-R127 HydrophobicContact CD1-CG 4.47Å; L123-R127 WeakPolarHBondContact O-CG 3.42Å; L123-R127 PolarHBondContact O-N 3.45Å; Q124-R127 PolarHBondContact O-N 2.92Å; I125-R127 VanDerWaalsContact C-N 3.31Å; I125-R127 PolarHBondContact O-N 2.82Å; R127-S129 PolarHBondContact O-N 2.97Å; R127-D130 PolarHBondContact O-N 2.87Å; R127-Y131 PolarHBondContact O-N 2.94Å |
| 128 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N73 I74 Q124 I125 Y131 L132 L161 | N73-A128 HydrophobicContact CB-CB 3.85Å; N73-A128 WeakPolarHBondContact O-CB 3.16Å; I74-A128 HydrophobicContact CG1-CB 3.98Å; Q124-A128 PolarHBondContact O-N 3.22Å; I125-A128 PolarHBondContact O-N 3.17Å; A128-Y131 WeakPolarHBondContact O-CB 3.19Å; A128-Y131 PolarHBondContact O-N 3.04Å; A128-L132 WeakPolarHBondContact O-CG 3.47Å; A128-L132 PolarHBondContact O-N 2.81Å; A128-L132 VanDerWaalsContact O-N 3.16Å; A128-L161 HydrophobicContact CB-CB 4.36Å |
| 129 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -37.2 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | I125 R127 Y131 L132 H133 I145 | I125-S129 WeakPolarHBondContact O-CB 3.28Å; I125-S129 PolarHBondContact O-N 3.11Å; I125-S129 PolarHBondContact O-OG 2.88Å; R127-S129 PolarHBondContact O-N 2.97Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.39Å; S129-L132 WeakPolarHBondContact O-CB 3.42Å; S129-L132 PolarHBondContact O-N 2.86Å; S129-L132 VanDerWaalsContact O-N 3.16Å; S129-H133 WeakPolarHBondContact O-CB 3.37Å; S129-H133 PolarHBondContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.4Å; S129-H133 PolarHBondContact O-ND1 3.48Å; S129-I145 VanDerWaalsContact OG-CD1 3.31Å; S129-I145 WeakPolarHBondContact OG-CD1 3.41Å |
| 130 | D | 98.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.6 | -168.7 | 51.3 | 0 | 0 | 0 | 112.4 | S126 R127 L132 H133 H134 M270 F271 | S126-D130 VanDerWaalsContact O-CB 3.26Å; S126-D130 WeakPolarHBondContact O-CB 3.47Å; S126-D130 PolarHBondContact O-N 3.15Å; R127-D130 PolarHBondContact O-N 2.87Å; D130-L132 PolarHBondContact O-N 3.34Å; D130-H133 PolarHBondContact O-N 3.34Å; D130-H134 PolarHBondContact O-N 2.93Å; D130-H134 IonicContact OD1-CE1 2.73Å; D130-H134 PolarHBondContact OD1-CE1 3.23Å; D130-H134 IonicContact OD1-CG 2.72Å; D130-H134 IonicContact OD1-ND1 3.11Å; D130-H134 PolarHBondContact OD1-ND1 3.04Å; D130-M270 HydrophobicContact CB-CB 3.8Å; D130-F271 WeakPolarHBondContact OD1-CB 3.35Å; D130-F271 PolarHBondContact OD1-N 3.46Å; D130-F271 VanDerWaalsContact OD1-N 3.14Å |
| 131 | Y | 98.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 32.8 Ų | 32.8 | 18% | 0.176 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -57.1 | -47.9 | 171.5 | 167 | -93.8 | 0 | 0 | 0 | 111.4 | F69 E70 H71 I74 R127 A128 S129 H133 S135 C136 | F69-Y131 HydrophobicContact CB-CE1 4.23Å; F69-Y131 HydrophobicContact CD1-CE1 4.21Å; F69-Y131 HydrophobicContact CG-CE1 4.45Å; E70-Y131 PolarHBondContact N-OH 2.83Å; E70-Y131 VanDerWaalsContact N-OH 3.1Å; H71-Y131 HydrophobicContact CB-CD1 4.06Å; H71-Y131 HydrophobicContact CB-CE1 4.25Å; H71-Y131 HydrophobicContact CB-CG 4.23Å; H71-Y131 AromaticContact CD2-CG 3.84Å; I74-Y131 HydrophobicContact CD1-CD1 3.65Å; I74-Y131 HydrophobicContact CD1-CE1 3.96Å; R127-Y131 PolarHBondContact O-N 2.94Å; A128-Y131 WeakPolarHBondContact O-CB 3.19Å; A128-Y131 PolarHBondContact O-N 3.04Å; S129-Y131 VanDerWaalsContact C-N 3.33Å; S129-Y131 PolarHBondContact O-N 3.39Å; Y131-H133 VanDerWaalsContact C-N 3.33Å; Y131-H133 PolarHBondContact O-N 2.96Å; Y131-S135 WeakPolarHBondContact O-CA 3.23Å; Y131-S135 VanDerWaalsContact O-CB 3.24Å; Y131-S135 WeakPolarHBondContact O-CB 3.17Å; Y131-S135 PolarHBondContact O-N 3.33Å; Y131-C136 PolarHBondContact O-N 2.82Å |
| 132 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -62 | -39.9 | 177.4 | -64.9 | 171.7 | 0 | 0 | 0 | 112.3 | F69 I74 A128 S129 D130 V140 H142 L161 F164 | F69-L132 HydrophobicContact CD1-CD2 3.97Å; F69-L132 HydrophobicContact CD2-CD2 3.97Å; F69-L132 HydrophobicContact CE1-CD2 3.76Å; F69-L132 HydrophobicContact CE2-CD2 3.77Å; F69-L132 HydrophobicContact CG-CD2 4.1Å; F69-L132 HydrophobicContact CZ-CD2 3.66Å; I74-L132 HydrophobicContact CD1-CD1 4.41Å; I74-L132 HydrophobicContact CD1-CD2 3.83Å; I74-L132 HydrophobicContact CD1-CG 4Å; A128-L132 WeakPolarHBondContact O-CG 3.47Å; A128-L132 PolarHBondContact O-N 2.81Å; A128-L132 VanDerWaalsContact O-N 3.16Å; S129-L132 WeakPolarHBondContact O-CB 3.42Å; S129-L132 PolarHBondContact O-N 2.86Å; S129-L132 VanDerWaalsContact O-N 3.16Å; D130-L132 PolarHBondContact O-N 3.34Å; L132-V140 CarbonylContact C-O 3.43Å; L132-V140 HydrophobicContact CB-CB 4.2Å; L132-V140 WeakPolarHBondContact CB-O 3.32Å; L132-V140 HydrophobicContact CD2-CB 4.26Å; L132-V140 HydrophobicContact CD2-CG1 4.35Å; L132-V140 PolarHBondContact O-N 3.22Å; L132-H142 HydrophobicContact CD1-CB 4.43Å; L132-L161 HydrophobicContact CD1-CD2 4.17Å; L132-F164 HydrophobicContact CD1-CE1 3.76Å; L132-F164 HydrophobicContact CD1-CZ 4.44Å; L132-F164 HydrophobicContact CD2-CE1 4.08Å |
| 133 | H | 96.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -74.8 | -35.4 | -176 | -61.8 | 170.1 | 0 | 0 | 0 | 113.2 | S129 D130 Y131 P139 V140 E201 D204 M270 | S129-H133 WeakPolarHBondContact O-CB 3.37Å; S129-H133 PolarHBondContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.4Å; S129-H133 PolarHBondContact O-ND1 3.48Å; D130-H133 PolarHBondContact O-N 3.34Å; Y131-H133 VanDerWaalsContact C-N 3.33Å; Y131-H133 PolarHBondContact O-N 2.96Å; H133-P139 WeakPolarHBondContact O-CB 3.12Å; H133-V140 PolarHBondContact CD2-O 3Å; H133-V140 VanDerWaalsContact CD2-O 3.27Å; H133-E201 HydrophobicContact CB-CB 4.21Å; H133-E201 HydrophobicContact CB-CG 4.41Å; H133-E201 PolarHBondContact CE1-O 3.44Å; H133-D204 IonicContact CD2-OD2 3.7Å; H133-D204 IonicContact CE1-OD2 2.75Å; H133-D204 IonicContact NE2-OD2 3.43Å; H133-D204 PolarHBondContact NE2-OD2 3.38Å; H133-M270 VanDerWaalsContact CE1-CG 3.47Å; H133-M270 WeakPolarHBondContact CE1-CG 3.36Å; H133-M270 WeakPolarHBondContact ND1-CG 3.31Å |
| 134 | H | 95.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 33.5 Ų | 33.5 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -122.7 | -25.1 | -168.8 | -63.2 | 106.9 | 0 | 0 | 0 | 115.1 | D130 | D130-H134 PolarHBondContact O-N 2.93Å; D130-H134 IonicContact OD1-CE1 2.73Å; D130-H134 PolarHBondContact OD1-CE1 3.23Å; D130-H134 IonicContact OD1-CG 2.72Å; D130-H134 IonicContact OD1-ND1 3.11Å; D130-H134 PolarHBondContact OD1-ND1 3.04Å |
| 135 | S | 95.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 32.9 Ų | 32.9 | 57% | 0.573 | 19% | 0.188 | S | C | * | . | I | π-helix | trans | -97.5 | -25.9 | -177.4 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | Y131 | Y131-S135 WeakPolarHBondContact O-CA 3.23Å; Y131-S135 VanDerWaalsContact O-CB 3.24Å; Y131-S135 WeakPolarHBondContact O-CB 3.17Å; Y131-S135 PolarHBondContact O-N 3.33Å |
| 136 | C | 94.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -78.2 | 144.2 | 172.8 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | Y131 P138 V140 | Y131-C136 PolarHBondContact O-N 2.82Å; C136-P138 CarbonylContact C-O 3.54Å; C136-P138 CarbonylContact O-C 3.59Å; C136-P138 VanDerWaalsContact O-C 3.31Å; C136-V140 HydrophobicContact CB-CG2 4.07Å |
| 137 | S | 91.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 33.9 Ų | 33.9 | 79% | 0.79 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -130.4 | 112.8 | 174.2 | -165.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 138 | P | 91.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 42% | 0.422 | 19% | 0.186 | S | C | . | . | S | Bend | cis | -66.1 | 159.3 | -2.3 | 30.5 | -37.3 | 0 | 0 | 0 | 112.9 | C136 T169 | C136-P138 CarbonylContact C-O 3.54Å; C136-P138 CarbonylContact O-C 3.59Å; C136-P138 VanDerWaalsContact O-C 3.31Å; P138-T169 HydrophobicContact CG-CG2 3.68Å |
| 139 | P | 93.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 48% | 0.481 | 19% | 0.189 | S | C | . | . | trans | -50.3 | 140.3 | 169.4 | -31.5 | 38.7 | 0 | 0 | 0 | 112.4 | H133 T169 | H133-P139 WeakPolarHBondContact O-CB 3.12Å; P139-T169 WeakPolarHBondContact O-CA 3.44Å | ||
| 140 | V | 94.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | trans | -113.6 | 126.2 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L65 F69 L132 H133 C136 R168 T169 | L65-V140 HydrophobicContact CD2-CG2 4.18Å; F69-V140 HydrophobicContact CE1-CG2 4Å; F69-V140 HydrophobicContact CZ-CB 4.34Å; F69-V140 HydrophobicContact CZ-CG1 4.04Å; F69-V140 HydrophobicContact CZ-CG2 3.93Å; L132-V140 CarbonylContact C-O 3.43Å; L132-V140 HydrophobicContact CB-CB 4.2Å; L132-V140 WeakPolarHBondContact CB-O 3.32Å; L132-V140 HydrophobicContact CD2-CB 4.26Å; L132-V140 HydrophobicContact CD2-CG1 4.35Å; L132-V140 PolarHBondContact O-N 3.22Å; H133-V140 PolarHBondContact CD2-O 3Å; H133-V140 VanDerWaalsContact CD2-O 3.27Å; C136-V140 HydrophobicContact CB-CG2 4.07Å; V140-R168 CarbonylContact C-O 3.52Å; V140-R168 VanDerWaalsContact CA-O 3.31Å; V140-R168 WeakPolarHBondContact CA-O 3.3Å; V140-T169 HydrophobicContact CG2-CG2 3.82Å | ||
| 141 | I | 93.7 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.087 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 128.3 | 169.2 | -51.9 | 166.5 | 0 | 0 | 0 | 107.5 | S167 R168 L171 Y199 S200 E201 D204 | I141-S167 CarbonylContact O-C 3.5Å; I141-S167 VanDerWaalsContact O-CA 3.24Å; I141-S167 WeakPolarHBondContact O-CA 3.22Å; I141-S167 WeakPolarHBondContact O-CB 3.26Å; I141-R168 PolarHBondContact N-O 3.35Å; I141-R168 PolarHBondContact O-N 2.81Å; I141-L171 HydrophobicContact CD1-CD2 4.37Å; I141-Y199 HydrophobicContact CB-CE1 4.43Å; I141-Y199 WeakPolarHBondContact CB-OH 3.35Å; I141-Y199 HydrophobicContact CD1-CD1 3.99Å; I141-Y199 HydrophobicContact CD1-CE1 3.38Å; I141-Y199 HydrophobicContact CD1-CE2 4.45Å; I141-Y199 HydrophobicContact CG1-CE1 4.48Å; I141-Y199 HydrophobicContact CG2-CE1 4.5Å; I141-Y199 HydrophobicContact CG2-CE2 4.27Å; I141-Y199 WeakPolarHBondContact CG2-OH 3.48Å; I141-S200 VanDerWaalsContact CD1-C 3.46Å; I141-E201 HydrophobicContact CG1-CB 4.39Å; I141-D204 WeakPolarHBondContact CG2-OD1 3.49Å; I141-D204 WeakPolarHBondContact CG2-OD2 3.46Å |
| 142 | H | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -67.4 | -44.8 | -177.4 | -175.6 | -89.9 | 0 | 0 | 0 | 111.5 | L132 D144 I145 L161 G162 D163 F164 S167 D204 | L132-H142 HydrophobicContact CD1-CB 4.43Å; H142-D144 PolarHBondContact CE1-O 3.47Å; H142-D144 VanDerWaalsContact ND1-C 3.28Å; H142-D144 PolarHBondContact ND1-N 3Å; H142-D144 PolarHBondContact O-N 3.41Å; H142-I145 HydrophobicContact CB-CD1 4.3Å; H142-I145 HydrophobicContact CB-CG1 3.94Å; H142-I145 PolarHBondContact ND1-N 3.3Å; H142-L161 HydrophobicContact CB-CD2 4.32Å; H142-G162 PolarHBondContact NE2-O 3.11Å; H142-G162 VanDerWaalsContact NE2-O 3.14Å; H142-D163 PolarHBondContact CE1-O 3.14Å; H142-D163 PolarHBondContact NE2-O 2.85Å; H142-F164 AromaticContact CD2-CD1 3.8Å; H142-F164 AromaticContact CD2-CE1 3.68Å; H142-S167 WeakPolarHBondContact CA-OG 3.46Å; H142-S167 VanDerWaalsContact O-CA 3.32Å; H142-S167 WeakPolarHBondContact O-CA 3.45Å; H142-S167 PolarHBondContact O-N 3.35Å; H142-S167 PolarHBondContact O-OG 3.08Å; H142-D204 PolarHBondContact N-OD1 2.99Å; H142-D204 PolarHBondContact N-OD2 2.89Å | ||
| 143 | A | 90.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | trans | 69.6 | -4.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y199 D204 | A143-Y199 WeakPolarHBondContact CB-OH 3.26Å; A143-D204 WeakPolarHBondContact CA-OD1 3.2Å; A143-D204 PolarHBondContact N-OD1 3.21Å | ||
| 144 | D | 91.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | trans | -142.6 | 45.2 | 177 | -162.2 | 30.7 | 0 | 0 | 0 | 112.8 | H142 K146 N149 | H142-D144 PolarHBondContact CE1-O 3.47Å; H142-D144 VanDerWaalsContact ND1-C 3.28Å; H142-D144 PolarHBondContact ND1-N 3Å; H142-D144 PolarHBondContact O-N 3.41Å; D144-K146 PolarHBondContact O-N 3.25Å; D144-K146 IonicContact OD1-NZ 2.93Å; D144-K146 PolarHBondContact OD1-NZ 3.35Å; D144-K146 WeakPolarHBondContact OD2-CE 3.35Å; D144-K146 IonicContact OD2-NZ 2.79Å; D144-K146 PolarHBondContact OD2-NZ 3.49Å; D144-N149 PolarHBondContact O-ND2 3.42Å; D144-N149 PolarHBondContact OD2-ND2 2.91Å | ||
| 145 | I | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -71.9 | 121.9 | 175.3 | -59.2 | 178.9 | 0 | 0 | 0 | 109.2 | I125 S129 H142 L161 D204 S207 L208 M270 | I125-I145 HydrophobicContact CG2-CG2 4.25Å; S129-I145 VanDerWaalsContact OG-CD1 3.31Å; S129-I145 WeakPolarHBondContact OG-CD1 3.41Å; H142-I145 HydrophobicContact CB-CD1 4.3Å; H142-I145 HydrophobicContact CB-CG1 3.94Å; H142-I145 PolarHBondContact ND1-N 3.3Å; I145-L161 HydrophobicContact CG1-CD1 4.28Å; I145-L161 HydrophobicContact CG1-CD2 4.47Å; I145-D204 HydrophobicContact CD1-CB 3.68Å; I145-S207 WeakPolarHBondContact O-CB 3.46Å; I145-L208 HydrophobicContact CG2-CB 4.33Å; I145-L208 HydrophobicContact CG2-CD1 4.24Å; I145-M270 HydrophobicContact CD1-CE 4.11Å | ||
| 146 | K | 94.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -164.2 | 164.3 | 179.1 | 62.9 | -168.1 | 179.4 | -150.9 | 0 | 110.2 | D144 S148 N149 I150 T180 Y183 | D144-K146 PolarHBondContact O-N 3.25Å; D144-K146 IonicContact OD1-NZ 2.93Å; D144-K146 PolarHBondContact OD1-NZ 3.35Å; D144-K146 WeakPolarHBondContact OD2-CE 3.35Å; D144-K146 IonicContact OD2-NZ 2.79Å; D144-K146 PolarHBondContact OD2-NZ 3.49Å; K146-S148 PolarHBondContact O-N 3.48Å; K146-S148 VanDerWaalsContact O-N 3.09Å; K146-N149 WeakPolarHBondContact CE-ND2 3.39Å; K146-N149 HydrophobicContact CG-CB 4.26Å; K146-N149 PolarHBondContact O-N 2.88Å; K146-I150 PolarHBondContact O-N 3.18Å; K146-T180 PolarHBondContact NZ-OG1 3.01Å; K146-Y183 HydrophobicContact CB-CD1 4.05Å; K146-Y183 HydrophobicContact CB-CD2 3.8Å; K146-Y183 HydrophobicContact CB-CE1 4.05Å; K146-Y183 HydrophobicContact CB-CE2 3.79Å; K146-Y183 HydrophobicContact CB-CG 3.92Å; K146-Y183 HydrophobicContact CD-CD2 4.39Å; K146-Y183 HydrophobicContact CD-CE2 4.43Å |
| 147 | P | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -53.9 | -32.5 | -178.7 | -26.6 | 32.1 | 0 | 0 | 0 | 115.6 | L101 Q102 L105 N149 I150 T211 E214 F215 | L101-P147 HydrophobicContact CB-CB 4.39Å; L101-P147 PolarHBondContact N-O 2.67Å; Q102-P147 HydrophobicContact CB-CB 3.9Å; Q102-P147 PolarHBondContact N-O 3.3Å; L105-P147 HydrophobicContact CD1-CB 3.97Å; L105-P147 HydrophobicContact CD1-CG 3.95Å; P147-N149 PolarHBondContact O-N 2.84Å; P147-I150 PolarHBondContact O-N 3.46Å; P147-T211 HydrophobicContact CG-CG2 4.02Å; P147-E214 WeakPolarHBondContact CD-OE2 3.4Å; P147-E214 WeakPolarHBondContact CG-OE2 3.4Å; P147-F215 HydrophobicContact CB-CE1 4.06Å; P147-F215 HydrophobicContact CB-CZ 4.42Å; P147-F215 HydrophobicContact CG-CE1 4Å; P147-F215 HydrophobicContact CG-CZ 4.36Å |
| 148 | S | 92.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -63.5 | -30.4 | 177.9 | -11.6 | 0 | 0 | 0 | 0 | 113 | S100 Q102 K146 | S100-S148 VanDerWaalsContact CB-O 3.3Å; S100-S148 WeakPolarHBondContact CB-O 3.5Å; Q102-S148 PolarHBondContact OE1-OG 2.8Å; K146-S148 PolarHBondContact O-N 3.48Å; K146-S148 VanDerWaalsContact O-N 3.09Å |
| 149 | N | 95.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -98.8 | 1.9 | -174.1 | -70.7 | -3.8 | 0 | 0 | 0 | 111.7 | D144 K146 P147 G162 | D144-N149 PolarHBondContact O-ND2 3.42Å; D144-N149 PolarHBondContact OD2-ND2 2.91Å; K146-N149 WeakPolarHBondContact CE-ND2 3.39Å; K146-N149 HydrophobicContact CG-CB 4.26Å; K146-N149 PolarHBondContact O-N 2.88Å; P147-N149 PolarHBondContact O-N 2.84Å; N149-G162 WeakPolarHBondContact CB-O 3.42Å; N149-G162 PolarHBondContact O-N 3.07Å |
| 150 | I | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108.8 | 172.7 | -58.7 | 166.9 | 0 | 0 | 0 | 108 | S100 L101 I125 K146 P147 V159 T211 F215 | S100-I150 CarbonylContact C-O 3.59Å; S100-I150 WeakPolarHBondContact CA-O 3.26Å; L101-I150 HydrophobicContact CB-CB 4.44Å; L101-I150 HydrophobicContact CD1-CB 3.98Å; L101-I150 HydrophobicContact CD1-CG2 3.39Å; L101-I150 HydrophobicContact CG-CB 4.17Å; L101-I150 HydrophobicContact CG-CG2 3.8Å; L101-I150 PolarHBondContact N-O 3.28Å; I125-I150 HydrophobicContact CD1-CG1 4.15Å; I125-I150 HydrophobicContact CD1-CG2 3.84Å; I125-I150 HydrophobicContact CG1-CD1 4.07Å; I125-I150 HydrophobicContact CG1-CG1 4.07Å; I125-I150 HydrophobicContact CG1-CG2 3.95Å; K146-I150 PolarHBondContact O-N 3.18Å; P147-I150 PolarHBondContact O-N 3.46Å; I150-V159 HydrophobicContact CG2-CB 3.74Å; I150-V159 HydrophobicContact CG2-CG1 4.16Å; I150-V159 HydrophobicContact CG2-CG2 4.12Å; I150-T211 HydrophobicContact CD1-CG2 3.75Å; I150-F215 HydrophobicContact CD1-CE2 4.44Å; I150-F215 HydrophobicContact CD1-CZ 4.15Å |
| 151 | L | 97.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 23.3 Ų | 23.3 | 20% | 0.204 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.7 | -169.8 | -60.7 | 178.5 | 0 | 0 | 0 | 110.8 | I75 A96 F153 V159 K160 | I75-L151 HydrophobicContact CB-CD1 4.4Å; I75-L151 HydrophobicContact CD1-CD1 3.68Å; I75-L151 HydrophobicContact CG1-CD1 4Å; A96-L151 HydrophobicContact CB-CB 3.7Å; A96-L151 HydrophobicContact CB-CD1 4.44Å; A96-L151 HydrophobicContact CB-CD2 4.35Å; A96-L151 HydrophobicContact CB-CG 4.38Å; L151-F153 HydrophobicContact CB-CE2 4.02Å; L151-F153 WeakPolarHBondContact O-CD2 3.43Å; L151-V159 CarbonylContact O-C 3.52Å; L151-V159 VanDerWaalsContact O-CA 3.24Å; L151-V159 WeakPolarHBondContact O-CA 3.47Å; L151-K160 PolarHBondContact N-O 2.81Å; L151-K160 PolarHBondContact O-N 3.32Å |
| 152 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C98 H99 | C98-G152 WeakPolarHBondContact CB-O 3.47Å; C98-G152 PolarHBondContact N-O 3.25Å; H99-G152 PolarHBondContact O-N 2.76Å |
| 153 | F | 95.5 | Very high | 95.4 | Very high | 16 Ų | 16 | 25 Ų | 25 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 160.7 | 176.9 | -65.9 | -97.4 | 0 | 0 | 0 | 110.3 | I75 E94 Y95 A96 L151 R155 L156 R157 L158 K160 | I75-F153 HydrophobicContact CD1-CE2 4.03Å; I75-F153 HydrophobicContact CD1-CZ 3.59Å; E94-F153 HydrophobicContact CG-CE1 4.2Å; E94-F153 HydrophobicContact CG-CZ 4Å; Y95-F153 WeakPolarHBondContact O-CE1 3.24Å; A96-F153 HydrophobicContact CB-CE1 4.32Å; A96-F153 HydrophobicContact CB-CE2 3.87Å; A96-F153 HydrophobicContact CB-CZ 3.72Å; L151-F153 HydrophobicContact CB-CE2 4.02Å; L151-F153 WeakPolarHBondContact O-CD2 3.43Å; F153-R155 PolarHBondContact O-N 3.45Å; F153-L156 VanDerWaalsContact O-CA 3.29Å; F153-L156 WeakPolarHBondContact O-CA 3.32Å; F153-L156 PolarHBondContact O-N 3.31Å; F153-R157 PolarHBondContact O-N 3.44Å; F153-L158 HydrophobicContact CB-CB 4.02Å; F153-L158 HydrophobicContact CB-CD2 4.04Å; F153-L158 HydrophobicContact CB-CG 4.16Å; F153-L158 HydrophobicContact CG-CD2 4.49Å; F153-L158 PolarHBondContact N-O 2.8Å; F153-L158 PolarHBondContact O-N 3.21Å; F153-L158 VanDerWaalsContact O-O 3.13Å; F153-K160 HydrophobicContact CD2-CB 4.33Å; F153-K160 HydrophobicContact CD2-CD 3.98Å; F153-K160 HydrophobicContact CD2-CG 3.79Å; F153-K160 HydrophobicContact CE2-CB 3.87Å; F153-K160 HydrophobicContact CE2-CD 3.6Å; F153-K160 HydrophobicContact CE2-CG 3.67Å; F153-K160 HydrophobicContact CZ-CD 3.97Å |
| 154 | D | 94.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 24.3 Ų | 24.3 | 39% | 0.39 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 49.3 | 164.6 | -162.7 | 24.8 | 0 | 0 | 0 | 114.4 | L156 R157 L158 | D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.44Å; D154-R157 WeakPolarHBondContact O-CB 3.32Å; D154-R157 VanDerWaalsContact O-CZ 3.31Å; D154-R157 PolarHBondContact O-N 3.19Å; D154-R157 PolarHBondContact O-NE 2.83Å; D154-R157 PolarHBondContact O-NH2 3.42Å; D154-R157 IonicContact OD1-CZ 2.89Å; D154-R157 IonicContact OD1-NH1 2.69Å; D154-R157 IonicContact OD1-NH2 2.7Å; D154-R157 PolarHBondContact OD1-NH2 3.28Å; D154-R157 IonicContact OD2-CZ 3.25Å; D154-R157 IonicContact OD2-NH1 3.62Å; D154-R157 PolarHBondContact OD2-NH1 2.79Å; D154-R157 IonicContact OD2-NH2 3.29Å; D154-R157 PolarHBondContact OD2-NH2 3.4Å; D154-R157 VanDerWaalsContact OD2-NH2 3.11Å; D154-L158 HydrophobicContact CB-CB 4.41Å |
| 155 | R | 93.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 24.5 Ų | 24.5 | 46% | 0.464 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 43.3 | -172.1 | -57.7 | -168.6 | -62.4 | -78.6 | 1 | 112.2 | F153 R157 G293 I294 D295 | F153-R155 PolarHBondContact O-N 3.45Å; R155-R157 PolarHBondContact O-N 3.16Å; R155-R157 VanDerWaalsContact O-N 3.11Å; R155-G293 CarbonylContact O-C 3.49Å; R155-G293 WeakPolarHBondContact O-CA 3.01Å; R155-I294 PolarHBondContact O-N 3.47Å; R155-D295 WeakPolarHBondContact CD-OD1 3.45Å |
| 156 | L | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 18.3 | -178.3 | -57.3 | 174.4 | 0 | 0 | 0 | 115.3 | C98 L101 V104 W121 F153 D154 L158 I294 I296 | C98-L156 HydrophobicContact CB-CD2 3.53Å; C98-L156 HydrophobicContact CB-CG 4.07Å; L101-L156 HydrophobicContact CD2-CD2 3.99Å; V104-L156 HydrophobicContact CB-CD1 4.5Å; V104-L156 HydrophobicContact CG1-CD1 3.93Å; V104-L156 HydrophobicContact CG2-CD1 3.71Å; V104-L156 HydrophobicContact CG2-CD2 4.02Å; W121-L156 HydrophobicContact CH2-CD1 4.44Å; W121-L156 HydrophobicContact CZ2-CB 3.89Å; W121-L156 HydrophobicContact CZ2-CD1 3.97Å; W121-L156 HydrophobicContact CZ2-CG 4.42Å; W121-L156 PolarHBondContact NE1-O 3.47Å; F153-L156 VanDerWaalsContact O-CA 3.29Å; F153-L156 WeakPolarHBondContact O-CA 3.32Å; F153-L156 PolarHBondContact O-N 3.31Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.44Å; L156-L158 VanDerWaalsContact C-N 3.35Å; L156-I294 HydrophobicContact CB-CD1 4.02Å; L156-I294 HydrophobicContact CD1-CB 4.1Å; L156-I294 HydrophobicContact CD1-CD1 3.81Å; L156-I294 HydrophobicContact CD1-CG2 4.33Å; L156-I296 HydrophobicContact CD1-CD1 3.96Å; L156-I296 HydrophobicContact CD1-CG1 4.35Å; L156-I296 HydrophobicContact CD2-CD1 4.39Å; L156-I296 HydrophobicContact CG-CD1 4Å |
| 157 | R | 94.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 24 Ų | 24 | 21% | 0.208 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -30.2 | 170.9 | -72.9 | 179.2 | -78.5 | 113.3 | 0.9 | 111.7 | N120 Q124 F153 D154 R155 I291 | N120-R157 PolarHBondContact ND2-O 2.9Å; N120-R157 VanDerWaalsContact ND2-O 3.09Å; Q124-R157 PolarHBondContact NE2-O 2.89Å; F153-R157 PolarHBondContact O-N 3.44Å; D154-R157 WeakPolarHBondContact O-CB 3.32Å; D154-R157 VanDerWaalsContact O-CZ 3.31Å; D154-R157 PolarHBondContact O-N 3.19Å; D154-R157 PolarHBondContact O-NE 2.83Å; D154-R157 PolarHBondContact O-NH2 3.42Å; D154-R157 IonicContact OD1-CZ 2.89Å; D154-R157 IonicContact OD1-NH1 2.69Å; D154-R157 IonicContact OD1-NH2 2.7Å; D154-R157 PolarHBondContact OD1-NH2 3.28Å; D154-R157 IonicContact OD2-CZ 3.25Å; D154-R157 IonicContact OD2-NH1 3.62Å; D154-R157 PolarHBondContact OD2-NH1 2.79Å; D154-R157 IonicContact OD2-NH2 3.29Å; D154-R157 PolarHBondContact OD2-NH2 3.4Å; D154-R157 VanDerWaalsContact OD2-NH2 3.11Å; R155-R157 PolarHBondContact O-N 3.16Å; R155-R157 VanDerWaalsContact O-N 3.11Å; R157-I291 WeakPolarHBondContact CD-O 3.47Å; R157-I291 WeakPolarHBondContact CG-O 3.44Å |
| 158 | L | 97.2 | Very high | 94 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 23% | 0.225 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.8 | 176.2 | 177.1 | 67.3 | 0 | 0 | 0 | 109.1 | N73 F153 D154 L156 K160 | N73-L158 WeakPolarHBondContact ND2-CD1 3.31Å; F153-L158 HydrophobicContact CB-CB 4.02Å; F153-L158 HydrophobicContact CB-CD2 4.04Å; F153-L158 HydrophobicContact CB-CG 4.16Å; F153-L158 HydrophobicContact CG-CD2 4.49Å; F153-L158 PolarHBondContact N-O 2.8Å; F153-L158 PolarHBondContact O-N 3.21Å; F153-L158 VanDerWaalsContact O-O 3.13Å; D154-L158 HydrophobicContact CB-CB 4.41Å; L156-L158 VanDerWaalsContact C-N 3.35Å; L158-K160 HydrophobicContact CG-CG 4.46Å |
| 159 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.1 | 168.8 | -64.5 | 0 | 0 | 0 | 0 | 110 | N73 L101 W121 Q124 I125 I150 L151 | N73-V159 PolarHBondContact ND2-O 2.81Å; L101-V159 HydrophobicContact CD1-CG1 4.26Å; L101-V159 HydrophobicContact CD2-CG1 4.36Å; L101-V159 HydrophobicContact CG-CG1 4.49Å; W121-V159 HydrophobicContact CB-CG1 4.46Å; W121-V159 HydrophobicContact CB-CG2 4.12Å; W121-V159 VanDerWaalsContact CD1-CG1 3.4Å; W121-V159 HydrophobicContact CG-CG1 3.95Å; W121-V159 HydrophobicContact CG-CG2 4.4Å; Q124-V159 HydrophobicContact CB-CG2 3.7Å; Q124-V159 HydrophobicContact CG-CG2 4.46Å; Q124-V159 PolarHBondContact OE1-O 3.33Å; I125-V159 HydrophobicContact CD1-CG2 4.02Å; I125-V159 HydrophobicContact CG1-CG2 4.08Å; I150-V159 HydrophobicContact CG2-CB 3.74Å; I150-V159 HydrophobicContact CG2-CG1 4.16Å; I150-V159 HydrophobicContact CG2-CG2 4.12Å; L151-V159 CarbonylContact O-C 3.52Å; L151-V159 VanDerWaalsContact O-CA 3.24Å; L151-V159 WeakPolarHBondContact O-CA 3.47Å |
| 160 | K | 98.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.1 | 179.2 | -57.2 | -170.7 | 178.1 | -172.4 | 0 | 110.4 | E72 N73 I75 E94 L151 F153 L158 | E72-K160 VanDerWaalsContact O-CE 3.26Å; E72-K160 WeakPolarHBondContact O-CE 3.24Å; N73-K160 CarbonylContact O-C 3.53Å; N73-K160 WeakPolarHBondContact O-CA 3.32Å; I75-K160 HydrophobicContact CD1-CD 4.47Å; E94-K160 VanDerWaalsContact OE1-CD 3.27Å; E94-K160 WeakPolarHBondContact OE1-CD 3.45Å; E94-K160 IonicContact OE1-NZ 2.78Å; E94-K160 PolarHBondContact OE1-NZ 3.48Å; E94-K160 IonicContact OE2-NZ 2.8Å; E94-K160 PolarHBondContact OE2-NZ 2.94Å; L151-K160 PolarHBondContact N-O 2.81Å; L151-K160 PolarHBondContact O-N 3.32Å; F153-K160 HydrophobicContact CD2-CB 4.33Å; F153-K160 HydrophobicContact CD2-CD 3.98Å; F153-K160 HydrophobicContact CD2-CG 3.79Å; F153-K160 HydrophobicContact CE2-CB 3.87Å; F153-K160 HydrophobicContact CE2-CD 3.6Å; F153-K160 HydrophobicContact CE2-CG 3.67Å; F153-K160 HydrophobicContact CZ-CD 3.97Å; L158-K160 HydrophobicContact CG-CG 4.46Å |
| 161 | L | 98.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 131.6 | 171.9 | -171.4 | 60.4 | 0 | 0 | 0 | 109.6 | N73 I75 I125 A128 L132 H142 I145 | N73-L161 PolarHBondContact O-N 2.8Å; I75-L161 PolarHBondContact N-O 3.04Å; I125-L161 HydrophobicContact CD1-CB 4.06Å; I125-L161 HydrophobicContact CG2-CD1 4.47Å; A128-L161 HydrophobicContact CB-CB 4.36Å; L132-L161 HydrophobicContact CD1-CD2 4.17Å; H142-L161 HydrophobicContact CB-CD2 4.32Å; I145-L161 HydrophobicContact CG1-CD1 4.28Å; I145-L161 HydrophobicContact CG1-CD2 4.47Å |
| 162 | G | 95.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -133.5 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H142 N149 | H142-G162 PolarHBondContact NE2-O 3.11Å; H142-G162 VanDerWaalsContact NE2-O 3.14Å; N149-G162 WeakPolarHBondContact CB-O 3.42Å; N149-G162 PolarHBondContact O-N 3.07Å | ||
| 163 | D | 91.2 | Very high | 86.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | trans | 61.7 | 81.4 | -176.5 | -164.5 | 13.8 | 0 | 0 | 0 | 114.9 | K49 H142 G165 | K49-D163 IonicContact NZ-OD1 3.04Å; K49-D163 PolarHBondContact NZ-OD1 3.46Å; H142-D163 PolarHBondContact CE1-O 3.14Å; H142-D163 PolarHBondContact NE2-O 2.85Å; D163-G165 VanDerWaalsContact C-N 3.3Å; D163-G165 PolarHBondContact O-N 3.14Å; D163-G165 PolarHBondContact OD1-N 2.96Å | ||
| 164 | F | 91.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -91.9 | 13.1 | -179.7 | -67.7 | -94.2 | 0 | 0 | 0 | 112.9 | E62 I66 F69 I74 I75 L132 H142 S166 S167 | E62-F164 HydrophobicContact CG-CB 4.06Å; E62-F164 PolarHBondContact OE1-N 3.4Å; I66-F164 HydrophobicContact CB-CD2 4.47Å; I66-F164 HydrophobicContact CD1-CD2 3.8Å; I66-F164 HydrophobicContact CD1-CE2 4.15Å; I66-F164 HydrophobicContact CG1-CD2 4.04Å; I66-F164 HydrophobicContact CG1-CE2 4.28Å; F69-F164 HydrophobicContact CD2-CD1 4.22Å; F69-F164 AromaticContact CD2-CE1 3.84Å; F69-F164 HydrophobicContact CD2-CE1 3.84Å; F69-F164 HydrophobicContact CD2-CE2 4.46Å; F69-F164 AromaticContact CD2-CZ 3.99Å; F69-F164 HydrophobicContact CD2-CZ 3.99Å; F69-F164 AromaticContact CE2-CD1 3.52Å; F69-F164 HydrophobicContact CE2-CD1 3.52Å; F69-F164 AromaticContact CE2-CE1 3.48Å; F69-F164 HydrophobicContact CE2-CE1 3.48Å; F69-F164 VanDerWaalsContact CE2-CE1 3.48Å; F69-F164 HydrophobicContact CE2-CG 4.13Å; F69-F164 HydrophobicContact CE2-CZ 4.09Å; F69-F164 HydrophobicContact CZ-CD1 4.46Å; F69-F164 HydrophobicContact CZ-CE1 4.48Å; I74-F164 HydrophobicContact CD1-CZ 4.48Å; I74-F164 HydrophobicContact CG1-CZ 4.44Å; I74-F164 HydrophobicContact CG2-CE2 3.83Å; I74-F164 HydrophobicContact CG2-CZ 3.63Å; I75-F164 HydrophobicContact CG2-CE2 4.29Å; L132-F164 HydrophobicContact CD1-CE1 3.76Å; L132-F164 HydrophobicContact CD1-CZ 4.44Å; L132-F164 HydrophobicContact CD2-CE1 4.08Å; H142-F164 AromaticContact CD2-CD1 3.8Å; H142-F164 AromaticContact CD2-CE1 3.68Å; F164-S166 PolarHBondContact O-N 3.43Å; F164-S167 WeakPolarHBondContact CA-OG 3.47Å; F164-S167 WeakPolarHBondContact CD1-OG 3.39Å; F164-S167 WeakPolarHBondContact O-CB 3.34Å; F164-S167 PolarHBondContact O-N 3.14Å; F164-S167 VanDerWaalsContact O-N 3.08Å; F164-S167 PolarHBondContact O-OG 3.14Å | ||
| 165 | G | 87 | Confident | 82.2 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D163 | D163-G165 VanDerWaalsContact C-N 3.3Å; D163-G165 PolarHBondContact O-N 3.14Å; D163-G165 PolarHBondContact OD1-N 2.96Å |
| 166 | S | 85.6 | Confident | 80 | Confident | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.3 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | F164 R168 | F164-S166 PolarHBondContact O-N 3.43Å; S166-R168 WeakPolarHBondContact O-CG 3.49Å; S166-R168 PolarHBondContact O-NE 3.41Å |
| 167 | S | 89.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -71.4 | 157.7 | -172.8 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | K61 I141 H142 F164 | K61-S167 WeakPolarHBondContact CE-O 3.47Å; K61-S167 PolarHBondContact NZ-O 3.24Å; I141-S167 CarbonylContact O-C 3.5Å; I141-S167 VanDerWaalsContact O-CA 3.24Å; I141-S167 WeakPolarHBondContact O-CA 3.22Å; I141-S167 WeakPolarHBondContact O-CB 3.26Å; H142-S167 WeakPolarHBondContact CA-OG 3.46Å; H142-S167 VanDerWaalsContact O-CA 3.32Å; H142-S167 WeakPolarHBondContact O-CA 3.45Å; H142-S167 PolarHBondContact O-N 3.35Å; H142-S167 PolarHBondContact O-OG 3.08Å; F164-S167 WeakPolarHBondContact CA-OG 3.47Å; F164-S167 WeakPolarHBondContact CD1-OG 3.39Å; F164-S167 WeakPolarHBondContact O-CB 3.34Å; F164-S167 PolarHBondContact O-N 3.14Å; F164-S167 VanDerWaalsContact O-N 3.08Å; F164-S167 PolarHBondContact O-OG 3.14Å | ||
| 168 | R | 85.8 | Confident | 75.4 | Confident | 13 Ų | 13 | 46 Ų | 46 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -146.5 | 147.4 | -165.4 | -52.1 | 177.1 | -171.8 | -130.4 | -5.6 | 111.9 | V140 I141 S166 D173 E174 S176 | V140-R168 CarbonylContact C-O 3.52Å; V140-R168 VanDerWaalsContact CA-O 3.31Å; V140-R168 WeakPolarHBondContact CA-O 3.3Å; I141-R168 PolarHBondContact N-O 3.35Å; I141-R168 PolarHBondContact O-N 2.81Å; S166-R168 WeakPolarHBondContact O-CG 3.49Å; S166-R168 PolarHBondContact O-NE 3.41Å; R168-D173 HydrophobicContact CB-CB 4.43Å; R168-D173 HydrophobicContact CG-CB 4.29Å; R168-D173 PolarHBondContact NH1-O 3.19Å; R168-E174 PolarHBondContact NH1-O 3.36Å; R168-S176 PolarHBondContact NH2-OG 2.98Å |
| 169 | T | 84.1 | Confident | 73.2 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 27% | 0.27 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -115.6 | -20.7 | 173.6 | 52 | 0 | 0 | 0 | 0 | 113 | L65 P138 P139 V140 | L65-T169 HydrophobicContact CD2-CG2 3.68Å; P138-T169 HydrophobicContact CG-CG2 3.68Å; P139-T169 WeakPolarHBondContact O-CA 3.44Å; V140-T169 HydrophobicContact CG2-CG2 3.82Å |
| 170 | N | 70 | Confident | 71.6 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | trans | -115.9 | 137.1 | -179.2 | -66.1 | -32 | 0 | 0 | 0 | 110.5 | S172 D173 | N170-S172 PolarHBondContact O-N 2.75Å; N170-D173 WeakPolarHBondContact O-CB 3.49Å; N170-D173 PolarHBondContact O-N 3.45Å; N170-D173 VanDerWaalsContact O-N 3.11Å | ||
| 171 | L | 60.4 | Low | 70.4 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 63% | 0.628 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.6 | 173.4 | -62.3 | -179.1 | 0 | 0 | 0 | 112.9 | I141 D173 Y199 | I141-L171 HydrophobicContact CD1-CD2 4.37Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-Y199 HydrophobicContact CD2-CD1 3.87Å; L171-Y199 WeakPolarHBondContact CD2-O 3.35Å |
| 172 | S | 52.9 | Low | 69.4 | Low | 100 Ų | 100 | 49.2 Ų | 49.2 | 70% | 0.699 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.8 | 176 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | N170 E174 | N170-S172 PolarHBondContact O-N 2.75Å; S172-E174 PolarHBondContact O-N 2.97Å |
| 173 | D | 55.6 | Low | 69 | Low | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -61.1 | 114.1 | 172.5 | -76.5 | 3.5 | 0 | 0 | 0 | 107.6 | K61 R168 N170 L171 | K61-D173 IonicContact NZ-OD2 2.67Å; K61-D173 PolarHBondContact NZ-OD2 3.46Å; R168-D173 HydrophobicContact CB-CB 4.43Å; R168-D173 HydrophobicContact CG-CB 4.29Å; R168-D173 PolarHBondContact NH1-O 3.19Å; N170-D173 WeakPolarHBondContact O-CB 3.49Å; N170-D173 PolarHBondContact O-N 3.45Å; N170-D173 VanDerWaalsContact O-N 3.11Å; L171-D173 VanDerWaalsContact C-N 3.34Å |
| 174 | E | 51.4 | Low | 68.7 | Low | 172 Ų | 172 | 48.4 Ų | 48.4 | 80% | 0.804 | 28% | 0.276 | S | S | * | . | trans | -51.6 | 135.5 | -179.3 | -74.2 | -171.9 | 163.4 | 0 | 0 | 110.3 | R168 S172 S176 | R168-E174 PolarHBondContact NH1-O 3.36Å; S172-E174 PolarHBondContact O-N 2.97Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.22Å | ||
| 175 | P | 48.1 | Very low | 68.4 | Low | 33 Ų | 33 | 48.4 Ų | 48.4 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | trans | -55.1 | 95.1 | 171.9 | 23.2 | -31.9 | 0 | 0 | 0 | 109.4 | V177 L188 V191 R192 | P175-V177 PolarHBondContact O-N 2.68Å; P175-L188 HydrophobicContact CB-CD2 4.46Å; P175-V191 HydrophobicContact CG-CB 4.26Å; P175-V191 HydrophobicContact CG-CG1 3.66Å; P175-R192 HydrophobicContact CB-CG 4.31Å; P175-R192 HydrophobicContact CG-CG 3.95Å | ||
| 176 | S | 47.7 | Very low | 68.2 | Low | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -48.8 | 132.9 | 166.9 | 65.6 | 0 | 0 | 0 | 0 | 109.1 | R168 E174 F178 | R168-S176 PolarHBondContact NH2-OG 2.98Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.22Å; S176-F178 PolarHBondContact O-N 3.35Å; S176-F178 WeakPolarHBondContact OG-CD2 3.04Å | ||
| 177 | V | 44.3 | Very low | 68 | Low | 106 Ų | 106 | 47.4 Ų | 47.4 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -58.2 | -7.7 | 175 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | P175 G179 | P175-V177 PolarHBondContact O-N 2.68Å; V177-G179 PolarHBondContact O-N 3.42Å |
| 178 | F | 49.2 | Very low | 67.3 | Low | 74 Ų | 74 | 48 Ų | 48 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -72.1 | 98.3 | 174.2 | -40.5 | -44.1 | 0 | 0 | 0 | 110.2 | F33 L58 S176 | F33-F178 HydrophobicContact CD1-CE1 4.28Å; F33-F178 AromaticContact CE1-CD1 3.61Å; F33-F178 HydrophobicContact CE1-CD1 3.61Å; F33-F178 AromaticContact CE1-CE1 3.19Å; F33-F178 HydrophobicContact CE1-CE1 3.19Å; F33-F178 AromaticContact CE1-CZ 3.87Å; F33-F178 HydrophobicContact CE1-CZ 3.87Å; F33-F178 AromaticContact CE2-CD1 3.99Å; F33-F178 HydrophobicContact CE2-CD1 3.99Å; F33-F178 HydrophobicContact CE2-CE1 4.41Å; F33-F178 AromaticContact CZ-CD1 3.21Å; F33-F178 HydrophobicContact CZ-CD1 3.21Å; F33-F178 AromaticContact CZ-CE1 3.28Å; F33-F178 HydrophobicContact CZ-CE1 3.28Å; F33-F178 HydrophobicContact CZ-CG 4.24Å; F33-F178 HydrophobicContact CZ-CZ 4.34Å; L58-F178 HydrophobicContact CD1-CE2 4.31Å; S176-F178 PolarHBondContact O-N 3.35Å; S176-F178 WeakPolarHBondContact OG-CD2 3.04Å | ||
| 179 | G | 50.8 | Low | 66.4 | Low | 20 Ų | 20 | 49.8 Ų | 49.8 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -173.1 | 136.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V177 L181 | V177-G179 PolarHBondContact O-N 3.42Å; G179-L181 PolarHBondContact O-N 3.08Å; G179-L181 VanDerWaalsContact O-N 3.13Å |
| 180 | T | 66 | Low | 65.5 | Low | 57 Ų | 57 | 48.3 Ų | 48.3 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | trans | -74.6 | 107.5 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 107.9 | K146 C182 Y183 | K146-T180 PolarHBondContact NZ-OG1 3.01Å; T180-C182 PolarHBondContact O-N 2.65Å; T180-Y183 HydrophobicContact CG2-CD2 3.7Å; T180-Y183 HydrophobicContact CG2-CE2 3.59Å; T180-Y183 PolarHBondContact O-N 3.07Å | ||
| 181 | L | 72.8 | Confident | 64.8 | Low | 48 Ų | 48 | 46.8 Ų | 46.8 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -32.7 | -163.3 | -70.3 | 167.6 | 0 | 0 | 0 | 116.3 | G179 Y183 M184 V230 F234 | G179-L181 PolarHBondContact O-N 3.08Å; G179-L181 VanDerWaalsContact O-N 3.13Å; L181-Y183 VanDerWaalsContact C-N 3.33Å; L181-Y183 PolarHBondContact O-N 2.91Å; L181-M184 PolarHBondContact O-N 2.98Å; L181-V230 HydrophobicContact CD1-CG1 3.32Å; L181-F234 HydrophobicContact CB-CD2 4.03Å; L181-F234 HydrophobicContact CD2-CB 4.36Å; L181-F234 HydrophobicContact CD2-CD2 3.69Å; L181-F234 HydrophobicContact CD2-CE2 4.33Å; L181-F234 HydrophobicContact CD2-CG 4.23Å; L181-F234 HydrophobicContact CG-CD2 4.43Å; L181-F234 WeakPolarHBondContact O-CD2 3.41Å |
| 182 | C | 77.7 | Confident | 64.7 | Low | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.1 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | T180 P221 | T180-C182 PolarHBondContact O-N 2.65Å; C182-P221 HydrophobicContact CB-CB 4.49Å; C182-P221 HydrophobicContact CB-CG 3.94Å |
| 183 | Y | 86.8 | Confident | 65.2 | Low | 17 Ų | 17 | 44.7 Ų | 44.7 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -12 | 176.5 | -50.1 | -86.5 | 0 | 0 | 0 | 112.3 | K146 T180 L181 A185 Y206 S207 V210 E214 P221 | K146-Y183 HydrophobicContact CB-CD1 4.05Å; K146-Y183 HydrophobicContact CB-CD2 3.8Å; K146-Y183 HydrophobicContact CB-CE1 4.05Å; K146-Y183 HydrophobicContact CB-CE2 3.79Å; K146-Y183 HydrophobicContact CB-CG 3.92Å; K146-Y183 HydrophobicContact CD-CD2 4.39Å; K146-Y183 HydrophobicContact CD-CE2 4.43Å; T180-Y183 HydrophobicContact CG2-CD2 3.7Å; T180-Y183 HydrophobicContact CG2-CE2 3.59Å; T180-Y183 PolarHBondContact O-N 3.07Å; L181-Y183 VanDerWaalsContact C-N 3.33Å; L181-Y183 PolarHBondContact O-N 2.91Å; Y183-A185 PolarHBondContact O-N 3.09Å; Y183-Y206 VanDerWaalsContact O-CD1 3.31Å; Y183-Y206 WeakPolarHBondContact O-CD1 3.41Å; Y183-S207 WeakPolarHBondContact O-CA 3.45Å; Y183-S207 PolarHBondContact O-OG 3.24Å; Y183-V210 HydrophobicContact CD1-CB 4.2Å; Y183-V210 HydrophobicContact CD1-CG1 3.69Å; Y183-V210 HydrophobicContact CE1-CG1 4.07Å; Y183-E214 VanDerWaalsContact CE1-OE2 3.23Å; Y183-E214 WeakPolarHBondContact CE1-OE2 3.33Å; Y183-E214 VanDerWaalsContact OH-CD 3.3Å; Y183-E214 PolarHBondContact OH-OE1 3.25Å; Y183-E214 VanDerWaalsContact OH-OE1 3.11Å; Y183-E214 PolarHBondContact OH-OE2 3.22Å; Y183-P221 HydrophobicContact CE1-CG 4.39Å |
| 184 | M | 85.5 | Confident | 65.3 | Low | 19 Ų | 19 | 45.7 Ų | 45.7 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -72.5 | 125.8 | -176.2 | 175.8 | -178.7 | -61.1 | 0 | 0 | 110.6 | L181 L188 Y206 F234 | L181-M184 PolarHBondContact O-N 2.98Å; M184-L188 HydrophobicContact CG-CB 3.75Å; M184-L188 HydrophobicContact CG-CD1 3.73Å; M184-L188 HydrophobicContact CG-CG 4.4Å; M184-L188 HydrophobicContact SD-CB 4.09Å; M184-Y206 WeakPolarHBondContact O-CE1 3.29Å; M184-F234 HydrophobicContact CB-CE2 3.96Å; M184-F234 HydrophobicContact CG-CE2 3.91Å; M184-F234 HydrophobicContact CG-CZ 4.27Å; M184-F234 HydrophobicContact SD-CE2 3.77Å; M184-F234 HydrophobicContact SD-CZ 4.05Å |
| 185 | A | 86.1 | Confident | 65.7 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -62.8 | 147.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y183 E187 L188 Y206 | Y183-A185 PolarHBondContact O-N 3.09Å; A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 VanDerWaalsContact CB-CD 3.49Å; A185-E187 WeakPolarHBondContact CB-OE1 3.36Å; A185-E187 WeakPolarHBondContact CB-OE2 3.37Å; A185-E187 PolarHBondContact O-N 3.18Å; A185-L188 HydrophobicContact CB-CD1 4.41Å; A185-L188 WeakPolarHBondContact O-CB 3.36Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-L188 VanDerWaalsContact O-N 3.13Å; A185-Y206 HydrophobicContact CB-CD1 3.97Å; A185-Y206 HydrophobicContact CB-CD2 4.43Å; A185-Y206 HydrophobicContact CB-CG 3.82Å | ||
| 186 | P | 82.3 | Confident | 66 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -34.3 | -173 | 21.9 | -33.7 | 0 | 0 | 0 | 115.1 | L188 W189 Y206 I238 | P186-L188 VanDerWaalsContact C-N 3.25Å; P186-L188 PolarHBondContact O-N 3.48Å; P186-W189 PolarHBondContact O-N 3.45Å; P186-W189 VanDerWaalsContact O-N 3.17Å; P186-Y206 HydrophobicContact CG-CE2 4.43Å; P186-I238 VanDerWaalsContact CA-CD1 3.48Å; P186-I238 HydrophobicContact CB-CB 4.43Å; P186-I238 HydrophobicContact CB-CD1 3.72Å; P186-I238 HydrophobicContact CB-CG1 3.91Å; P186-I238 HydrophobicContact CB-CG2 3.7Å |
| 187 | E | 81 | Confident | 66.6 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -27.9 | 178.5 | 65.1 | -82.1 | -168.1 | 0 | 0 | 113.2 | A185 W189 T190 V191 L197 S203 P264 R267 | A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 VanDerWaalsContact CB-CD 3.49Å; A185-E187 WeakPolarHBondContact CB-OE1 3.36Å; A185-E187 WeakPolarHBondContact CB-OE2 3.37Å; A185-E187 PolarHBondContact O-N 3.18Å; E187-W189 PolarHBondContact O-N 3.04Å; E187-T190 WeakPolarHBondContact CA-OG1 3.48Å; E187-T190 PolarHBondContact O-N 3.25Å; E187-T190 PolarHBondContact O-OG1 2.99Å; E187-V191 WeakPolarHBondContact O-CG2 3.33Å; E187-V191 PolarHBondContact O-N 2.7Å; E187-V191 VanDerWaalsContact O-N 3.11Å; E187-L197 HydrophobicContact CB-CB 3.56Å; E187-L197 HydrophobicContact CB-CD1 3.97Å; E187-L197 HydrophobicContact CB-CG 4.42Å; E187-S203 PolarHBondContact OE1-OG 3.03Å; E187-P264 HydrophobicContact CB-CG 4.19Å; E187-P264 HydrophobicContact CG-CG 3.97Å; E187-R267 IonicContact OE1-CZ 3.65Å; E187-R267 IonicContact OE1-NH1 2.75Å; E187-R267 PolarHBondContact OE1-NH1 3.45Å; E187-R267 IonicContact OE1-NH2 3.88Å; E187-R267 IonicContact OE2-CZ 2.81Å; E187-R267 IonicContact OE2-NH1 3.91Å; E187-R267 PolarHBondContact OE2-NH1 3.27Å; E187-R267 IonicContact OE2-NH2 3.35Å; E187-R267 PolarHBondContact OE2-NH2 3.48Å |
| 188 | L | 74.4 | Confident | 67.5 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -25.6 | 176.8 | -81.2 | 165.9 | 0 | 0 | 0 | 111.9 | P175 M184 A185 P186 R192 Y199 | P175-L188 HydrophobicContact CB-CD2 4.46Å; M184-L188 HydrophobicContact CG-CB 3.75Å; M184-L188 HydrophobicContact CG-CD1 3.73Å; M184-L188 HydrophobicContact CG-CG 4.4Å; M184-L188 HydrophobicContact SD-CB 4.09Å; A185-L188 HydrophobicContact CB-CD1 4.41Å; A185-L188 WeakPolarHBondContact O-CB 3.36Å; A185-L188 PolarHBondContact O-N 2.89Å; A185-L188 VanDerWaalsContact O-N 3.13Å; P186-L188 VanDerWaalsContact C-N 3.25Å; P186-L188 PolarHBondContact O-N 3.48Å; L188-R192 WeakPolarHBondContact O-CG 3.07Å; L188-R192 PolarHBondContact O-N 2.94Å; L188-Y199 HydrophobicContact CD1-CD2 4.44Å; L188-Y199 HydrophobicContact CD1-CE2 4.12Å; L188-Y199 HydrophobicContact CD2-CD2 3.3Å; L188-Y199 HydrophobicContact CD2-CE2 3.44Å; L188-Y199 VanDerWaalsContact CD2-CE2 3.44Å; L188-Y199 HydrophobicContact CD2-CG 4.07Å; L188-Y199 HydrophobicContact CG-CD2 3.8Å; L188-Y199 HydrophobicContact CG-CE2 3.96Å |
| 189 | W | 66.6 | Low | 68.7 | Low | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -83.7 | -35.8 | 175.8 | -178 | -95.2 | 0 | 0 | 0 | 114 | P186 E187 V191 R192 S193 F234 W235 | P186-W189 PolarHBondContact O-N 3.45Å; P186-W189 VanDerWaalsContact O-N 3.17Å; E187-W189 PolarHBondContact O-N 3.04Å; W189-V191 PolarHBondContact O-N 3.41Å; W189-R192 VanDerWaalsContact CZ3-CZ 3.45Å; W189-R192 VanDerWaalsContact CZ3-NH1 3.3Å; W189-R192 CarbonylContact O-C 3.56Å; W189-R192 VanDerWaalsContact O-CA 3.32Å; W189-R192 WeakPolarHBondContact O-CA 3.49Å; W189-R192 VanDerWaalsContact O-CB 3.26Å; W189-R192 WeakPolarHBondContact O-CB 3.42Å; W189-R192 PolarHBondContact O-N 3.3Å; W189-S193 PolarHBondContact O-N 3.39Å; W189-F234 HydrophobicContact CB-CD1 4.24Å; W189-F234 HydrophobicContact CB-CE1 3.11Å; W189-F234 HydrophobicContact CB-CZ 3.42Å; W189-F234 VanDerWaalsContact CB-CZ 3.42Å; W189-F234 AromaticContact CD2-CD1 3.61Å; W189-F234 HydrophobicContact CD2-CD1 3.61Å; W189-F234 AromaticContact CD2-CE1 3.34Å; W189-F234 HydrophobicContact CD2-CE1 3.34Å; W189-F234 HydrophobicContact CD2-CZ 4.21Å; W189-F234 AromaticContact CE3-CD1 3.54Å; W189-F234 HydrophobicContact CE3-CD1 3.54Å; W189-F234 AromaticContact CE3-CE1 3.44Å; W189-F234 HydrophobicContact CE3-CE1 3.44Å; W189-F234 VanDerWaalsContact CE3-CE1 3.44Å; W189-F234 HydrophobicContact CE3-CG 4.21Å; W189-F234 HydrophobicContact CE3-CZ 4.02Å; W189-F234 AromaticContact CG-CD1 3.91Å; W189-F234 HydrophobicContact CG-CD1 3.91Å; W189-F234 AromaticContact CG-CE1 3.2Å; W189-F234 HydrophobicContact CG-CE1 3.2Å; W189-F234 AromaticContact CG-CZ 4Å; W189-F234 HydrophobicContact CG-CZ 4Å; W189-F234 HydrophobicContact CZ3-CD1 4.11Å; W189-F234 HydrophobicContact CZ3-CE1 4.43Å; W189-W235 AromaticContact CD1-CH2 3.51Å; W189-W235 AromaticContact CD1-CZ2 3.89Å; W189-W235 AromaticContact CD1-CZ3 3.7Å; W189-W235 HydrophobicContact CG-CH2 4.46Å; W189-W235 HydrophobicContact CG-CZ3 4.3Å; W189-W235 AromaticContact NE1-CZ2 3.95Å |
| 190 | T | 64.9 | Low | 70.4 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 171.5 | 46 | 0 | 0 | 0 | 0 | 110.2 | E187 R192 S193 G194 E195 L197 | E187-T190 WeakPolarHBondContact CA-OG1 3.48Å; E187-T190 PolarHBondContact O-N 3.25Å; E187-T190 PolarHBondContact O-OG1 2.99Å; T190-R192 PolarHBondContact O-N 3.5Å; T190-S193 WeakPolarHBondContact CA-OG 2.94Å; T190-S193 CarbonylContact O-C 3.59Å; T190-S193 PolarHBondContact O-N 2.9Å; T190-S193 PolarHBondContact O-OG 3.25Å; T190-G194 PolarHBondContact O-N 3.4Å; T190-E195 CarbonylContact C-O 3.54Å; T190-E195 WeakPolarHBondContact CB-O 3.4Å; T190-E195 HydrophobicContact CG2-CB 4.27Å; T190-E195 CarbonylContact O-C 3.56Å; T190-E195 PolarHBondContact O-N 3.21Å; T190-L197 HydrophobicContact CG2-CD1 3.97Å; T190-L197 HydrophobicContact CG2-CG 4.41Å; T190-L197 WeakPolarHBondContact OG1-CB 3.45Å |
| 191 | V | 55.7 | Low | 71.6 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | P175 E187 W189 E195 | P175-V191 HydrophobicContact CG-CB 4.26Å; P175-V191 HydrophobicContact CG-CG1 3.66Å; E187-V191 WeakPolarHBondContact O-CG2 3.33Å; E187-V191 PolarHBondContact O-N 2.7Å; E187-V191 VanDerWaalsContact O-N 3.11Å; W189-V191 PolarHBondContact O-N 3.41Å; V191-E195 PolarHBondContact N-O 2.85Å |
| 192 | R | 58.5 | Low | 72.7 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.7 | -34 | 174.7 | -64.7 | 175.2 | 64.1 | 173.3 | 0.9 | 113.9 | P175 L188 W189 T190 | P175-R192 HydrophobicContact CB-CG 4.31Å; P175-R192 HydrophobicContact CG-CG 3.95Å; L188-R192 WeakPolarHBondContact O-CG 3.07Å; L188-R192 PolarHBondContact O-N 2.94Å; W189-R192 VanDerWaalsContact CZ3-CZ 3.45Å; W189-R192 VanDerWaalsContact CZ3-NH1 3.3Å; W189-R192 CarbonylContact O-C 3.56Å; W189-R192 VanDerWaalsContact O-CA 3.32Å; W189-R192 WeakPolarHBondContact O-CA 3.49Å; W189-R192 VanDerWaalsContact O-CB 3.26Å; W189-R192 WeakPolarHBondContact O-CB 3.42Å; W189-R192 PolarHBondContact O-N 3.3Å; T190-R192 PolarHBondContact O-N 3.5Å |
| 193 | S | 63.9 | Low | 73.4 | Confident | 70 Ų | 70 | 49 Ų | 49 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -79.3 | -7.2 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | W189 T190 | W189-S193 PolarHBondContact O-N 3.39Å; T190-S193 WeakPolarHBondContact CA-OG 2.94Å; T190-S193 CarbonylContact O-C 3.59Å; T190-S193 PolarHBondContact O-N 2.9Å; T190-S193 PolarHBondContact O-OG 3.25Å |
| 194 | G | 58.6 | Low | 73.8 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 64% | 0.639 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 1.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T190 | T190-G194 PolarHBondContact O-N 3.4Š|
| 195 | E | 57.8 | Low | 74.3 | Confident | 130 Ų | 130 | 47.2 Ų | 47.2 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | trans | -84.9 | 125.3 | 173.8 | -73.7 | -173 | 159.7 | 0 | 0 | 111.2 | T190 V191 L197 | T190-E195 CarbonylContact C-O 3.54Å; T190-E195 WeakPolarHBondContact CB-O 3.4Å; T190-E195 HydrophobicContact CG2-CB 4.27Å; T190-E195 CarbonylContact O-C 3.56Å; T190-E195 PolarHBondContact O-N 3.21Å; V191-E195 PolarHBondContact N-O 2.85Å; E195-L197 PolarHBondContact O-N 2.79Å | ||
| 196 | K | 54.8 | Low | 74.7 | Confident | 203 Ų | 203 | 47.4 Ų | 47.4 | 88% | 0.883 | 25% | 0.253 | S | S | * | . | trans | -84.6 | 67.9 | -173.7 | -63.6 | -177.4 | 179.9 | -179.2 | 0 | 112.6 | ||||
| 197 | L | 59.8 | Low | 75.3 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | trans | -73.4 | 124.6 | 152.1 | -70.1 | 176 | 0 | 0 | 0 | 107.1 | E187 T190 E195 Y199 | E187-L197 HydrophobicContact CB-CB 3.56Å; E187-L197 HydrophobicContact CB-CD1 3.97Å; E187-L197 HydrophobicContact CB-CG 4.42Å; T190-L197 HydrophobicContact CG2-CD1 3.97Å; T190-L197 HydrophobicContact CG2-CG 4.41Å; T190-L197 WeakPolarHBondContact OG1-CB 3.45Å; E195-L197 PolarHBondContact O-N 2.79Å; L197-Y199 PolarHBondContact O-N 3.15Å | ||
| 198 | P | 64.5 | Low | 76.1 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | trans | -63.5 | 115.4 | -179.5 | 23.9 | -30.5 | 0 | 0 | 0 | 108.9 | ||||
| 199 | Y | 73.1 | Confident | 77.1 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | trans | -60.4 | 141.5 | 164.9 | 171.6 | -115.8 | 0 | 0 | 0 | 109.1 | I141 A143 L171 L188 L197 S203 | I141-Y199 HydrophobicContact CB-CE1 4.43Å; I141-Y199 WeakPolarHBondContact CB-OH 3.35Å; I141-Y199 HydrophobicContact CD1-CD1 3.99Å; I141-Y199 HydrophobicContact CD1-CE1 3.38Å; I141-Y199 HydrophobicContact CD1-CE2 4.45Å; I141-Y199 HydrophobicContact CG1-CE1 4.48Å; I141-Y199 HydrophobicContact CG2-CE1 4.5Å; I141-Y199 HydrophobicContact CG2-CE2 4.27Å; I141-Y199 WeakPolarHBondContact CG2-OH 3.48Å; A143-Y199 WeakPolarHBondContact CB-OH 3.26Å; L171-Y199 HydrophobicContact CD2-CD1 3.87Å; L171-Y199 WeakPolarHBondContact CD2-O 3.35Å; L188-Y199 HydrophobicContact CD1-CD2 4.44Å; L188-Y199 HydrophobicContact CD1-CE2 4.12Å; L188-Y199 HydrophobicContact CD2-CD2 3.3Å; L188-Y199 HydrophobicContact CD2-CE2 3.44Å; L188-Y199 VanDerWaalsContact CD2-CE2 3.44Å; L188-Y199 HydrophobicContact CD2-CG 4.07Å; L188-Y199 HydrophobicContact CG-CD2 3.8Å; L188-Y199 HydrophobicContact CG-CE2 3.96Å; L197-Y199 PolarHBondContact O-N 3.15Å; Y199-S203 VanDerWaalsContact CD2-OG 3.26Å; Y199-S203 WeakPolarHBondContact CD2-OG 3.46Å; Y199-S203 WeakPolarHBondContact CE2-OG 3.48Å | ||
| 200 | S | 87 | Confident | 78.4 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | trans | -158.8 | 178.6 | 179.6 | 101 | 0 | 0 | 0 | 0 | 110.9 | I141 K202 S203 | I141-S200 VanDerWaalsContact CD1-C 3.46Å; S200-K202 PolarHBondContact O-N 3.24Å; S200-K202 WeakPolarHBondContact OG-CB 3.36Å; S200-K202 WeakPolarHBondContact OG-CG 3.33Å; S200-K202 PolarHBondContact OG-N 3.46Å; S200-K202 VanDerWaalsContact OG-N 3.09Å; S200-S203 WeakPolarHBondContact O-CB 3.44Å; S200-S203 PolarHBondContact O-N 3.05Å; S200-S203 PolarHBondContact O-OG 3.17Å | ||
| 201 | E | 92.7 | Very high | 79.8 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -20.5 | 171.1 | 82.5 | -66.5 | 163.7 | 0 | 0 | 113.6 | H133 I141 S203 D204 | H133-E201 HydrophobicContact CB-CB 4.21Å; H133-E201 HydrophobicContact CB-CG 4.41Å; H133-E201 PolarHBondContact CE1-O 3.44Å; I141-E201 HydrophobicContact CG1-CB 4.39Å; E201-S203 PolarHBondContact O-N 3.31Å; E201-D204 WeakPolarHBondContact O-CB 3.39Å; E201-D204 PolarHBondContact O-N 3.26Å; E201-D204 VanDerWaalsContact O-N 3.13Å |
| 202 | K | 94.3 | Very high | 81.7 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 10% | 0.1 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -17 | 173.7 | -61.8 | -54 | -173.1 | 74.1 | 0 | 114 | S200 V205 Y206 P264 R267 P268 | S200-K202 PolarHBondContact O-N 3.24Å; S200-K202 WeakPolarHBondContact OG-CB 3.36Å; S200-K202 WeakPolarHBondContact OG-CG 3.33Å; S200-K202 PolarHBondContact OG-N 3.46Å; S200-K202 VanDerWaalsContact OG-N 3.09Å; K202-V205 HydrophobicContact CD-CG2 4.31Å; K202-V205 PolarHBondContact O-N 2.99Å; K202-Y206 PolarHBondContact O-N 2.85Å; K202-P264 HydrophobicContact CB-CB 3.89Å; K202-P264 HydrophobicContact CG-CB 4.4Å; K202-P264 PolarHBondContact NZ-O 2.94Å; K202-R267 HydrophobicContact CD-CB 4.28Å; K202-R267 PolarHBondContact NZ-O 2.93Å; K202-R267 WeakPolarHBondContact O-CD 3.43Å; K202-R267 PolarHBondContact O-NH1 3.04Å; K202-P268 WeakPolarHBondContact CD-O 3.32Å |
| 203 | S | 92.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.2 | -32.8 | 172.4 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | E187 Y199 S200 E201 V205 Y206 S207 | E187-S203 PolarHBondContact OE1-OG 3.03Å; Y199-S203 VanDerWaalsContact CD2-OG 3.26Å; Y199-S203 WeakPolarHBondContact CD2-OG 3.46Å; Y199-S203 WeakPolarHBondContact CE2-OG 3.48Å; S200-S203 WeakPolarHBondContact O-CB 3.44Å; S200-S203 PolarHBondContact O-N 3.05Å; S200-S203 PolarHBondContact O-OG 3.17Å; E201-S203 PolarHBondContact O-N 3.31Å; S203-V205 VanDerWaalsContact C-N 3.33Å; S203-Y206 PolarHBondContact O-N 3.41Å; S203-S207 PolarHBondContact O-N 2.7Å; S203-S207 VanDerWaalsContact O-N 3.11Å; S203-S207 PolarHBondContact O-OG 2.99Å |
| 204 | D | 95.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | 172.7 | -76.4 | -13.2 | 0 | 0 | 0 | 110.9 | H133 I141 H142 A143 I145 E201 Y206 S207 L208 M270 | H133-D204 IonicContact CD2-OD2 3.7Å; H133-D204 IonicContact CE1-OD2 2.75Å; H133-D204 IonicContact NE2-OD2 3.43Å; H133-D204 PolarHBondContact NE2-OD2 3.38Å; I141-D204 WeakPolarHBondContact CG2-OD1 3.49Å; I141-D204 WeakPolarHBondContact CG2-OD2 3.46Å; H142-D204 PolarHBondContact N-OD1 2.99Å; H142-D204 PolarHBondContact N-OD2 2.89Å; A143-D204 WeakPolarHBondContact CA-OD1 3.2Å; A143-D204 PolarHBondContact N-OD1 3.21Å; I145-D204 HydrophobicContact CD1-CB 3.68Å; E201-D204 WeakPolarHBondContact O-CB 3.39Å; E201-D204 PolarHBondContact O-N 3.26Å; E201-D204 VanDerWaalsContact O-N 3.13Å; D204-Y206 VanDerWaalsContact C-N 3.34Å; D204-Y206 PolarHBondContact O-N 3.37Å; D204-S207 PolarHBondContact O-N 3.29Å; D204-L208 WeakPolarHBondContact O-CB 3.36Å; D204-L208 PolarHBondContact O-N 3.27Å; D204-M270 HydrophobicContact CB-CE 3.72Å; D204-M270 WeakPolarHBondContact O-CE 3.34Å |
| 205 | V | 97 | Very high | 86.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | K202 S203 S207 L208 T209 R267 P268 M270 | K202-V205 HydrophobicContact CD-CG2 4.31Å; K202-V205 PolarHBondContact O-N 2.99Å; S203-V205 VanDerWaalsContact C-N 3.33Å; V205-S207 PolarHBondContact O-N 3.06Å; V205-L208 PolarHBondContact O-N 3.21Å; V205-T209 PolarHBondContact O-N 3.44Å; V205-T209 PolarHBondContact O-OG1 3.13Å; V205-R267 HydrophobicContact CG1-CB 4.21Å; V205-P268 HydrophobicContact CG1-CG 4.22Å; V205-P268 WeakPolarHBondContact CG2-O 3.49Å; V205-M270 HydrophobicContact CB-CE 4.43Å; V205-M270 HydrophobicContact CG2-CE 4.03Å; V205-M270 HydrophobicContact CG2-CG 4Å; V205-M270 HydrophobicContact CG2-SD 4.03Å |
| 206 | Y | 94.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 174.3 | 179.7 | -78.9 | 0 | 0 | 0 | 111.5 | Y183 M184 A185 P186 K202 S203 D204 L208 T209 V210 G259 W260 | Y183-Y206 VanDerWaalsContact O-CD1 3.31Å; Y183-Y206 WeakPolarHBondContact O-CD1 3.41Å; M184-Y206 WeakPolarHBondContact O-CE1 3.29Å; A185-Y206 HydrophobicContact CB-CD1 3.97Å; A185-Y206 HydrophobicContact CB-CD2 4.43Å; A185-Y206 HydrophobicContact CB-CG 3.82Å; P186-Y206 HydrophobicContact CG-CE2 4.43Å; K202-Y206 PolarHBondContact O-N 2.85Å; S203-Y206 PolarHBondContact O-N 3.41Å; D204-Y206 VanDerWaalsContact C-N 3.34Å; D204-Y206 PolarHBondContact O-N 3.37Å; Y206-L208 VanDerWaalsContact C-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.41Å; Y206-T209 PolarHBondContact O-N 3.47Å; Y206-T209 PolarHBondContact O-OG1 2.97Å; Y206-V210 HydrophobicContact CD1-CG2 4.01Å; Y206-V210 HydrophobicContact CE1-CG2 3.58Å; Y206-V210 WeakPolarHBondContact O-CG2 3.34Å; Y206-V210 PolarHBondContact O-N 3.24Å; Y206-G259 WeakPolarHBondContact CA-O 3.32Å; Y206-W260 HydrophobicContact CD2-CB 3.73Å; Y206-W260 HydrophobicContact CE2-CB 3.74Å; Y206-W260 WeakPolarHBondContact CE2-O 3.43Å; Y206-W260 HydrophobicContact CG-CB 4.42Å |
| 207 | S | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | -178.3 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | I145 Y183 S203 D204 V205 T211 | I145-S207 WeakPolarHBondContact O-CB 3.46Å; Y183-S207 WeakPolarHBondContact O-CA 3.45Å; Y183-S207 PolarHBondContact O-OG 3.24Å; S203-S207 PolarHBondContact O-N 2.7Å; S203-S207 VanDerWaalsContact O-N 3.11Å; S203-S207 PolarHBondContact O-OG 2.99Å; D204-S207 PolarHBondContact O-N 3.29Å; V205-S207 PolarHBondContact O-N 3.06Å; S207-T211 WeakPolarHBondContact O-CB 3.5Å; S207-T211 PolarHBondContact O-N 2.67Å; S207-T211 PolarHBondContact O-OG1 2.95Å |
| 208 | L | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69 | -37.4 | 178.1 | -176.5 | 58.8 | 0 | 0 | 0 | 112.8 | I122 I125 I145 D204 V205 Y206 T211 F212 M270 L273 | I122-L208 HydrophobicContact CD1-CD1 3.71Å; I122-L208 HydrophobicContact CD1-CG 4.45Å; I122-L208 HydrophobicContact CG2-CD1 4.37Å; I122-L208 HydrophobicContact CG2-CD2 4.28Å; I122-L208 HydrophobicContact CG2-CG 4.23Å; I125-L208 HydrophobicContact CB-CD1 3.97Å; I125-L208 HydrophobicContact CG2-CD1 3.69Å; I125-L208 HydrophobicContact CG2-CD2 4.37Å; I145-L208 HydrophobicContact CG2-CB 4.33Å; I145-L208 HydrophobicContact CG2-CD1 4.24Å; D204-L208 WeakPolarHBondContact O-CB 3.36Å; D204-L208 PolarHBondContact O-N 3.27Å; V205-L208 PolarHBondContact O-N 3.21Å; Y206-L208 VanDerWaalsContact C-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.41Å; L208-T211 WeakPolarHBondContact O-CB 3.31Å; L208-T211 PolarHBondContact O-N 3.32Å; L208-F212 WeakPolarHBondContact O-CB 3.35Å; L208-F212 PolarHBondContact O-N 2.94Å; L208-M270 HydrophobicContact CB-CE 3.97Å; L208-M270 HydrophobicContact CD2-CE 3.81Å; L208-M270 HydrophobicContact CD2-SD 3.69Å; L208-L273 HydrophobicContact CD2-CD2 3.78Å; L208-L273 HydrophobicContact CG-CD2 4.46Å |
| 209 | T | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -76.9 | -30 | 178.1 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | V205 Y206 T211 F212 W213 G259 W260 | V205-T209 PolarHBondContact O-N 3.44Å; V205-T209 PolarHBondContact O-OG1 3.13Å; Y206-T209 PolarHBondContact O-N 3.47Å; Y206-T209 PolarHBondContact O-OG1 2.97Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-F212 PolarHBondContact O-N 3.09Å; T209-W213 PolarHBondContact O-N 3.09Å; T209-G259 VanDerWaalsContact OG1-C 3.22Å; T209-W260 PolarHBondContact OG1-N 3.46Å |
| 210 | V | 92.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 166.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | Y183 Y206 F212 W213 E214 P221 W260 | Y183-V210 HydrophobicContact CD1-CB 4.2Å; Y183-V210 HydrophobicContact CD1-CG1 3.69Å; Y183-V210 HydrophobicContact CE1-CG1 4.07Å; Y206-V210 HydrophobicContact CD1-CG2 4.01Å; Y206-V210 HydrophobicContact CE1-CG2 3.58Å; Y206-V210 WeakPolarHBondContact O-CG2 3.34Å; Y206-V210 PolarHBondContact O-N 3.24Å; V210-F212 VanDerWaalsContact C-N 3.33Å; V210-F212 PolarHBondContact O-N 3.01Å; V210-W213 PolarHBondContact O-N 3.22Å; V210-E214 PolarHBondContact O-N 2.97Å; V210-P221 HydrophobicContact CG1-CB 4.14Å; V210-P221 HydrophobicContact CG1-CG 4.02Å; V210-W260 HydrophobicContact CG2-CE3 4Å |
| 211 | T | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 174.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | P147 I150 S207 L208 T209 E214 F215 | P147-T211 HydrophobicContact CG-CG2 4.02Å; I150-T211 HydrophobicContact CD1-CG2 3.75Å; S207-T211 WeakPolarHBondContact O-CB 3.5Å; S207-T211 PolarHBondContact O-N 2.67Å; S207-T211 PolarHBondContact O-OG1 2.95Å; L208-T211 WeakPolarHBondContact O-CB 3.31Å; L208-T211 PolarHBondContact O-N 3.32Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T211-E214 PolarHBondContact O-N 2.76Å; T211-F215 HydrophobicContact CG2-CD2 4.26Å; T211-F215 HydrophobicContact CG2-CE1 4.22Å; T211-F215 HydrophobicContact CG2-CE2 3.5Å; T211-F215 HydrophobicContact CG2-CZ 3.45Å; T211-F215 VanDerWaalsContact CG2-CZ 3.45Å; T211-F215 WeakPolarHBondContact O-CD2 3.45Å; T211-F215 WeakPolarHBondContact O-CG 3.45Å; T211-F215 PolarHBondContact O-N 3.33Å; T211-F215 VanDerWaalsContact O-N 3.07Å |
| 212 | F | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.7 | -173.6 | -169.5 | 0 | 0 | 0 | 111.4 | T118 L119 I122 L208 T209 V210 E214 F215 L216 L252 I255 I256 L277 | T118-F212 HydrophobicContact CG2-CD2 3.61Å; T118-F212 HydrophobicContact CG2-CE2 3.55Å; L119-F212 HydrophobicContact CD2-CE1 4.47Å; L119-F212 HydrophobicContact CD2-CE2 4.28Å; L119-F212 HydrophobicContact CD2-CZ 3.63Å; I122-F212 HydrophobicContact CD1-CB 3.65Å; I122-F212 HydrophobicContact CD1-CD2 4.3Å; I122-F212 HydrophobicContact CD1-CG 4.08Å; I122-F212 HydrophobicContact CG1-CB 3.84Å; I122-F212 HydrophobicContact CG1-CD1 4.28Å; I122-F212 HydrophobicContact CG1-CD2 3.65Å; I122-F212 HydrophobicContact CG1-CE2 4.28Å; I122-F212 HydrophobicContact CG1-CG 3.67Å; I122-F212 HydrophobicContact CG2-CD1 4.24Å; I122-F212 HydrophobicContact CG2-CG 4.38Å; L208-F212 WeakPolarHBondContact O-CB 3.35Å; L208-F212 PolarHBondContact O-N 2.94Å; T209-F212 PolarHBondContact O-N 3.09Å; V210-F212 VanDerWaalsContact C-N 3.33Å; V210-F212 PolarHBondContact O-N 3.01Å; F212-E214 VanDerWaalsContact C-N 3.3Å; F212-E214 PolarHBondContact O-N 3.05Å; F212-F215 PolarHBondContact O-N 3.35Å; F212-L216 HydrophobicContact CD2-CD1 4.15Å; F212-L216 HydrophobicContact CD2-CG 4Å; F212-L216 HydrophobicContact CE2-CD1 3.76Å; F212-L216 HydrophobicContact CE2-CD2 3.91Å; F212-L216 HydrophobicContact CE2-CG 3.79Å; F212-L216 HydrophobicContact CZ-CD1 4.2Å; F212-L216 PolarHBondContact O-N 3.44Å; F212-L216 VanDerWaalsContact O-N 3.14Å; F212-L252 HydrophobicContact CZ-CD1 4.38Å; F212-L252 HydrophobicContact CZ-CD2 4.18Å; F212-I255 HydrophobicContact CE1-CG2 4.41Å; F212-I256 HydrophobicContact CD1-CD1 3.99Å; F212-I256 HydrophobicContact CD1-CG1 3.6Å; F212-I256 HydrophobicContact CE1-CD1 4.23Å; F212-I256 HydrophobicContact CE1-CG1 4.02Å; F212-I256 HydrophobicContact CG-CD1 4.19Å; F212-I256 HydrophobicContact CG-CG1 4.15Å; F212-L277 HydrophobicContact CE1-CD2 4.45Å |
| 213 | W | 94.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 175.4 | -179.9 | 91.6 | 0 | 0 | 0 | 111.9 | T209 V210 F215 L216 A217 E219 P221 P242 P243 L245 I256 W260 | T209-W213 PolarHBondContact O-N 3.09Å; V210-W213 PolarHBondContact O-N 3.22Å; W213-F215 VanDerWaalsContact C-N 3.31Å; W213-F215 PolarHBondContact O-N 3.19Å; W213-L216 PolarHBondContact O-N 2.77Å; W213-L216 VanDerWaalsContact O-N 3.08Å; W213-A217 HydrophobicContact CD2-CB 4.07Å; W213-A217 HydrophobicContact CE3-CB 3.92Å; W213-A217 HydrophobicContact CH2-CB 3.5Å; W213-A217 HydrophobicContact CZ2-CB 3.69Å; W213-A217 HydrophobicContact CZ3-CB 3.62Å; W213-A217 VanDerWaalsContact O-CB 3.3Å; W213-A217 WeakPolarHBondContact O-CB 3.46Å; W213-A217 PolarHBondContact O-N 2.87Å; W213-E219 HydrophobicContact CH2-CG 4.27Å; W213-P221 HydrophobicContact CE3-CB 4.36Å; W213-P221 HydrophobicContact CZ3-CB 4.18Å; W213-P242 HydrophobicContact CD2-CB 3.36Å; W213-P242 HydrophobicContact CD2-CG 4.07Å; W213-P242 HydrophobicContact CE3-CB 3.74Å; W213-P242 HydrophobicContact CE3-CG 4.16Å; W213-P242 HydrophobicContact CG-CB 3.94Å; W213-P242 HydrophobicContact CG-CG 4.49Å; W213-P242 HydrophobicContact CH2-CB 3.89Å; W213-P242 HydrophobicContact CZ2-CB 3.48Å; W213-P242 VanDerWaalsContact CZ2-CB 3.48Å; W213-P242 HydrophobicContact CZ3-CB 4Å; W213-P243 HydrophobicContact CZ2-CG 4.11Å; W213-P243 PolarHBondContact NE1-O 3.21Å; W213-L245 HydrophobicContact CG-CD1 4.44Å; W213-L245 HydrophobicContact CZ2-CD2 3.82Å; W213-I256 HydrophobicContact CB-CD1 4.48Å; W213-I256 HydrophobicContact CB-CG2 4.18Å; W213-W260 HydrophobicContact CB-CE3 4.48Å; W213-W260 HydrophobicContact CB-CH2 3.93Å; W213-W260 HydrophobicContact CB-CZ3 3.45Å; W213-W260 VanDerWaalsContact CB-CZ3 3.45Å; W213-W260 AromaticContact CD1-CH2 3.37Å; W213-W260 AromaticContact CD1-CZ3 3.83Å; W213-W260 HydrophobicContact CD2-CZ3 4.45Å; W213-W260 AromaticContact CG-CH2 3.66Å; W213-W260 HydrophobicContact CG-CH2 3.66Å; W213-W260 AromaticContact CG-CZ3 3.61Å; W213-W260 HydrophobicContact CG-CZ3 3.61Å |
| 214 | E | 93.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | 178.8 | -178.5 | 173.9 | -154.1 | 0 | 0 | 112.3 | L105 Y106 P147 Y183 V210 T211 F212 L216 A217 R218 P221 | L105-E214 HydrophobicContact CD1-CG 3.99Å; Y106-E214 WeakPolarHBondContact OH-CG 3.07Å; Y106-E214 PolarHBondContact OH-OE1 3.08Å; P147-E214 WeakPolarHBondContact CD-OE2 3.4Å; P147-E214 WeakPolarHBondContact CG-OE2 3.4Å; Y183-E214 VanDerWaalsContact CE1-OE2 3.23Å; Y183-E214 WeakPolarHBondContact CE1-OE2 3.33Å; Y183-E214 VanDerWaalsContact OH-CD 3.3Å; Y183-E214 PolarHBondContact OH-OE1 3.25Å; Y183-E214 VanDerWaalsContact OH-OE1 3.11Å; Y183-E214 PolarHBondContact OH-OE2 3.22Å; V210-E214 PolarHBondContact O-N 2.97Å; T211-E214 PolarHBondContact O-N 2.76Å; F212-E214 VanDerWaalsContact C-N 3.3Å; F212-E214 PolarHBondContact O-N 3.05Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 3.43Å; E214-A217 PolarHBondContact O-N 2.66Å; E214-R218 WeakPolarHBondContact O-CA 3.41Å; E214-R218 PolarHBondContact O-N 3.11Å; E214-P221 WeakPolarHBondContact OE1-CD 3.43Å |
| 215 | F | 94.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 173.6 | -63.8 | -32.8 | 0 | 0 | 0 | 113 | L101 L105 Y113 T118 W121 I122 P147 I150 T211 F212 W213 | L101-F215 HydrophobicContact CB-CE1 3.81Å; L101-F215 HydrophobicContact CB-CZ 3.88Å; L101-F215 HydrophobicContact CD1-CE1 3.98Å; L101-F215 HydrophobicContact CD1-CE2 3.88Å; L101-F215 HydrophobicContact CD1-CZ 3.35Å; L101-F215 HydrophobicContact CG-CZ 4.27Å; L105-F215 HydrophobicContact CD1-CD1 3.78Å; L105-F215 HydrophobicContact CD1-CE1 3.78Å; L105-F215 HydrophobicContact CD2-CD1 4.21Å; L105-F215 HydrophobicContact CG-CD1 4.12Å; L105-F215 HydrophobicContact CG-CE1 4.34Å; Y113-F215 HydrophobicContact CE2-CB 4.42Å; Y113-F215 WeakPolarHBondContact CE2-O 3.34Å; Y113-F215 WeakPolarHBondContact OH-CA 3.39Å; Y113-F215 PolarHBondContact OH-O 2.66Å; T118-F215 HydrophobicContact CG2-CB 3.45Å; T118-F215 VanDerWaalsContact CG2-CB 3.45Å; T118-F215 HydrophobicContact CG2-CD2 3.99Å; T118-F215 HydrophobicContact CG2-CG 4.16Å; W121-F215 HydrophobicContact CE3-CD2 4.34Å; W121-F215 HydrophobicContact CE3-CE2 4.4Å; I122-F215 HydrophobicContact CD1-CD2 3.83Å; I122-F215 HydrophobicContact CD1-CE2 3.79Å; I122-F215 HydrophobicContact CG1-CD2 4.39Å; P147-F215 HydrophobicContact CB-CE1 4.06Å; P147-F215 HydrophobicContact CB-CZ 4.42Å; P147-F215 HydrophobicContact CG-CE1 4Å; P147-F215 HydrophobicContact CG-CZ 4.36Å; I150-F215 HydrophobicContact CD1-CE2 4.44Å; I150-F215 HydrophobicContact CD1-CZ 4.15Å; T211-F215 HydrophobicContact CG2-CD2 4.26Å; T211-F215 HydrophobicContact CG2-CE1 4.22Å; T211-F215 HydrophobicContact CG2-CE2 3.5Å; T211-F215 HydrophobicContact CG2-CZ 3.45Å; T211-F215 VanDerWaalsContact CG2-CZ 3.45Å; T211-F215 WeakPolarHBondContact O-CD2 3.45Å; T211-F215 WeakPolarHBondContact O-CG 3.45Å; T211-F215 PolarHBondContact O-N 3.33Å; T211-F215 VanDerWaalsContact O-N 3.07Å; F212-F215 PolarHBondContact O-N 3.35Å; W213-F215 VanDerWaalsContact C-N 3.31Å; W213-F215 PolarHBondContact O-N 3.19Å |
| 216 | L | 93.1 | Very high | 83 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.2 | -40.1 | 177.2 | -63.9 | -178.2 | 0 | 0 | 0 | 111.8 | L115 T118 F212 W213 E214 R218 L245 I256 | L115-L216 HydrophobicContact CD1-CD2 3.72Å; T118-L216 HydrophobicContact CG2-CD2 4.07Å; F212-L216 HydrophobicContact CD2-CD1 4.15Å; F212-L216 HydrophobicContact CD2-CG 4Å; F212-L216 HydrophobicContact CE2-CD1 3.76Å; F212-L216 HydrophobicContact CE2-CD2 3.91Å; F212-L216 HydrophobicContact CE2-CG 3.79Å; F212-L216 HydrophobicContact CZ-CD1 4.2Å; F212-L216 PolarHBondContact O-N 3.44Å; F212-L216 VanDerWaalsContact O-N 3.14Å; W213-L216 PolarHBondContact O-N 2.77Å; W213-L216 VanDerWaalsContact O-N 3.08Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 3.43Å; L216-R218 VanDerWaalsContact C-N 3.35Å; L216-L245 HydrophobicContact CB-CD1 3.32Å; L216-L245 HydrophobicContact CD1-CD1 4.28Å; L216-L245 HydrophobicContact CG-CD1 4.46Å; L216-I256 HydrophobicContact CD1-CD1 3.62Å |
| 217 | A | 90.8 | Very high | 80.8 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.5 | -27.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W213 E214 E219 L245 | W213-A217 HydrophobicContact CD2-CB 4.07Å; W213-A217 HydrophobicContact CE3-CB 3.92Å; W213-A217 HydrophobicContact CH2-CB 3.5Å; W213-A217 HydrophobicContact CZ2-CB 3.69Å; W213-A217 HydrophobicContact CZ3-CB 3.62Å; W213-A217 VanDerWaalsContact O-CB 3.3Å; W213-A217 WeakPolarHBondContact O-CB 3.46Å; W213-A217 PolarHBondContact O-N 2.87Å; E214-A217 PolarHBondContact O-N 2.66Å; A217-E219 HydrophobicContact CB-CG 3.88Å; A217-E219 PolarHBondContact O-N 3.07Å; A217-L245 HydrophobicContact CB-CD1 4.21Å; A217-L245 HydrophobicContact CB-CD2 3.75Å |
| 218 | R | 90.4 | Very high | 78.8 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 37% | 0.366 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 26.1 | -171.5 | -65 | 176.3 | 164 | -82.6 | -7.6 | 113.1 | Y113 E214 L216 | Y113-R218 VanDerWaalsContact CE1-NH2 3.32Å; Y113-R218 PolarHBondContact O-NH2 3.21Å; Y113-R218 WeakPolarHBondContact OH-CG 3.5Å; E214-R218 WeakPolarHBondContact O-CA 3.41Å; E214-R218 PolarHBondContact O-N 3.11Å; L216-R218 VanDerWaalsContact C-N 3.35Å |
| 219 | E | 87.2 | Confident | 77 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -146.2 | 150.1 | 179.1 | 65.3 | 169.9 | -169 | 0 | 0 | 110.7 | W213 A217 K223 | W213-E219 HydrophobicContact CH2-CG 4.27Å; A217-E219 HydrophobicContact CB-CG 3.88Å; A217-E219 PolarHBondContact O-N 3.07Å; E219-K223 HydrophobicContact CB-CD 4.44Å |
| 220 | P | 82.4 | Confident | 75.3 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | trans | -72.5 | 142.5 | -171.2 | 30.4 | -37 | 0 | 0 | 0 | 110.2 | Y106 N222 K223 | Y106-P220 VanDerWaalsContact OH-CA 3.3Å; Y106-P220 WeakPolarHBondContact OH-CA 3.26Å; P220-N222 VanDerWaalsContact CB-OD1 3.31Å; P220-N222 WeakPolarHBondContact CB-OD1 3.38Å; P220-N222 WeakPolarHBondContact CG-OD1 3.43Å; P220-N222 PolarHBondContact O-N 2.93Å; P220-K223 HydrophobicContact CG-CD 4.26Å; P220-K223 HydrophobicContact CG-CG 3.99Å; P220-K223 PolarHBondContact O-N 3.37Å; P220-K223 VanDerWaalsContact O-N 3.1Å | ||
| 221 | P | 77.2 | Confident | 73.7 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -61.3 | -20.7 | -176.5 | 25 | -35.1 | 0 | 0 | 0 | 112.5 | C182 Y183 V210 W213 E214 P242 | C182-P221 HydrophobicContact CB-CB 4.49Å; C182-P221 HydrophobicContact CB-CG 3.94Å; Y183-P221 HydrophobicContact CE1-CG 4.39Å; V210-P221 HydrophobicContact CG1-CB 4.14Å; V210-P221 HydrophobicContact CG1-CG 4.02Å; W213-P221 HydrophobicContact CE3-CB 4.36Å; W213-P221 HydrophobicContact CZ3-CB 4.18Å; E214-P221 WeakPolarHBondContact OE1-CD 3.43Å; P221-P242 HydrophobicContact CB-CG 4.41Å |
| 222 | N | 68.3 | Low | 72.1 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -81.3 | -10 | -179.3 | 70.7 | -3 | 0 | 0 | 0 | 115.2 | P220 I224 L225 | P220-N222 VanDerWaalsContact CB-OD1 3.31Å; P220-N222 WeakPolarHBondContact CB-OD1 3.38Å; P220-N222 WeakPolarHBondContact CG-OD1 3.43Å; P220-N222 PolarHBondContact O-N 2.93Å; N222-I224 PolarHBondContact O-N 3.29Å; N222-I224 VanDerWaalsContact O-N 3.14Å; N222-L225 HydrophobicContact CB-CD1 3.73Å; N222-L225 HydrophobicContact CB-CG 4.39Å; N222-L225 WeakPolarHBondContact O-CA 3.33Å; N222-L225 WeakPolarHBondContact O-CB 3.42Å; N222-L225 PolarHBondContact O-N 3.38Å |
| 223 | K | 61.5 | Low | 70.3 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -60.3 | -23.9 | 175.9 | -96.5 | -177.8 | -174.7 | 176.7 | 0 | 112.4 | E219 P220 L225 | E219-K223 HydrophobicContact CB-CD 4.44Å; P220-K223 HydrophobicContact CG-CD 4.26Å; P220-K223 HydrophobicContact CG-CG 3.99Å; P220-K223 PolarHBondContact O-N 3.37Å; P220-K223 VanDerWaalsContact O-N 3.1Å; K223-L225 PolarHBondContact O-N 3.14Å |
| 224 | I | 49.8 | Very low | 68.6 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -65.7 | -24.8 | 173.2 | -55.4 | 168.1 | 0 | 0 | 0 | 110.7 | N222 K226 P242 | N222-I224 PolarHBondContact O-N 3.29Å; N222-I224 VanDerWaalsContact O-N 3.14Å; I224-K226 PolarHBondContact O-N 3.34Å; I224-P242 HydrophobicContact CD1-CB 4.08Å |
| 225 | L | 47.8 | Very low | 66.9 | Low | 20 Ų | 20 | 76.6 Ų | 76.6 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | trans | -94.5 | 68.3 | -169.5 | -46.7 | 171 | 0 | 0 | 0 | 111.6 | N222 K223 R227 K233 S236 S237 | N222-L225 HydrophobicContact CB-CD1 3.73Å; N222-L225 HydrophobicContact CB-CG 4.39Å; N222-L225 WeakPolarHBondContact O-CA 3.33Å; N222-L225 WeakPolarHBondContact O-CB 3.42Å; N222-L225 PolarHBondContact O-N 3.38Å; K223-L225 PolarHBondContact O-N 3.14Å; L225-R227 PolarHBondContact O-N 2.81Å; L225-K233 HydrophobicContact CB-CG 4.32Å; L225-K233 HydrophobicContact CD1-CB 4.44Å; L225-S236 WeakPolarHBondContact CD2-OG 3.45Å; L225-S237 WeakPolarHBondContact CD1-OG 3.03Å | ||
| 226 | K | 45.5 | Very low | 65.4 | Low | 202 Ų | 202 | 76.8 Ų | 76.8 | 88% | 0.878 | 36% | 0.358 | S | S | * | . | trans | -69.8 | 38.6 | 171.1 | -70.1 | -173.6 | 178.6 | 177.2 | 0 | 113.8 | I224 | I224-K226 PolarHBondContact O-N 3.34Š| ||
| 227 | R | 48.9 | Very low | 63.7 | Low | 136 Ų | 136 | 75.2 Ų | 75.2 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | trans | -122.7 | 148.1 | -178.1 | -65.3 | -165.9 | -179.7 | -178.8 | 3 | 112.5 | L225 D232 K233 | L225-R227 PolarHBondContact O-N 2.81Å; R227-D232 HydrophobicContact CB-CB 4.43Å; R227-K233 WeakPolarHBondContact O-CE 3.08Å; R227-K233 WeakPolarHBondContact O-CG 3.41Å | ||
| 228 | R | 52.7 | Low | 62.2 | Low | 249 Ų | 249 | 74.9 Ų | 74.9 | 94% | 0.94 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -84.9 | -33.7 | -163.3 | -75.7 | -176 | 178.5 | 171.2 | 0.1 | 113.6 | ||
| 229 | D | 59.4 | Low | 60.9 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -94 | 145.8 | -172.7 | 62.8 | -59 | 0 | 0 | 0 | 112.1 | A231 D232 K233 | D229-A231 VanDerWaalsContact C-N 3.33Å; D229-A231 PolarHBondContact O-N 3.47Å; D229-D232 VanDerWaalsContact CG-CB 3.41Å; D229-D232 VanDerWaalsContact CG-CG 3.41Å; D229-D232 PolarHBondContact O-N 3.29Å; D229-D232 WeakPolarHBondContact OD1-CB 3.33Å; D229-D232 VanDerWaalsContact OD1-OD2 3.14Å; D229-D232 WeakPolarHBondContact OD2-CB 3.43Å; D229-D232 PolarHBondContact OD2-N 2.81Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 WeakPolarHBondContact O-CG 3.46Å; D229-K233 PolarHBondContact O-N 3.36Å |
| 230 | V | 59.7 | Low | 59.8 | Low | 97 Ų | 97 | 76.2 Ų | 76.2 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.9 | -38.9 | -172 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | L181 F234 | L181-V230 HydrophobicContact CD1-CG1 3.32Å; V230-F234 WeakPolarHBondContact O-CB 3.5Å; V230-F234 PolarHBondContact O-N 2.94Å |
| 231 | A | 59.2 | Low | 59.3 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D229 K233 F234 W235 | D229-A231 VanDerWaalsContact C-N 3.33Å; D229-A231 PolarHBondContact O-N 3.47Å; A231-K233 PolarHBondContact O-N 2.99Å; A231-F234 PolarHBondContact O-N 3.13Å; A231-W235 WeakPolarHBondContact O-CB 3.23Å; A231-W235 PolarHBondContact O-N 3.03Å |
| 232 | D | 61.4 | Low | 59 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 176.8 | -71.1 | -12 | 0 | 0 | 0 | 112.7 | R227 D229 F234 S236 | R227-D232 HydrophobicContact CB-CB 4.43Å; D229-D232 VanDerWaalsContact CG-CB 3.41Å; D229-D232 VanDerWaalsContact CG-CG 3.41Å; D229-D232 PolarHBondContact O-N 3.29Å; D229-D232 WeakPolarHBondContact OD1-CB 3.33Å; D229-D232 VanDerWaalsContact OD1-OD2 3.14Å; D229-D232 WeakPolarHBondContact OD2-CB 3.43Å; D229-D232 PolarHBondContact OD2-N 2.81Å; D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 2.93Å; D232-S236 WeakPolarHBondContact O-CA 3.45Å; D232-S236 WeakPolarHBondContact O-CB 3.09Å; D232-S236 PolarHBondContact O-N 3.06Å |
| 233 | K | 59.1 | Low | 59.2 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 172 | -80.1 | -176.1 | -175.4 | -177.7 | 0 | 110.5 | L225 R227 D229 A231 S237 | L225-K233 HydrophobicContact CB-CG 4.32Å; L225-K233 HydrophobicContact CD1-CB 4.44Å; R227-K233 WeakPolarHBondContact O-CE 3.08Å; R227-K233 WeakPolarHBondContact O-CG 3.41Å; D229-K233 WeakPolarHBondContact O-CB 3.36Å; D229-K233 WeakPolarHBondContact O-CG 3.46Å; D229-K233 PolarHBondContact O-N 3.36Å; A231-K233 PolarHBondContact O-N 2.99Å; K233-S237 PolarHBondContact O-N 3.48Å; K233-S237 PolarHBondContact O-OG 3.21Å |
| 234 | F | 58.8 | Low | 59.9 | Low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.5 | -47.7 | -179.9 | -179.4 | -98.3 | 0 | 0 | 0 | 111.9 | L181 M184 W189 V230 A231 D232 S236 S237 I238 | L181-F234 HydrophobicContact CB-CD2 4.03Å; L181-F234 HydrophobicContact CD2-CB 4.36Å; L181-F234 HydrophobicContact CD2-CD2 3.69Å; L181-F234 HydrophobicContact CD2-CE2 4.33Å; L181-F234 HydrophobicContact CD2-CG 4.23Å; L181-F234 HydrophobicContact CG-CD2 4.43Å; L181-F234 WeakPolarHBondContact O-CD2 3.41Å; M184-F234 HydrophobicContact CB-CE2 3.96Å; M184-F234 HydrophobicContact CG-CE2 3.91Å; M184-F234 HydrophobicContact CG-CZ 4.27Å; M184-F234 HydrophobicContact SD-CE2 3.77Å; M184-F234 HydrophobicContact SD-CZ 4.05Å; W189-F234 HydrophobicContact CB-CD1 4.24Å; W189-F234 HydrophobicContact CB-CE1 3.11Å; W189-F234 HydrophobicContact CB-CZ 3.42Å; W189-F234 VanDerWaalsContact CB-CZ 3.42Å; W189-F234 AromaticContact CD2-CD1 3.61Å; W189-F234 HydrophobicContact CD2-CD1 3.61Å; W189-F234 AromaticContact CD2-CE1 3.34Å; W189-F234 HydrophobicContact CD2-CE1 3.34Å; W189-F234 HydrophobicContact CD2-CZ 4.21Å; W189-F234 AromaticContact CE3-CD1 3.54Å; W189-F234 HydrophobicContact CE3-CD1 3.54Å; W189-F234 AromaticContact CE3-CE1 3.44Å; W189-F234 HydrophobicContact CE3-CE1 3.44Å; W189-F234 VanDerWaalsContact CE3-CE1 3.44Å; W189-F234 HydrophobicContact CE3-CG 4.21Å; W189-F234 HydrophobicContact CE3-CZ 4.02Å; W189-F234 AromaticContact CG-CD1 3.91Å; W189-F234 HydrophobicContact CG-CD1 3.91Å; W189-F234 AromaticContact CG-CE1 3.2Å; W189-F234 HydrophobicContact CG-CE1 3.2Å; W189-F234 AromaticContact CG-CZ 4Å; W189-F234 HydrophobicContact CG-CZ 4Å; W189-F234 HydrophobicContact CZ3-CD1 4.11Å; W189-F234 HydrophobicContact CZ3-CE1 4.43Å; V230-F234 WeakPolarHBondContact O-CB 3.5Å; V230-F234 PolarHBondContact O-N 2.94Å; A231-F234 PolarHBondContact O-N 3.13Å; D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 2.93Å; F234-S236 VanDerWaalsContact C-N 3.3Å; F234-S236 PolarHBondContact O-N 3.04Å; F234-S237 WeakPolarHBondContact O-CA 3.42Å; F234-S237 WeakPolarHBondContact O-CB 3.41Å; F234-S237 PolarHBondContact O-N 3.11Å; F234-I238 HydrophobicContact CD1-CD1 3.73Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 2.99Å; F234-I238 HydrophobicContact CE1-CG1 4.22Å; F234-I238 HydrophobicContact CE2-CD1 3.84Å; F234-I238 HydrophobicContact CG-CD1 4.39Å; F234-I238 HydrophobicContact CZ-CD1 3.11Å; F234-I238 HydrophobicContact CZ-CG1 4.2Å; F234-I238 PolarHBondContact O-N 3.41Å |
| 235 | W | 58 | Low | 61.4 | Low | 113 Ų | 113 | 75 Ų | 75 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 173.1 | -101.4 | 178.1 | 0 | 0 | 0 | 113 | W189 A231 I238 T239 | W189-W235 AromaticContact CD1-CH2 3.51Å; W189-W235 AromaticContact CD1-CZ2 3.89Å; W189-W235 AromaticContact CD1-CZ3 3.7Å; W189-W235 HydrophobicContact CG-CH2 4.46Å; W189-W235 HydrophobicContact CG-CZ3 4.3Å; W189-W235 AromaticContact NE1-CZ2 3.95Å; A231-W235 WeakPolarHBondContact O-CB 3.23Å; A231-W235 PolarHBondContact O-N 3.03Å; W235-I238 HydrophobicContact CE3-CB 3.97Å; W235-I238 HydrophobicContact CE3-CD1 3.72Å; W235-I238 HydrophobicContact CE3-CG1 4.44Å; W235-I238 HydrophobicContact CE3-CG2 4.04Å; W235-I238 HydrophobicContact CZ3-CB 4.24Å; W235-I238 HydrophobicContact CZ3-CD1 3.61Å; W235-I238 HydrophobicContact CZ3-CG2 3.88Å; W235-I238 PolarHBondContact O-N 3.03Å; W235-T239 VanDerWaalsContact O-CB 3.27Å; W235-T239 WeakPolarHBondContact O-CB 3.42Å; W235-T239 VanDerWaalsContact O-CG2 3.25Å; W235-T239 WeakPolarHBondContact O-CG2 3.4Å; W235-T239 PolarHBondContact O-N 3.04Å; W235-T239 PolarHBondContact O-OG1 3.26Å |
| 236 | S | 61.6 | Low | 62.9 | Low | 5 Ų | 5 | 79.2 Ų | 79.2 | 4% | 0.035 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.4 | -35 | 171.6 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | L225 D232 F234 I238 T239 Q240 | L225-S236 WeakPolarHBondContact CD2-OG 3.45Å; D232-S236 WeakPolarHBondContact O-CA 3.45Å; D232-S236 WeakPolarHBondContact O-CB 3.09Å; D232-S236 PolarHBondContact O-N 3.06Å; F234-S236 VanDerWaalsContact C-N 3.3Å; F234-S236 PolarHBondContact O-N 3.04Å; S236-I238 VanDerWaalsContact C-N 3.28Å; S236-I238 PolarHBondContact O-N 3.23Å; S236-T239 PolarHBondContact O-N 3.31Å; S236-Q240 CarbonylContact O-C 3.54Å; S236-Q240 VanDerWaalsContact O-CA 3.26Å; S236-Q240 WeakPolarHBondContact O-CA 3.29Å; S236-Q240 WeakPolarHBondContact O-CB 3.44Å; S236-Q240 PolarHBondContact O-N 3.19Å; S236-Q240 PolarHBondContact OG-OE1 3.25Å |
| 237 | S | 58.2 | Low | 64.6 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | L225 K233 F234 R241 | L225-S237 WeakPolarHBondContact CD1-OG 3.03Å; K233-S237 PolarHBondContact O-N 3.48Å; K233-S237 PolarHBondContact O-OG 3.21Å; F234-S237 WeakPolarHBondContact O-CA 3.42Å; F234-S237 WeakPolarHBondContact O-CB 3.41Å; F234-S237 PolarHBondContact O-N 3.11Å; S237-R241 PolarHBondContact O-NH1 3.5Å |
| 238 | I | 59.1 | Low | 66.3 | Low | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -82.8 | -27.6 | 179.6 | -72.9 | 173.1 | 0 | 0 | 0 | 113.3 | P186 F234 W235 S236 R241 | P186-I238 VanDerWaalsContact CA-CD1 3.48Å; P186-I238 HydrophobicContact CB-CB 4.43Å; P186-I238 HydrophobicContact CB-CD1 3.72Å; P186-I238 HydrophobicContact CB-CG1 3.91Å; P186-I238 HydrophobicContact CB-CG2 3.7Å; F234-I238 HydrophobicContact CD1-CD1 3.73Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 2.99Å; F234-I238 HydrophobicContact CE1-CG1 4.22Å; F234-I238 HydrophobicContact CE2-CD1 3.84Å; F234-I238 HydrophobicContact CG-CD1 4.39Å; F234-I238 HydrophobicContact CZ-CD1 3.11Å; F234-I238 HydrophobicContact CZ-CG1 4.2Å; F234-I238 PolarHBondContact O-N 3.41Å; W235-I238 HydrophobicContact CE3-CB 3.97Å; W235-I238 HydrophobicContact CE3-CD1 3.72Å; W235-I238 HydrophobicContact CE3-CG1 4.44Å; W235-I238 HydrophobicContact CE3-CG2 4.04Å; W235-I238 HydrophobicContact CZ3-CB 4.24Å; W235-I238 HydrophobicContact CZ3-CD1 3.61Å; W235-I238 HydrophobicContact CZ3-CG2 3.88Å; W235-I238 PolarHBondContact O-N 3.03Å; S236-I238 VanDerWaalsContact C-N 3.28Å; S236-I238 PolarHBondContact O-N 3.23Å; I238-R241 PolarHBondContact O-NH1 3.25Å |
| 239 | T | 62.3 | Low | 67.9 | Low | 103 Ų | 103 | 59.7 Ų | 59.7 | 63% | 0.632 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -99.6 | -30 | -178.4 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | W235 S236 | W235-T239 VanDerWaalsContact O-CB 3.27Å; W235-T239 WeakPolarHBondContact O-CB 3.42Å; W235-T239 VanDerWaalsContact O-CG2 3.25Å; W235-T239 WeakPolarHBondContact O-CG2 3.4Å; W235-T239 PolarHBondContact O-N 3.04Å; W235-T239 PolarHBondContact O-OG1 3.26Å; S236-T239 PolarHBondContact O-N 3.31Å |
| 240 | Q | 66 | Low | 69.3 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -110.5 | 92.5 | 176.2 | -52.4 | -177.9 | 4.4 | 0 | 0 | 107.9 | S236 | S236-Q240 CarbonylContact O-C 3.54Å; S236-Q240 VanDerWaalsContact O-CA 3.26Å; S236-Q240 WeakPolarHBondContact O-CA 3.29Å; S236-Q240 WeakPolarHBondContact O-CB 3.44Å; S236-Q240 PolarHBondContact O-N 3.19Å; S236-Q240 PolarHBondContact OG-OE1 3.25Å |
| 241 | R | 71.2 | Confident | 70.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 152 | 171.9 | -72.9 | -70.8 | 177.2 | -75.4 | -6.1 | 110.1 | S237 I238 W260 V262 | S237-R241 PolarHBondContact O-NH1 3.5Å; I238-R241 PolarHBondContact O-NH1 3.25Å; R241-W260 PolarHBondContact NE-O 3.45Å; R241-W260 PolarHBondContact NH2-O 3.48Å; R241-V262 VanDerWaalsContact NH2-CG2 3.27Å |
| 242 | P | 70.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -53 | 141.1 | 167.9 | -21.3 | 32.7 | 0 | 0 | 0 | 110.6 | W213 P221 I224 W260 | W213-P242 HydrophobicContact CD2-CB 3.36Å; W213-P242 HydrophobicContact CD2-CG 4.07Å; W213-P242 HydrophobicContact CE3-CB 3.74Å; W213-P242 HydrophobicContact CE3-CG 4.16Å; W213-P242 HydrophobicContact CG-CB 3.94Å; W213-P242 HydrophobicContact CG-CG 4.49Å; W213-P242 HydrophobicContact CH2-CB 3.89Å; W213-P242 HydrophobicContact CZ2-CB 3.48Å; W213-P242 VanDerWaalsContact CZ2-CB 3.48Å; W213-P242 HydrophobicContact CZ3-CB 4Å; P221-P242 HydrophobicContact CB-CG 4.41Å; I224-P242 HydrophobicContact CD1-CB 4.08Å; P242-W260 HydrophobicContact CB-CH2 3.81Å; P242-W260 HydrophobicContact CB-CZ3 4.02Å; P242-W260 HydrophobicContact CG-CE3 4.44Å; P242-W260 HydrophobicContact CG-CH2 3.91Å; P242-W260 HydrophobicContact CG-CZ3 3.65Å |
| 243 | P | 73 | Confident | 73.6 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 153.6 | -174.2 | 28.2 | -36.1 | 0 | 0 | 0 | 111 | W213 L245 | W213-P243 HydrophobicContact CZ2-CG 4.11Å; W213-P243 PolarHBondContact NE1-O 3.21Å; P243-L245 PolarHBondContact O-N 2.89Å |
| 244 | T | 75.7 | Confident | 75.1 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 62% | 0.62 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 129.6 | 167.3 | -46 | 0 | 0 | 0 | 0 | 109.1 | ||
| 245 | L | 81.7 | Confident | 76.8 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -81 | 123.6 | -177.3 | -65.7 | 173.7 | 0 | 0 | 0 | 110 | W213 L216 A217 P243 G247 C248 | W213-L245 HydrophobicContact CG-CD1 4.44Å; W213-L245 HydrophobicContact CZ2-CD2 3.82Å; L216-L245 HydrophobicContact CB-CD1 3.32Å; L216-L245 HydrophobicContact CD1-CD1 4.28Å; L216-L245 HydrophobicContact CG-CD1 4.46Å; A217-L245 HydrophobicContact CB-CD1 4.21Å; A217-L245 HydrophobicContact CB-CD2 3.75Å; P243-L245 PolarHBondContact O-N 2.89Å; L245-G247 PolarHBondContact O-N 2.69Å; L245-C248 HydrophobicContact CB-CB 3.81Å; L245-C248 WeakPolarHBondContact O-CB 3.39Å; L245-C248 PolarHBondContact O-N 3.25Å |
| 246 | A | 79.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 88% | 0.884 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C248 | A246-C248 VanDerWaalsContact C-N 3.25Å; A246-C248 PolarHBondContact O-N 3.13Å |
| 247 | G | 80.2 | Confident | 79.9 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 87% | 0.866 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 0.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L245 | L245-G247 PolarHBondContact O-N 2.69Š|
| 248 | C | 84.7 | Confident | 81.6 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -66.3 | 128.4 | 171 | -177 | 0 | 0 | 0 | 0 | 109.9 | L245 A246 E250 | L245-C248 HydrophobicContact CB-CB 3.81Å; L245-C248 WeakPolarHBondContact O-CB 3.39Å; L245-C248 PolarHBondContact O-N 3.25Å; A246-C248 VanDerWaalsContact C-N 3.25Å; A246-C248 PolarHBondContact O-N 3.13Å; C248-E250 PolarHBondContact O-N 3.34Å | ||
| 249 | P | 86.7 | Confident | 83.3 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | trans | -53.2 | 136.5 | 174.6 | -25.8 | 33.1 | 0 | 0 | 0 | 111.6 | L251 L252 S253 | P249-L251 PolarHBondContact O-N 3.26Å; P249-L251 VanDerWaalsContact O-N 3.17Å; P249-L252 HydrophobicContact CB-CD1 4.46Å; P249-L252 HydrophobicContact CB-CG 4.25Å; P249-L252 HydrophobicContact CG-CD1 4.16Å; P249-L252 HydrophobicContact CG-CG 4.49Å; P249-L252 PolarHBondContact O-N 3.19Å; P249-S253 PolarHBondContact O-N 3.17Å; P249-S253 VanDerWaalsContact O-N 3.15Å | ||
| 250 | E | 87.9 | Confident | 84.7 | Confident | 156 Ų | 156 | 55.4 Ų | 55.4 | 73% | 0.729 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -53.2 | -41.7 | -175.1 | -175.5 | 176.8 | -173.1 | 0 | 0 | 112.5 | C248 L252 S253 I254 | C248-E250 PolarHBondContact O-N 3.34Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 2.72Å; E250-S253 WeakPolarHBondContact O-CB 3.47Å; E250-S253 PolarHBondContact O-N 3.48Å; E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CG1 3.43Å; E250-I254 PolarHBondContact O-N 3.23Å |
| 251 | L | 89 | Confident | 85.8 | Confident | 85 Ų | 85 | 52 Ų | 52 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 177.7 | -178.3 | 58.3 | 0 | 0 | 0 | 112.9 | P249 I254 I255 I280 | P249-L251 PolarHBondContact O-N 3.26Å; P249-L251 VanDerWaalsContact O-N 3.17Å; L251-I254 PolarHBondContact O-N 2.74Å; L251-I255 HydrophobicContact CD1-CD1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.27Å; L251-I255 VanDerWaalsContact O-CG1 3.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.41Å; L251-I255 PolarHBondContact O-N 2.73Å; L251-I280 HydrophobicContact CD2-CD1 3.44Å; L251-I280 VanDerWaalsContact CD2-CD1 3.44Å; L251-I280 HydrophobicContact CD2-CG1 3.66Å; L251-I280 HydrophobicContact CG-CD1 3.84Å |
| 252 | L | 90.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 178 | -59.9 | -173.1 | 0 | 0 | 0 | 111.2 | L115 L119 F212 P249 E250 I254 I255 I256 I280 | L115-L252 HydrophobicContact CD1-CD1 3.59Å; L115-L252 HydrophobicContact CD2-CD1 4.1Å; L115-L252 HydrophobicContact CG-CD1 4.41Å; L119-L252 HydrophobicContact CD2-CD1 4.36Å; L119-L252 HydrophobicContact CD2-CD2 3.75Å; F212-L252 HydrophobicContact CZ-CD1 4.38Å; F212-L252 HydrophobicContact CZ-CD2 4.18Å; P249-L252 HydrophobicContact CB-CD1 4.46Å; P249-L252 HydrophobicContact CB-CG 4.25Å; P249-L252 HydrophobicContact CG-CD1 4.16Å; P249-L252 HydrophobicContact CG-CG 4.49Å; P249-L252 PolarHBondContact O-N 3.19Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 2.72Å; L252-I254 VanDerWaalsContact C-N 3.33Å; L252-I254 PolarHBondContact O-N 3.24Å; L252-I255 HydrophobicContact CD2-CD1 4.27Å; L252-I255 PolarHBondContact O-N 2.8Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.11Å; L252-I280 HydrophobicContact CD2-CD1 4.36Å; L252-I280 HydrophobicContact CD2-CG2 4.42Å |
| 253 | S | 90.8 | Very high | 87.3 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | P249 E250 I255 I256 E257 | P249-S253 PolarHBondContact O-N 3.17Å; P249-S253 VanDerWaalsContact O-N 3.15Å; E250-S253 WeakPolarHBondContact O-CB 3.47Å; E250-S253 PolarHBondContact O-N 3.48Å; S253-I255 PolarHBondContact O-N 3.34Å; S253-I256 PolarHBondContact O-N 3.21Å; S253-E257 VanDerWaalsContact O-CB 3.25Å; S253-E257 WeakPolarHBondContact O-CB 3.49Å; S253-E257 VanDerWaalsContact O-CG 3.27Å; S253-E257 WeakPolarHBondContact O-CG 3.31Å; S253-E257 PolarHBondContact O-N 2.88Å |
| 254 | I | 92 | Very high | 88.1 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.2 | -67.8 | 166.2 | 0 | 0 | 0 | 111.8 | E250 L251 L252 E257 S258 | E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CG1 3.43Å; E250-I254 PolarHBondContact O-N 3.23Å; L251-I254 PolarHBondContact O-N 2.74Å; L252-I254 VanDerWaalsContact C-N 3.33Å; L252-I254 PolarHBondContact O-N 3.24Å; I254-E257 PolarHBondContact O-N 3.04Å; I254-S258 WeakPolarHBondContact O-CB 3.29Å; I254-S258 PolarHBondContact O-N 3.21Å; I254-S258 PolarHBondContact O-OG 2.95Å |
| 255 | I | 93.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 177.7 | -71.9 | 166.2 | 0 | 0 | 0 | 110.8 | F212 L251 L252 S253 S258 G259 L273 L277 I280 | F212-I255 HydrophobicContact CE1-CG2 4.41Å; L251-I255 HydrophobicContact CD1-CD1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.27Å; L251-I255 VanDerWaalsContact O-CG1 3.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.41Å; L251-I255 PolarHBondContact O-N 2.73Å; L252-I255 HydrophobicContact CD2-CD1 4.27Å; L252-I255 PolarHBondContact O-N 2.8Å; S253-I255 PolarHBondContact O-N 3.34Å; I255-S258 PolarHBondContact O-OG 3.3Å; I255-G259 PolarHBondContact O-N 3.23Å; I255-L273 HydrophobicContact CG2-CD1 3.38Å; I255-L277 HydrophobicContact CD1-CD2 4.27Å; I255-I280 HydrophobicContact CD1-CD1 3.55Å |
| 256 | I | 93.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 179.2 | -68.8 | 169.6 | 0 | 0 | 0 | 110 | F212 W213 L216 L252 S253 G259 W260 | F212-I256 HydrophobicContact CD1-CD1 3.99Å; F212-I256 HydrophobicContact CD1-CG1 3.6Å; F212-I256 HydrophobicContact CE1-CD1 4.23Å; F212-I256 HydrophobicContact CE1-CG1 4.02Å; F212-I256 HydrophobicContact CG-CD1 4.19Å; F212-I256 HydrophobicContact CG-CG1 4.15Å; W213-I256 HydrophobicContact CB-CD1 4.48Å; W213-I256 HydrophobicContact CB-CG2 4.18Å; L216-I256 HydrophobicContact CD1-CD1 3.62Å; L252-I256 WeakPolarHBondContact O-CG1 3.15Å; L252-I256 PolarHBondContact O-N 3.11Å; S253-I256 PolarHBondContact O-N 3.21Å; I256-G259 PolarHBondContact O-N 2.82Å; I256-W260 HydrophobicContact CG2-CD2 3.73Å; I256-W260 HydrophobicContact CG2-CE3 3.6Å; I256-W260 HydrophobicContact CG2-CH2 3.33Å; I256-W260 HydrophobicContact CG2-CZ2 3.45Å; I256-W260 VanDerWaalsContact CG2-CZ2 3.45Å; I256-W260 HydrophobicContact CG2-CZ3 3.41Å; I256-W260 VanDerWaalsContact CG2-CZ3 3.41Å; I256-W260 VanDerWaalsContact O-CD1 3.28Å; I256-W260 VanDerWaalsContact O-CG 3.27Å; I256-W260 PolarHBondContact O-N 3.28Å |
| 257 | E | 92.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | -177.7 | -75 | 177.6 | -166.7 | 0 | 0 | 113.8 | S253 I254 W260 A261 | S253-E257 VanDerWaalsContact O-CB 3.25Å; S253-E257 WeakPolarHBondContact O-CB 3.49Å; S253-E257 VanDerWaalsContact O-CG 3.27Å; S253-E257 WeakPolarHBondContact O-CG 3.31Å; S253-E257 PolarHBondContact O-N 2.88Å; I254-E257 PolarHBondContact O-N 3.04Å; E257-W260 HydrophobicContact CG-CZ2 4.46Å; E257-W260 VanDerWaalsContact O-CD1 3.25Å; E257-A261 PolarHBondContact O-N 3.02Å |
| 258 | S | 94.2 | Very high | 90.9 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 173.6 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | I254 I255 A261 R267 | I254-S258 WeakPolarHBondContact O-CB 3.29Å; I254-S258 PolarHBondContact O-N 3.21Å; I254-S258 PolarHBondContact O-OG 2.95Å; I255-S258 PolarHBondContact O-OG 3.3Å; S258-A261 WeakPolarHBondContact O-CB 3.38Å; S258-A261 PolarHBondContact O-N 2.99Å; S258-R267 WeakPolarHBondContact O-CA 3.26Å |
| 259 | G | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -31.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y206 T209 I255 I256 R267 | Y206-G259 WeakPolarHBondContact CA-O 3.32Å; T209-G259 VanDerWaalsContact OG1-C 3.22Å; I255-G259 PolarHBondContact O-N 3.23Å; I256-G259 PolarHBondContact O-N 2.82Å; G259-R267 WeakPolarHBondContact O-CD 3.22Å; G259-R267 VanDerWaalsContact O-CG 3.32Å; G259-R267 WeakPolarHBondContact O-CG 3.44Å |
| 260 | W | 91.3 | Very high | 92 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 19.2 | 176.7 | 66.1 | 22.3 | 0 | 0 | 0 | 114.3 | Y206 T209 V210 W213 R241 P242 I256 E257 | Y206-W260 HydrophobicContact CD2-CB 3.73Å; Y206-W260 HydrophobicContact CE2-CB 3.74Å; Y206-W260 WeakPolarHBondContact CE2-O 3.43Å; Y206-W260 HydrophobicContact CG-CB 4.42Å; T209-W260 PolarHBondContact OG1-N 3.46Å; V210-W260 HydrophobicContact CG2-CE3 4Å; W213-W260 HydrophobicContact CB-CE3 4.48Å; W213-W260 HydrophobicContact CB-CH2 3.93Å; W213-W260 HydrophobicContact CB-CZ3 3.45Å; W213-W260 VanDerWaalsContact CB-CZ3 3.45Å; W213-W260 AromaticContact CD1-CH2 3.37Å; W213-W260 AromaticContact CD1-CZ3 3.83Å; W213-W260 HydrophobicContact CD2-CZ3 4.45Å; W213-W260 AromaticContact CG-CH2 3.66Å; W213-W260 HydrophobicContact CG-CH2 3.66Å; W213-W260 AromaticContact CG-CZ3 3.61Å; W213-W260 HydrophobicContact CG-CZ3 3.61Å; R241-W260 PolarHBondContact NE-O 3.45Å; R241-W260 PolarHBondContact NH2-O 3.48Å; P242-W260 HydrophobicContact CB-CH2 3.81Å; P242-W260 HydrophobicContact CB-CZ3 4.02Å; P242-W260 HydrophobicContact CG-CE3 4.44Å; P242-W260 HydrophobicContact CG-CH2 3.91Å; P242-W260 HydrophobicContact CG-CZ3 3.65Å; I256-W260 HydrophobicContact CG2-CD2 3.73Å; I256-W260 HydrophobicContact CG2-CE3 3.6Å; I256-W260 HydrophobicContact CG2-CH2 3.33Å; I256-W260 HydrophobicContact CG2-CZ2 3.45Å; I256-W260 VanDerWaalsContact CG2-CZ2 3.45Å; I256-W260 HydrophobicContact CG2-CZ3 3.41Å; I256-W260 VanDerWaalsContact CG2-CZ3 3.41Å; I256-W260 VanDerWaalsContact O-CD1 3.28Å; I256-W260 VanDerWaalsContact O-CG 3.27Å; I256-W260 PolarHBondContact O-N 3.28Å; E257-W260 HydrophobicContact CG-CZ2 4.46Å; E257-W260 VanDerWaalsContact O-CD1 3.25Å |
| 261 | A | 90.2 | Very high | 92.5 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | trans | -54.4 | 144 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E257 S258 N263 V266 R267 | E257-A261 PolarHBondContact O-N 3.02Å; S258-A261 WeakPolarHBondContact O-CB 3.38Å; S258-A261 PolarHBondContact O-N 2.99Å; A261-N263 VanDerWaalsContact C-N 3.34Å; A261-N263 PolarHBondContact O-N 3.08Å; A261-V266 HydrophobicContact CB-CB 3.95Å; A261-V266 HydrophobicContact CB-CG1 3.91Å; A261-R267 HydrophobicContact CB-CG 4.16Å; A261-R267 VanDerWaalsContact O-CZ 3.3Å; A261-R267 PolarHBondContact O-NE 3.18Å; A261-R267 PolarHBondContact O-NH2 3.42Å | ||
| 262 | V | 85 | Confident | 92.9 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -58.8 | -48 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | R241 P264 R267 | R241-V262 VanDerWaalsContact NH2-CG2 3.27Å; V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.46Å; V262-R267 PolarHBondContact O-NH2 2.83Å |
| 263 | N | 87 | Confident | 93.2 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -77.1 | 115.8 | 177 | -177 | -5.9 | 0 | 0 | 0 | 110.5 | A261 M265 V266 | A261-N263 VanDerWaalsContact C-N 3.34Å; A261-N263 PolarHBondContact O-N 3.08Å; N263-M265 PolarHBondContact O-N 2.8Å; N263-M265 VanDerWaalsContact O-N 3.13Å; N263-M265 WeakPolarHBondContact OD1-CB 3.38Å; N263-M265 PolarHBondContact OD1-N 3.15Å; N263-V266 HydrophobicContact CB-CG2 3.98Å; N263-V266 PolarHBondContact O-N 3.47Å |
| 264 | P | 90.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.7 | -26 | 179.2 | -23 | 34.4 | 0 | 0 | 0 | 114 | E187 K202 V262 V266 R267 | E187-P264 HydrophobicContact CB-CG 4.19Å; E187-P264 HydrophobicContact CG-CG 3.97Å; K202-P264 HydrophobicContact CB-CB 3.89Å; K202-P264 HydrophobicContact CG-CB 4.4Å; K202-P264 PolarHBondContact NZ-O 2.94Å; V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.46Å; P264-V266 PolarHBondContact O-N 3.17Å; P264-R267 PolarHBondContact O-N 3.35Å |
| 265 | M | 90.6 | Very high | 93.5 | Very high | 153 Ų | 153 | 48 Ų | 48 | 75% | 0.754 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -68.2 | -22.5 | 178.4 | -62.4 | -58.1 | -67.6 | 0 | 0 | 113.3 | N263 | N263-M265 PolarHBondContact O-N 2.8Å; N263-M265 VanDerWaalsContact O-N 3.13Å; N263-M265 WeakPolarHBondContact OD1-CB 3.38Å; N263-M265 PolarHBondContact OD1-N 3.15Å |
| 266 | V | 93.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -81.7 | -24.4 | 177.5 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | A261 N263 P264 | A261-V266 HydrophobicContact CB-CB 3.95Å; A261-V266 HydrophobicContact CB-CG1 3.91Å; N263-V266 HydrophobicContact CB-CG2 3.98Å; N263-V266 PolarHBondContact O-N 3.47Å; P264-V266 PolarHBondContact O-N 3.17Å |
| 267 | R | 95.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68 | 141.5 | -177.9 | -56.1 | 176.9 | -166.2 | 150.4 | 13 | 110.2 | E187 K202 V205 S258 G259 A261 V262 P264 | E187-R267 IonicContact OE1-CZ 3.65Å; E187-R267 IonicContact OE1-NH1 2.75Å; E187-R267 PolarHBondContact OE1-NH1 3.45Å; E187-R267 IonicContact OE1-NH2 3.88Å; E187-R267 IonicContact OE2-CZ 2.81Å; E187-R267 IonicContact OE2-NH1 3.91Å; E187-R267 PolarHBondContact OE2-NH1 3.27Å; E187-R267 IonicContact OE2-NH2 3.35Å; E187-R267 PolarHBondContact OE2-NH2 3.48Å; K202-R267 HydrophobicContact CD-CB 4.28Å; K202-R267 PolarHBondContact NZ-O 2.93Å; K202-R267 WeakPolarHBondContact O-CD 3.43Å; K202-R267 PolarHBondContact O-NH1 3.04Å; V205-R267 HydrophobicContact CG1-CB 4.21Å; S258-R267 WeakPolarHBondContact O-CA 3.26Å; G259-R267 WeakPolarHBondContact O-CD 3.22Å; G259-R267 VanDerWaalsContact O-CG 3.32Å; G259-R267 WeakPolarHBondContact O-CG 3.44Å; A261-R267 HydrophobicContact CB-CG 4.16Å; A261-R267 VanDerWaalsContact O-CZ 3.3Å; A261-R267 PolarHBondContact O-NE 3.18Å; A261-R267 PolarHBondContact O-NH2 3.42Å; V262-R267 PolarHBondContact O-NH2 2.83Å; P264-R267 PolarHBondContact O-N 3.35Å |
| 268 | P | 96.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 167.3 | 169.9 | 29.7 | -35.1 | 0 | 0 | 0 | 110.9 | K202 V205 Q272 | K202-P268 WeakPolarHBondContact CD-O 3.32Å; V205-P268 HydrophobicContact CG1-CG 4.22Å; V205-P268 WeakPolarHBondContact CG2-O 3.49Å; P268-Q272 VanDerWaalsContact CA-OE1 3.27Å; P268-Q272 HydrophobicContact CB-CB 3.9Å |
| 269 | T | 97.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 163.8 | 163.2 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | F271 Q272 L273 | T269-F271 VanDerWaalsContact C-N 3.28Å; T269-F271 PolarHBondContact O-N 3.04Å; T269-Q272 PolarHBondContact O-N 2.85Å; T269-Q272 VanDerWaalsContact O-N 3.14Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.37Å; T269-Q272 PolarHBondContact OG1-N 3.46Å; T269-Q272 VanDerWaalsContact OG1-N 3.14Å; T269-L273 PolarHBondContact O-N 2.95Å |
| 270 | M | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 172.7 | -73.5 | -62.4 | -168.9 | 0 | 0 | 112.1 | D130 H133 I145 D204 V205 L208 Q272 L273 S274 | D130-M270 HydrophobicContact CB-CB 3.8Å; H133-M270 VanDerWaalsContact CE1-CG 3.47Å; H133-M270 WeakPolarHBondContact CE1-CG 3.36Å; H133-M270 WeakPolarHBondContact ND1-CG 3.31Å; I145-M270 HydrophobicContact CD1-CE 4.11Å; D204-M270 HydrophobicContact CB-CE 3.72Å; D204-M270 WeakPolarHBondContact O-CE 3.34Å; V205-M270 HydrophobicContact CB-CE 4.43Å; V205-M270 HydrophobicContact CG2-CE 4.03Å; V205-M270 HydrophobicContact CG2-CG 4Å; V205-M270 HydrophobicContact CG2-SD 4.03Å; L208-M270 HydrophobicContact CB-CE 3.97Å; L208-M270 HydrophobicContact CD2-CE 3.81Å; L208-M270 HydrophobicContact CD2-SD 3.69Å; M270-Q272 PolarHBondContact O-N 3.33Å; M270-L273 PolarHBondContact O-N 2.94Å; M270-L273 HydrophobicContact SD-CD2 4.32Å; M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.37Å |
| 271 | F | 97.7 | Very high | 92.6 | Very high | 100 Ų | 100 | 48.3 Ų | 48.3 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.4 | -52.1 | 169.5 | -179.1 | -103.3 | 0 | 0 | 0 | 112.6 | D130 T269 L273 S274 K275 | D130-F271 WeakPolarHBondContact OD1-CB 3.35Å; D130-F271 PolarHBondContact OD1-N 3.46Å; D130-F271 VanDerWaalsContact OD1-N 3.14Å; T269-F271 VanDerWaalsContact C-N 3.28Å; T269-F271 PolarHBondContact O-N 3.04Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 2.9Å; F271-S274 PolarHBondContact O-N 2.89Å; F271-S274 PolarHBondContact O-OG 3.05Å; F271-K275 HydrophobicContact CD1-CG 4.27Å; F271-K275 HydrophobicContact CD2-CG 4.46Å; F271-K275 HydrophobicContact CE1-CG 3.91Å; F271-K275 HydrophobicContact CE2-CD 4.49Å; F271-K275 HydrophobicContact CE2-CG 4.11Å; F271-K275 HydrophobicContact CZ-CD 4.24Å; F271-K275 VanDerWaalsContact CZ-CE 3.44Å; F271-K275 HydrophobicContact CZ-CG 3.83Å; F271-K275 WeakPolarHBondContact O-CB 3.31Å; F271-K275 WeakPolarHBondContact O-CG 3.3Å; F271-K275 PolarHBondContact O-N 3.44Å |
| 272 | Q | 97.5 | Very high | 92.4 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -179.7 | -74.7 | 171.5 | -30.3 | 0 | 0 | 111.9 | P268 T269 M270 K275 C276 | P268-Q272 VanDerWaalsContact CA-OE1 3.27Å; P268-Q272 HydrophobicContact CB-CB 3.9Å; T269-Q272 PolarHBondContact O-N 2.85Å; T269-Q272 VanDerWaalsContact O-N 3.14Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.37Å; T269-Q272 PolarHBondContact OG1-N 3.46Å; T269-Q272 VanDerWaalsContact OG1-N 3.14Å; M270-Q272 PolarHBondContact O-N 3.33Å; Q272-K275 PolarHBondContact O-N 2.83Å; Q272-C276 WeakPolarHBondContact O-CB 3.46Å; Q272-C276 PolarHBondContact O-N 2.99Å |
| 273 | L | 96.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 175.6 | -175.3 | 63.6 | 0 | 0 | 0 | 111.1 | L208 I255 T269 M270 F271 K275 C276 L277 | L208-L273 HydrophobicContact CD2-CD2 3.78Å; L208-L273 HydrophobicContact CG-CD2 4.46Å; I255-L273 HydrophobicContact CG2-CD1 3.38Å; T269-L273 PolarHBondContact O-N 2.95Å; M270-L273 PolarHBondContact O-N 2.94Å; M270-L273 HydrophobicContact SD-CD2 4.32Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 2.9Å; L273-K275 VanDerWaalsContact C-N 3.34Å; L273-K275 PolarHBondContact O-N 3.05Å; L273-C276 PolarHBondContact O-N 3.34Å; L273-L277 HydrophobicContact CD1-CD1 4.18Å; L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 3.98Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 2.99Å |
| 274 | S | 95.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 178.4 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | L123 S126 M270 F271 C276 L277 T278 | L123-S274 WeakPolarHBondContact CD1-O 3.41Å; S126-S274 WeakPolarHBondContact OG-CA 3.35Å; S126-S274 WeakPolarHBondContact OG-CB 3.4Å; M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.37Å; F271-S274 PolarHBondContact O-N 2.89Å; F271-S274 PolarHBondContact O-OG 3.05Å; S274-C276 VanDerWaalsContact C-N 3.34Å; S274-L277 PolarHBondContact O-N 3.06Å; S274-T278 PolarHBondContact O-N 3.13Å; S274-T278 VanDerWaalsContact O-N 3.16Å; S274-T278 PolarHBondContact O-OG1 2.81Å |
| 275 | K | 94.3 | Very high | 91.3 | Very high | 128 Ų | 128 | 57.3 Ų | 57.3 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.7 | -31.4 | 177.3 | -74.2 | -66.7 | -177.7 | -175 | 0 | 112.8 | F271 Q272 L273 P279 | F271-K275 HydrophobicContact CD1-CG 4.27Å; F271-K275 HydrophobicContact CD2-CG 4.46Å; F271-K275 HydrophobicContact CE1-CG 3.91Å; F271-K275 HydrophobicContact CE2-CD 4.49Å; F271-K275 HydrophobicContact CE2-CG 4.11Å; F271-K275 HydrophobicContact CZ-CD 4.24Å; F271-K275 VanDerWaalsContact CZ-CE 3.44Å; F271-K275 HydrophobicContact CZ-CG 3.83Å; F271-K275 WeakPolarHBondContact O-CB 3.31Å; F271-K275 WeakPolarHBondContact O-CG 3.3Å; F271-K275 PolarHBondContact O-N 3.44Å; Q272-K275 PolarHBondContact O-N 2.83Å; L273-K275 VanDerWaalsContact C-N 3.34Å; L273-K275 PolarHBondContact O-N 3.05Å; K275-P279 WeakPolarHBondContact O-CD 3.27Å |
| 276 | C | 92.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 32% | 0.324 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | Q272 L273 S274 P279 I280 | Q272-C276 WeakPolarHBondContact O-CB 3.46Å; Q272-C276 PolarHBondContact O-N 2.99Å; L273-C276 PolarHBondContact O-N 3.34Å; S274-C276 VanDerWaalsContact C-N 3.34Å; C276-P279 WeakPolarHBondContact O-CD 3.25Å; C276-P279 WeakPolarHBondContact O-CG 3.32Å; C276-I280 WeakPolarHBondContact O-CD1 3.41Å; C276-I280 WeakPolarHBondContact O-CG1 3.49Å |
| 277 | L | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.8 | -34.2 | -176.8 | -70.3 | 169.5 | 0 | 0 | 0 | 113.8 | L119 I122 L123 F212 I255 L273 S274 I280 I281 | L119-L277 HydrophobicContact CD2-CD2 3.82Å; I122-L277 HydrophobicContact CB-CD1 4.21Å; I122-L277 HydrophobicContact CG2-CD1 3.57Å; L123-L277 HydrophobicContact CB-CB 4.47Å; L123-L277 HydrophobicContact CD1-CB 4.3Å; F212-L277 HydrophobicContact CE1-CD2 4.45Å; I255-L277 HydrophobicContact CD1-CD2 4.27Å; L273-L277 HydrophobicContact CD1-CD1 4.18Å; L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 3.98Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 2.99Å; S274-L277 PolarHBondContact O-N 3.06Å; L277-I280 PolarHBondContact O-N 3.36Å; L277-I281 WeakPolarHBondContact O-CG1 3.42Å; L277-I281 PolarHBondContact O-N 3.4Å |
| 278 | T | 90.5 | Very high | 87.1 | Confident | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.202 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.8 | -57.6 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | S274 I280 I281 E282 | S274-T278 PolarHBondContact O-N 3.13Å; S274-T278 VanDerWaalsContact O-N 3.16Å; S274-T278 PolarHBondContact O-OG1 2.81Å; T278-I280 VanDerWaalsContact C-N 3.28Å; T278-I280 PolarHBondContact O-N 3.1Å; T278-I281 PolarHBondContact O-N 3.07Å; T278-E282 WeakPolarHBondContact CG2-OE1 3.39Å; T278-E282 WeakPolarHBondContact O-CG 3.41Å; T278-E282 PolarHBondContact O-N 2.9Å |
| 279 | P | 88.1 | Confident | 85.7 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66 | -27 | -179.9 | 26.4 | -35.8 | 0 | 0 | 0 | 113.6 | K275 C276 E282 Q283 | K275-P279 WeakPolarHBondContact O-CD 3.27Å; C276-P279 WeakPolarHBondContact O-CD 3.25Å; C276-P279 WeakPolarHBondContact O-CG 3.32Å; P279-E282 PolarHBondContact O-N 2.72Å; P279-Q283 VanDerWaalsContact O-CG 3.31Å; P279-Q283 WeakPolarHBondContact O-CG 3.22Å; P279-Q283 PolarHBondContact O-N 3.45Å |
| 280 | I | 88.2 | Confident | 84.7 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 9% | 0.087 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 174.9 | -62.8 | 170.5 | 0 | 0 | 0 | 109.9 | L119 L251 L252 I255 C276 L277 T278 Q283 I284 | L119-I280 HydrophobicContact CD1-CG2 4.1Å; L251-I280 HydrophobicContact CD2-CD1 3.44Å; L251-I280 VanDerWaalsContact CD2-CD1 3.44Å; L251-I280 HydrophobicContact CD2-CG1 3.66Å; L251-I280 HydrophobicContact CG-CD1 3.84Å; L252-I280 HydrophobicContact CD2-CD1 4.36Å; L252-I280 HydrophobicContact CD2-CG2 4.42Å; I255-I280 HydrophobicContact CD1-CD1 3.55Å; C276-I280 WeakPolarHBondContact O-CD1 3.41Å; C276-I280 WeakPolarHBondContact O-CG1 3.49Å; L277-I280 PolarHBondContact O-N 3.36Å; T278-I280 VanDerWaalsContact C-N 3.28Å; T278-I280 PolarHBondContact O-N 3.1Å; I280-Q283 PolarHBondContact O-N 3.14Å; I280-I284 HydrophobicContact CG2-CD1 3.95Å; I280-I284 WeakPolarHBondContact O-CG1 3.33Å; I280-I284 PolarHBondContact O-N 3.19Å |
| 281 | I | 87.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.082 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.7 | -67.2 | 163.7 | 0 | 0 | 0 | 109.9 | L119 L123 L277 T278 Q283 I284 F285 | L119-I281 HydrophobicContact CB-CD1 3.86Å; L119-I281 HydrophobicContact CB-CG1 3.6Å; L119-I281 HydrophobicContact CD1-CG1 4.18Å; L119-I281 HydrophobicContact CG-CG1 4.47Å; L123-I281 HydrophobicContact CB-CD1 4.03Å; L123-I281 HydrophobicContact CD2-CD1 3.65Å; L123-I281 HydrophobicContact CG-CD1 4.46Å; L277-I281 WeakPolarHBondContact O-CG1 3.42Å; L277-I281 PolarHBondContact O-N 3.4Å; T278-I281 PolarHBondContact O-N 3.07Å; I281-Q283 VanDerWaalsContact C-N 3.28Å; I281-Q283 PolarHBondContact O-N 3.32Å; I281-I284 PolarHBondContact O-N 3.06Å; I281-I284 VanDerWaalsContact O-N 3.15Å; I281-F285 WeakPolarHBondContact O-CA 3.41Å; I281-F285 PolarHBondContact O-N 2.87Å; I281-F285 VanDerWaalsContact O-O 3.13Å |
| 282 | E | 85.6 | Confident | 83.3 | Confident | 85 Ų | 85 | 74 Ų | 74 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.9 | -31.6 | -179.6 | -67 | 173.8 | 169.1 | 0 | 0 | 113.5 | T278 P279 F285 I287 | T278-E282 WeakPolarHBondContact CG2-OE1 3.39Å; T278-E282 WeakPolarHBondContact O-CG 3.41Å; T278-E282 PolarHBondContact O-N 2.9Å; P279-E282 PolarHBondContact O-N 2.72Å; E282-F285 CarbonylContact C-O 3.51Å; E282-F285 VanDerWaalsContact CA-O 3.32Å; E282-F285 WeakPolarHBondContact CA-O 2.77Å; E282-F285 CarbonylContact O-C 2.92Å; E282-I287 HydrophobicContact CB-CG1 4.18Å; E282-I287 HydrophobicContact CG-CD1 4.15Å; E282-I287 HydrophobicContact CG-CG1 3.62Å |
| 283 | Q | 84 | Confident | 82.8 | Confident | 169 Ų | 169 | 69.9 Ų | 69.9 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75 | -33.9 | 175.6 | -75.3 | 178.1 | 18.4 | 0 | 0 | 113.1 | P279 I280 I281 | P279-Q283 VanDerWaalsContact O-CG 3.31Å; P279-Q283 WeakPolarHBondContact O-CG 3.22Å; P279-Q283 PolarHBondContact O-N 3.45Å; I280-Q283 PolarHBondContact O-N 3.14Å; I281-Q283 VanDerWaalsContact C-N 3.28Å; I281-Q283 PolarHBondContact O-N 3.32Å |
| 284 | I | 81.5 | Confident | 82.5 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 43% | 0.431 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.9 | -31.5 | 178.5 | -61 | 167.1 | 0 | 0 | 0 | 110.3 | L115 V116 L119 I280 I281 | L115-I284 HydrophobicContact CD2-CD1 4.29Å; V116-I284 HydrophobicContact CG2-CB 4.44Å; V116-I284 HydrophobicContact CG2-CG2 3.51Å; L119-I284 HydrophobicContact CD1-CD1 3.74Å; I280-I284 HydrophobicContact CG2-CD1 3.95Å; I280-I284 WeakPolarHBondContact O-CG1 3.33Å; I280-I284 PolarHBondContact O-N 3.19Å; I281-I284 PolarHBondContact O-N 3.06Å; I281-I284 VanDerWaalsContact O-N 3.15Å |
| 285 | F | 74.8 | Confident | 82.1 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -143.3 | 112.4 | -170.8 | -155.9 | -104.3 | 0 | 0 | 0 | 109.6 | V116 I281 E282 S289 I290 I291 | V116-F285 HydrophobicContact CG1-CB 4.22Å; V116-F285 HydrophobicContact CG1-CG 4.24Å; V116-F285 HydrophobicContact CG2-CB 4.46Å; I281-F285 WeakPolarHBondContact O-CA 3.41Å; I281-F285 PolarHBondContact O-N 2.87Å; I281-F285 VanDerWaalsContact O-O 3.13Å; E282-F285 CarbonylContact C-O 3.51Å; E282-F285 VanDerWaalsContact CA-O 3.32Å; E282-F285 WeakPolarHBondContact CA-O 2.77Å; E282-F285 CarbonylContact O-C 2.92Å; F285-S289 VanDerWaalsContact CE1-C 3.46Å; F285-S289 VanDerWaalsContact CE1-O 3.3Å; F285-S289 WeakPolarHBondContact CE1-O 3.35Å; F285-I290 VanDerWaalsContact CE1-C 3.45Å; F285-I290 WeakPolarHBondContact CE1-O 3.06Å; F285-I290 WeakPolarHBondContact CZ-O 3.48Å; F285-I291 HydrophobicContact CD1-CG1 3.92Å; F285-I291 HydrophobicContact CE1-CB 4.4Å; F285-I291 HydrophobicContact CE1-CG1 3.91Å |
| 286 | P | 67 | Low | 81.7 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | trans | -55.9 | 145.7 | -174.7 | -22.1 | 30 | 0 | 0 | 0 | 112.6 | D288 S289 | P286-D288 PolarHBondContact O-N 3.47Å; P286-D288 VanDerWaalsContact O-N 3.12Å; P286-S289 WeakPolarHBondContact O-CA 3.36Å; P286-S289 WeakPolarHBondContact O-CB 3.38Å; P286-S289 PolarHBondContact O-N 2.93Å; P286-S289 PolarHBondContact O-OG 2.9Å | ||
| 287 | I | 60.8 | Low | 81.3 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 64% | 0.641 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.4 | -177.7 | -66.2 | 164.2 | 0 | 0 | 0 | 112.8 | E282 S289 | E282-I287 HydrophobicContact CB-CG1 4.18Å; E282-I287 HydrophobicContact CG-CD1 4.15Å; E282-I287 HydrophobicContact CG-CG1 3.62Å; I287-S289 PolarHBondContact O-N 2.73Å |
| 288 | D | 61.8 | Low | 80.8 | Confident | 161 Ų | 161 | 76.4 Ų | 76.4 | 86% | 0.861 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.3 | -179.4 | -58.6 | -39.1 | 0 | 0 | 0 | 113.4 | P286 | P286-D288 PolarHBondContact O-N 3.47Å; P286-D288 VanDerWaalsContact O-N 3.12Å |
| 289 | S | 68.9 | Low | 80.3 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 34% | 0.343 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -88 | 132 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | F285 P286 I287 I291 | F285-S289 VanDerWaalsContact CE1-C 3.46Å; F285-S289 VanDerWaalsContact CE1-O 3.3Å; F285-S289 WeakPolarHBondContact CE1-O 3.35Å; P286-S289 WeakPolarHBondContact O-CA 3.36Å; P286-S289 WeakPolarHBondContact O-CB 3.38Å; P286-S289 PolarHBondContact O-N 2.93Å; P286-S289 PolarHBondContact O-OG 2.9Å; I287-S289 PolarHBondContact O-N 2.73Å; S289-I291 PolarHBondContact O-N 3.47Å |
| 290 | I | 75.4 | Confident | 80 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 70% | 0.703 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 120.5 | 173 | -60.1 | 173.5 | 0 | 0 | 0 | 107.9 | F285 Q292 | F285-I290 VanDerWaalsContact CE1-C 3.45Å; F285-I290 WeakPolarHBondContact CE1-O 3.06Å; F285-I290 WeakPolarHBondContact CZ-O 3.48Å; I290-Q292 PolarHBondContact O-N 3.42Å |
| 291 | I | 81.2 | Confident | 79.4 | Confident | 32 Ų | 32 | 79 Ų | 79 | 16% | 0.164 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -56 | 118.2 | 174.2 | -63.9 | 179.2 | 0 | 0 | 0 | 107.1 | V116 N120 R157 F285 S289 G293 | V116-I291 HydrophobicContact CG1-CD1 4.13Å; V116-I291 HydrophobicContact CG1-CG1 4.13Å; V116-I291 HydrophobicContact CG1-CG2 4.2Å; N120-I291 HydrophobicContact CB-CD1 3.75Å; R157-I291 WeakPolarHBondContact CD-O 3.47Å; R157-I291 WeakPolarHBondContact CG-O 3.44Å; F285-I291 HydrophobicContact CD1-CG1 3.92Å; F285-I291 HydrophobicContact CE1-CB 4.4Å; F285-I291 HydrophobicContact CE1-CG1 3.91Å; S289-I291 PolarHBondContact O-N 3.47Å; I291-G293 PolarHBondContact O-N 3.47Å |
| 292 | Q | 84.8 | Confident | 78.5 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 76% | 0.762 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -63 | 134.8 | -178.9 | -71.9 | -173.9 | -6.7 | 0 | 0 | 109.8 | N117 I290 | N117-Q292 PolarHBondContact ND2-O 3.3Å; I290-Q292 PolarHBondContact O-N 3.42Å |
| 293 | G | 87.4 | Confident | 77.3 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 159.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R155 I291 | R155-G293 CarbonylContact O-C 3.49Å; R155-G293 WeakPolarHBondContact O-CA 3.01Å; I291-G293 PolarHBondContact O-N 3.47Å |
| 294 | I | 90 | Very high | 75.9 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 122.7 | 174.5 | -63.2 | 149.8 | 0 | 0 | 0 | 107.2 | V111 Y113 N117 W121 R155 L156 I296 | V111-I294 HydrophobicContact CG1-CG2 3.54Å; Y113-I294 VanDerWaalsContact CB-CD1 3.46Å; N117-I294 HydrophobicContact CB-CD1 3.92Å; W121-I294 HydrophobicContact CH2-CD1 3.98Å; W121-I294 HydrophobicContact CZ2-CD1 3.52Å; R155-I294 PolarHBondContact O-N 3.47Å; L156-I294 HydrophobicContact CB-CD1 4.02Å; L156-I294 HydrophobicContact CD1-CB 4.1Å; L156-I294 HydrophobicContact CD1-CD1 3.81Å; L156-I294 HydrophobicContact CD1-CG2 4.33Å; I294-I296 PolarHBondContact O-N 2.78Å |
| 295 | D | 87 | Confident | 74.5 | Confident | 127 Ų | 127 | 76 Ų | 76 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 120 | 173.4 | -66.2 | -35.9 | 0 | 0 | 0 | 108.8 | R155 | R155-D295 WeakPolarHBondContact CD-OD1 3.45Š|
| 296 | I | 85.4 | Confident | 73 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 119.5 | 173.8 | -56.5 | 176.3 | 0 | 0 | 0 | 106.6 | C98 F108 V111 L156 I294 C300 L301 | C98-I296 HydrophobicContact CB-CD1 3.61Å; F108-I296 HydrophobicContact CD2-CG2 3.98Å; F108-I296 HydrophobicContact CE2-CD1 4.48Å; F108-I296 HydrophobicContact CE2-CG2 4.31Å; F108-I296 HydrophobicContact CG-CG2 4.42Å; V111-I296 HydrophobicContact CG2-CB 4.4Å; V111-I296 HydrophobicContact CG2-CG1 4.33Å; V111-I296 HydrophobicContact CG2-CG2 4.08Å; L156-I296 HydrophobicContact CD1-CD1 3.96Å; L156-I296 HydrophobicContact CD1-CG1 4.35Å; L156-I296 HydrophobicContact CD2-CD1 4.39Å; L156-I296 HydrophobicContact CG-CD1 4Å; I294-I296 PolarHBondContact O-N 2.78Å; I296-C300 HydrophobicContact CG2-CB 3.81Å; I296-L301 HydrophobicContact CB-CD1 4.5Å; I296-L301 HydrophobicContact CB-CD2 4.01Å; I296-L301 HydrophobicContact CB-CG 4.2Å; I296-L301 HydrophobicContact CD1-CD2 4.23Å; I296-L301 HydrophobicContact CG2-CD2 3.57Å; I296-L301 HydrophobicContact CG2-CG 3.79Å |
| 297 | P | 84.8 | Confident | 71.6 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 139.9 | 176.6 | -30.5 | 38.5 | 0 | 0 | 0 | 112.9 | D299 C300 L301 | P297-D299 WeakPolarHBondContact CB-OD1 3.34Å; P297-D299 PolarHBondContact O-N 2.92Å; P297-C300 VanDerWaalsContact O-CB 3.27Å; P297-C300 WeakPolarHBondContact O-CB 3.34Å; P297-C300 PolarHBondContact O-N 3.44Å; P297-L301 PolarHBondContact O-N 3.29Å |
| 298 | D | 82 | Confident | 72.1 | Confident | 120 Ų | 120 | 83.3 Ų | 83.3 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -29.9 | -176 | -77.5 | -33.1 | 0 | 0 | 0 | 113.2 | C300 L301 N302 | D298-C300 VanDerWaalsContact C-N 3.35Å; D298-L301 PolarHBondContact O-N 3Å; D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.26Å; D298-N302 VanDerWaalsContact O-CG 3.28Å; D298-N302 PolarHBondContact O-N 2.63Å; D298-N302 PolarHBondContact O-ND2 2.77Å |
| 299 | D | 80.8 | Confident | 72.6 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 60% | 0.599 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.8 | -37.3 | 174.8 | 61.4 | -27.8 | 0 | 0 | 0 | 111.9 | P297 F303 | P297-D299 WeakPolarHBondContact CB-OD1 3.34Å; P297-D299 PolarHBondContact O-N 2.92Å; D299-F303 WeakPolarHBondContact O-CB 3.2Å; D299-F303 PolarHBondContact O-N 3.41Å |
| 300 | C | 80.4 | Confident | 72.8 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 171.9 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | F108 I296 P297 D298 F303 | F108-C300 HydrophobicContact CB-CB 4.12Å; F108-C300 HydrophobicContact CD1-CB 3.55Å; F108-C300 HydrophobicContact CE1-CB 4.11Å; F108-C300 WeakPolarHBondContact CE1-O 3.46Å; F108-C300 HydrophobicContact CG-CB 3.85Å; I296-C300 HydrophobicContact CG2-CB 3.81Å; P297-C300 VanDerWaalsContact O-CB 3.27Å; P297-C300 WeakPolarHBondContact O-CB 3.34Å; P297-C300 PolarHBondContact O-N 3.44Å; D298-C300 VanDerWaalsContact C-N 3.35Å; C300-F303 WeakPolarHBondContact O-CB 3.16Å; C300-F303 PolarHBondContact O-N 2.74Å |
| 301 | L | 75.5 | Confident | 72.7 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 179 | -64.2 | -179.2 | 0 | 0 | 0 | 112.6 | N97 H99 I296 P297 D298 | N97-L301 WeakPolarHBondContact O-CD2 3.47Å; H99-L301 PolarHBondContact NE2-O 3.39Å; I296-L301 HydrophobicContact CB-CD1 4.5Å; I296-L301 HydrophobicContact CB-CD2 4.01Å; I296-L301 HydrophobicContact CB-CG 4.2Å; I296-L301 HydrophobicContact CD1-CD2 4.23Å; I296-L301 HydrophobicContact CG2-CD2 3.57Å; I296-L301 HydrophobicContact CG2-CG 3.79Å; P297-L301 PolarHBondContact O-N 3.29Å; D298-L301 PolarHBondContact O-N 3Å |
| 302 | N | 70.1 | Confident | 72.2 | Confident | 63 Ų | 63 | 80.4 Ų | 80.4 | 34% | 0.337 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -83.7 | -14.2 | 179.4 | -71.4 | -51 | 0 | 0 | 0 | 113.7 | D298 L304 K305 | D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.26Å; D298-N302 VanDerWaalsContact O-CG 3.28Å; D298-N302 PolarHBondContact O-N 2.63Å; D298-N302 PolarHBondContact O-ND2 2.77Å; N302-L304 PolarHBondContact O-N 2.64Å; N302-L304 VanDerWaalsContact O-N 3.15Å; N302-K305 WeakPolarHBondContact O-CB 3.45Å; N302-K305 PolarHBondContact O-N 3.18Å |
| 303 | F | 59.7 | Low | 71.3 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -51 | -40.6 | -179.5 | -175.9 | -105.2 | 0 | 0 | 0 | 111.8 | D299 C300 K305 K306 L307 | D299-F303 WeakPolarHBondContact O-CB 3.2Å; D299-F303 PolarHBondContact O-N 3.41Å; C300-F303 WeakPolarHBondContact O-CB 3.16Å; C300-F303 PolarHBondContact O-N 2.74Å; F303-K305 PolarHBondContact O-N 2.86Å; F303-K306 PolarHBondContact O-N 3.34Å; F303-L307 HydrophobicContact CD1-CD1 4.19Å; F303-L307 HydrophobicContact CE1-CD1 3.73Å; F303-L307 HydrophobicContact CZ-CD1 4.31Å |
| 304 | L | 53.6 | Low | 70.2 | Confident | 27 Ų | 27 | 78.8 Ų | 78.8 | 14% | 0.141 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.9 | 179.8 | -72.3 | 166.4 | 0 | 0 | 0 | 114.9 | H99 N302 K306 L307 | H99-L304 WeakPolarHBondContact CE1-CD1 3.27Å; H99-L304 WeakPolarHBondContact ND1-CD1 3.25Å; N302-L304 PolarHBondContact O-N 2.64Å; N302-L304 VanDerWaalsContact O-N 3.15Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-L307 HydrophobicContact CD2-CD1 4.07Å |
| 305 | K | 53.9 | Low | 68.7 | Low | 94 Ų | 94 | 84 Ų | 84 | 41% | 0.409 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.5 | 169 | -67.6 | -179.1 | -178.3 | 168.3 | 0 | 112.6 | F26 N302 F303 | F26-K305 WeakPolarHBondContact CD1-O 3.07Å; F26-K305 WeakPolarHBondContact CE1-O 3.18Å; N302-K305 WeakPolarHBondContact O-CB 3.45Å; N302-K305 PolarHBondContact O-N 3.18Å; F303-K305 PolarHBondContact O-N 2.86Å |
| 306 | K | 42.4 | Very low | 67.1 | Low | 185 Ų | 185 | 80.4 Ų | 80.4 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | trans | -97.9 | -15.7 | -177.6 | -69.1 | -176.9 | 178.9 | 176.4 | 0 | 113.7 | F303 L304 | F303-K306 PolarHBondContact O-N 3.34Å; L304-K306 VanDerWaalsContact C-N 3.29Å | ||
| 307 | L | 36.9 | Very low | 65.5 | Low | 143 Ų | 143 | 86.1 Ų | 86.1 | 75% | 0.749 | 43% | 0.43 | S | S | * | . | trans | -83.9 | 0 | 172.9 | -70.1 | 173.2 | 0 | 0 | 0 | 110.5 | F303 L304 | F303-L307 HydrophobicContact CD1-CD1 4.19Å; F303-L307 HydrophobicContact CE1-CD1 3.73Å; F303-L307 HydrophobicContact CZ-CD1 4.31Å; L304-L307 HydrophobicContact CD2-CD1 4.07Å |
Retrieved 307 of 307 residues in 101.3 ms
(Link to these results)